*HEADER    TOXIN                                   09-NOV-17   6BL9              
*TITLE     NMR SOLUTION STRUCTURE OF U-SLPTX15-SM2A                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SM2A TOXIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SCOLOPENDRA MORSITANS;                          
*SOURCE   4 ORGANISM_TAXID: 943129                                               
*KEYWDS    SCORPION TOXIN CSAB FOLD, TOXIN                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.J.HARVEY,D.J.CRAIK,T.DUREK,T.J.DASH                                 
*REVDAT   1   14-NOV-18 6BL9    0                                                
# Restraints file 1: SM1pdb.restraints
!distance restraints
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.420    0.620    0.620  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.370    0.570    0.570  
assign (resid   5 and name   HA)   (resid   6 and name  HD2)   2.505    0.705    0.705  
assign (resid   5 and name   HA)   (resid   6 and name  HD1)   2.505    0.705    0.705  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.450    0.650    0.650  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   3.265    1.465    1.465  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.390    0.590    0.590  
assign (resid  37 and name   HA)   (resid  38 and name   HN)   2.350    0.550    0.550  
assign (resid  35 and name   HA)   (resid  36 and name   HN)   2.440    0.640    0.640  
assign (resid  34 and name   HN)   (resid  35 and name   HN)   2.605    0.805    0.805  
assign (resid  33 and name   HN)   (resid  34 and name   HN)   2.625    0.825    0.825  
assign (resid  32 and name   HN)   (resid  33 and name   HN)   2.710    0.910    0.910  
assign (resid  31 and name   HN)   (resid  32 and name   HN)   3.225    1.425    1.425  
assign (resid  31 and name   HA)   (resid  32 and name   HN)   2.380    0.580    0.580  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   2.715    0.915    0.915  
assign (resid  29 and name   HN)   (resid  30 and name   HN)   2.750    0.950    0.950  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   2.780    0.980    0.980  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   2.615    0.815    0.815  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.700    0.900    0.900  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.715    0.915    0.915  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   2.640    0.840    0.840  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.825    1.025    1.025  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.400    0.600    0.600  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   3.405    1.605    1.605  
assign (resid  38 and name   HA)   (resid  39 and name   HN)   2.410    0.610    0.610  
assign (resid  39 and name   HA)   (resid  40 and name   HN)   2.595    0.795    0.795  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.410    0.610    0.610  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   2.545    0.745    0.745  
assign (resid  52 and name   HN)   (resid  53 and name   HN)   2.685    0.885    0.885  
assign (resid  50 and name   HA)   (resid  51 and name   HN)   2.415    0.615    0.615  
assign (resid  50 and name   HN)   (resid  51 and name   HN)   3.425    1.625    1.625  
assign (resid  49 and name   HA)   (resid  50 and name   HN)   2.415    0.615    0.615  
assign (resid  47 and name   HA)   (resid  48 and name   HN)   2.420    0.620    0.620  
assign (resid  46 and name   HA)   (resid  47 and name   HN)   2.470    0.670    0.670  
assign (resid  45 and name   HA)   (resid  46 and name   HN)   2.420    0.620    0.620  
assign (resid  43 and name   HA)   (resid  44 and name   HN)   2.425    0.625    0.625  
assign (resid  42 and name   HA)   (resid  43 and name   HN)   2.365    0.565    0.565  
assign (resid  13 and name   HA)   (resid  14 and name  HD2)   2.695    0.895    0.895  
assign (resid  13 and name   HA)   (resid  14 and name  HD1)   2.695    0.895    0.895  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.840    1.040    1.040  
assign (resid   9 and name  HB2)   (resid   9 and name  HD2)   2.750    0.950    0.950  
assign (resid  13 and name   HA)   (resid  13 and name HD21)   2.950    1.150    1.150  
assign (resid  38 and name   HA)   (resid  47 and name   HN)   3.340    1.540    1.540  
assign (resid  20 and name   HA)   (resid  24 and name   HN)   3.180    1.380    1.380  
assign (resid  18 and name   HA)   (resid  21 and name   HN)   3.055    1.255    1.255  
assign (resid  20 and name   HA)   (resid  22 and name   HN)   3.565    1.765    1.765  
assign (resid  24 and name   HA)   (resid  28 and name   HN)   2.880    1.080    1.080  
assign (resid  24 and name   HA)   (resid  27 and name   HN)   3.135    1.335    1.335  
assign (resid   6 and name   HA)   (resid  47 and name   HN)   3.650    1.850    1.850  
assign (resid  40 and name   HA)   (resid  41 and name   HN)   2.540    0.740    0.740  
assign (resid  38 and name   HA)   (resid  49 and name   HN)   3.010    1.210    1.210  
assign (resid  13 and name   HA)   (resid  44 and name   HN)   3.555    1.755    1.755  
assign (resid  23 and name   HA)   (resid  27 and name   HN)   3.310    1.510    1.510  
assign (resid   9 and name   HN)   (resid  44 and name   HA)   3.340    1.540    1.540  
assign (resid  44 and name   HA)   (resid  44 and name  HD#)   2.615    0.815    0.815  
assign (resid  49 and name  HB2)   (resid  49 and name  HD2)   2.865    1.065    1.065  
assign (resid  40 and name   HA)   (resid  40 and name HD22)   2.910    1.110    1.110  
assign (resid  13 and name   HA)   (resid  40 and name HD22)   2.960    1.160    1.160  
assign (resid  40 and name HD22)   (resid  43 and name   HA)   2.975    1.175    1.175  
assign (resid  40 and name HD22)   (resid  44 and name   HN)   3.105    1.305    1.305  
assign (resid  13 and name HD21)   (resid  40 and name HD22)   3.375    1.575    1.575  
assign (resid  40 and name HD22)   (resid  41 and name   HN)   3.395    1.595    1.595  
assign (resid  40 and name HD22)   (resid  42 and name   HN)   3.080    1.280    1.280  
assign (resid  39 and name   HN)   (resid  47 and name   HN)   2.770    0.970    0.970  
assign (resid  12 and name  HG2)   (resid  44 and name   HN)   3.440    1.640    1.640  
assign (resid  12 and name   HA)   (resid  44 and name   HN)   2.590    0.790    0.790  
assign (resid  43 and name  HB1)   (resid  44 and name   HN)   2.975    1.175    1.175  
assign (resid  43 and name  HB2)   (resid  44 and name   HN)   3.150    1.350    1.350  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.720    0.920    0.920  
assign (resid  16 and name   HA)   (resid  19 and name   HN)   2.920    1.120    1.120  
assign (resid  25 and name   HN)   (resid  27 and name   HN)   3.455    1.655    1.655  
assign (resid  27 and name   HN)   (resid  29 and name   HN)   3.625    1.825    1.825  
assign (resid  27 and name  HB1)   (resid  28 and name   HN)   3.275    1.475    1.475  
assign (resid  27 and name  HB2)   (resid  28 and name   HN)   3.275    1.475    1.475  
assign (resid  26 and name  HB#)   (resid  27 and name   HN)   2.575    0.775    0.775  
assign (resid   9 and name  HD2)   (resid  22 and name  HB#)   2.345    0.545    0.545  
assign (resid  40 and name   HA)   (resid  40 and name HD21)   2.555    0.755    0.755  
assign (resid  46 and name   HN)   (resid  46 and name  HB2)   2.680    0.880    0.880  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   2.775    0.975    0.975  
assign (resid  45 and name  HD#)   (resid  46 and name   HN)   2.680    0.880    0.880  
assign (resid   6 and name   HA)   (resid  47 and name   HA)   2.550    0.750    0.750  
assign (resid   4 and name   HA)   (resid  49 and name   HA)   2.760    0.960    0.960  
assign (resid  38 and name   HA)   (resid  48 and name   HA)   2.775    0.975    0.975  
assign (resid   2 and name   HA)   (resid  51 and name   HA)   2.650    0.850    0.850  
assign (resid   8 and name   HA)   (resid  45 and name   HA)   2.600    0.800    0.800  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.360    0.560    0.560  
assign (resid  48 and name   HA)   (resid  49 and name   HN)   2.450    0.650    0.650  
assign (resid   4 and name   HA)   (resid  50 and name   HN)   3.010    1.210    1.210  
assign (resid   7 and name   HN)   (resid  47 and name   HA)   2.995    1.195    1.195  
assign (resid   8 and name   HA)   (resid  46 and name   HN)   2.985    1.185    1.185  
assign (resid  33 and name   HN)   (resid  33 and name  HB1)   2.795    0.995    0.995  
assign (resid  23 and name  HB2)   (resid  24 and name   HN)   2.680    0.880    0.880  
assign (resid  19 and name  HB1)   (resid  20 and name   HN)   2.980    1.180    1.180  
assign (resid  19 and name  HB2)   (resid  20 and name   HN)   2.770    0.970    0.970  
assign (resid  19 and name  HB1)   (resid  38 and name   HA)   3.210    1.410    1.410  
assign (resid  19 and name  HB2)   (resid  38 and name   HA)   3.585    1.785    1.785  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   3.005    1.205    1.205  
assign (resid  47 and name   HN)   (resid  47 and name  HB1)   2.710    0.910    0.910  
assign (resid  47 and name   HN)   (resid  47 and name  HB2)   2.805    1.005    1.005  
assign (resid  40 and name   HN)   (resid  40 and name  HB2)   2.885    1.085    1.085  
assign (resid  19 and name   HN)   (resid  19 and name  HB1)   2.785    0.985    0.985  
assign (resid  19 and name   HN)   (resid  19 and name  HB2)   2.565    0.765    0.765  
assign (resid  21 and name   HA)   (resid  32 and name HE22)   3.115    1.315    1.315  
assign (resid  10 and name   HA)   (resid  44 and name  HD#)   3.050    1.250    1.250  
assign (resid  49 and name   HN)   (resid  49 and name  HB1)   2.885    1.085    1.085  
assign (resid  49 and name   HN)   (resid  49 and name  HB2)   2.695    0.895    0.895  
assign (resid  27 and name   HN)   (resid  27 and name  HB2)   2.855    1.055    1.055  
assign (resid  27 and name   HN)   (resid  27 and name  HB1)   2.855    1.055    1.055  
assign (resid  23 and name   HA)   (resid  27 and name  HD#)   2.930    1.130    1.130  
assign (resid  23 and name   HA)   (resid  27 and name  HE#)   3.000    1.200    1.200  
assign (resid  27 and name  HE#)   (resid  50 and name HD1#)   2.840    1.040    1.040  
assign (resid  27 and name  HE#)   (resid  48 and name  HB2)   2.715    0.915    0.915  
assign (resid  27 and name   HA)   (resid  27 and name  HD#)   2.485    0.685    0.685  
assign (resid  27 and name   HA)   (resid  27 and name  HE#)   3.055    1.255    1.255  
assign (resid  41 and name   HN)   (resid  41 and name  HB1)   2.905    1.105    1.105  
assign (resid  41 and name   HN)   (resid  41 and name  HB2)   2.905    1.105    1.105  
assign (resid  45 and name   HN)   (resid  45 and name  HB2)   2.880    1.080    1.080  
assign (resid  45 and name   HN)   (resid  45 and name  HB1)   2.880    1.080    1.080  
assign (resid  41 and name  HE#)   (resid  42 and name  HG1)   3.550    1.750    1.750  
assign (resid  32 and name   HN)   (resid  32 and name  HB1)   2.825    1.025    1.025  
assign (resid  32 and name   HN)   (resid  32 and name  HG1)   2.700    0.900    0.900  
assign (resid  32 and name   HN)   (resid  32 and name  HB2)   2.825    1.025    1.025  
assign (resid  32 and name   HN)   (resid  32 and name  HG2)   2.700    0.900    0.900  
assign (resid  21 and name  HB2)   (resid  32 and name HE21)   2.930    1.130    1.130  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.955    1.155    1.155  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.955    1.155    1.155  
assign (resid  47 and name  HB1)   (resid  47 and name HD22)   2.905    1.105    1.105  
assign (resid  21 and name  HB2)   (resid  32 and name HE22)   3.015    1.215    1.215  
assign (resid  47 and name  HB1)   (resid  47 and name HD21)   2.905    1.105    1.105  
assign (resid  27 and name   HN)   (resid  27 and name  HD#)   2.885    1.085    1.085  
assign (resid  16 and name   HA)   (resid  19 and name  HB2)   2.740    0.940    0.940  
assign (resid  20 and name   HA)   (resid  23 and name   HN)   2.970    1.170    1.170  
assign (resid  16 and name   HA)   (resid  20 and name   HN)   3.025    1.225    1.225  
assign (resid  20 and name   HN)   (resid  20 and name  HB2)   2.720    0.920    0.920  
assign (resid  20 and name   HN)   (resid  20 and name  HB1)   2.720    0.920    0.920  
assign (resid  16 and name   HA)   (resid  19 and name  HB1)   3.125    1.325    1.325  
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.425    0.625    0.625  
assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.530    0.730    0.730  
assign (resid   3 and name   HN)   (resid   3 and name   HB)   2.945    1.145    1.145  
assign (resid   3 and name   HN)   (resid   3 and name HG2#)   2.935    1.135    1.135  
assign (resid   5 and name   HN)   (resid  50 and name HD1#)   2.990    1.190    1.190  
assign (resid  49 and name   HN)   (resid  50 and name HD1#)   3.650    1.850    1.850  
assign (resid  50 and name HD1#)   (resid  51 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name   HN)   (resid  50 and name HD1#)   3.535    1.735    1.735  
assign (resid  48 and name   HN)   (resid  50 and name HD1#)   3.485    1.685    1.685  
assign (resid  50 and name   HN)   (resid  50 and name HD1#)   2.955    1.155    1.155  
assign (resid  20 and name   HA)   (resid  23 and name  HB1)   3.020    1.220    1.220  
assign (resid  43 and name   HN)   (resid  43 and name  HB2)   2.570    0.770    0.770  
assign (resid   5 and name  HB1)   (resid  50 and name HD1#)   2.620    0.820    0.820  
assign (resid  50 and name   HB)   (resid  50 and name HD1#)   2.765    0.965    0.965  
assign (resid  50 and name HG2#)   (resid  50 and name HD1#)   2.525    0.725    0.725  
assign (resid  50 and name   HA)   (resid  50 and name HG2#)   2.570    0.770    0.770  
assign (resid  50 and name   HN)   (resid  50 and name HG11)   2.800    1.000    1.000  
assign (resid  50 and name   HN)   (resid  50 and name   HB)   2.555    0.755    0.755  
assign (resid  48 and name  HB2)   (resid  50 and name HD1#)   2.670    0.870    0.870  
assign (resid   7 and name   HN)   (resid   7 and name HG11)   2.960    1.160    1.160  
assign (resid   7 and name HG11)   (resid  46 and name   HN)   3.145    1.345    1.345  
assign (resid  28 and name  HB#)   (resid  29 and name   HN)   3.015    1.215    1.215  
assign (resid   7 and name   HN)   (resid   7 and name HG12)   2.810    1.010    1.010  
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   2.905    1.105    1.105  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   2.905    1.105    1.105  
assign (resid   7 and name   HB)   (resid   8 and name   HN)   2.770    0.970    0.970  
assign (resid   7 and name   HB)   (resid  27 and name  HD#)   3.545    1.745    1.745  
assign (resid   7 and name   HB)   (resid  27 and name  HE#)   2.810    1.010    1.010  
assign (resid  12 and name   HA)   (resid  44 and name  HD#)   2.765    0.965    0.965  
assign (resid  12 and name   HA)   (resid  44 and name  HE#)   2.820    1.020    1.020  
assign (resid  37 and name   HN)   (resid  49 and name  HB1)   2.820    1.020    1.020  
assign (resid  37 and name   HN)   (resid  49 and name  HB2)   2.615    0.815    0.815  
assign (resid  35 and name   HA)   (resid  37 and name   HN)   3.100    1.300    1.300  
assign (resid  35 and name HG2#)   (resid  37 and name   HN)   2.635    0.835    0.835  
assign (resid  37 and name   HN)   (resid  49 and name   HN)   3.015    1.215    1.215  
assign (resid  35 and name   HA)   (resid  51 and name   HN)   3.210    1.410    1.410  
assign (resid   3 and name   HN)   (resid  49 and name   HA)   3.310    1.510    1.510  
assign (resid   2 and name   HA)   (resid   3 and name   HB)   3.645    1.845    1.845  
assign (resid   1 and name  HB2)   (resid   2 and name   HN)   3.490    1.690    1.690  
assign (resid   1 and name  HB1)   (resid   2 and name   HN)   3.490    1.690    1.690  
assign (resid   2 and name   HA)   (resid  52 and name   HB)   3.465    1.665    1.665  
assign (resid   2 and name   HA)   (resid   2 and name  HG2)   2.935    1.135    1.135  
assign (resid   2 and name   HA)   (resid   2 and name  HG1)   2.935    1.135    1.135  
assign (resid  12 and name  HG1)   (resid  44 and name  HD#)   3.325    1.525    1.525  
assign (resid  12 and name  HG1)   (resid  44 and name  HE#)   2.895    1.095    1.095  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.920    1.120    1.120  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.355    0.555    0.555  
assign (resid  16 and name   HA)   (resid  16 and name  HG2)   2.890    1.090    1.090  
assign (resid  16 and name   HA)   (resid  16 and name  HG1)   2.890    1.090    1.090  
assign (resid  40 and name   HN)   (resid  40 and name  HB1)   2.885    1.085    1.085  
assign (resid  52 and name   HA)   (resid  52 and name HG2#)   2.520    0.720    0.720  
assign (resid  52 and name   HA)   (resid  52 and name HD1#)   2.865    1.065    1.065  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   2.955    1.155    1.155  
assign (resid  20 and name   HA)   (resid  20 and name  HG1)   2.825    1.025    1.025  
assign (resid  20 and name   HA)   (resid  20 and name  HG2)   2.825    1.025    1.025  
assign (resid   7 and name   HB)   (resid   7 and name HD1#)   2.665    0.865    0.865  
assign (resid  36 and name  HB#)   (resid  37 and name   HN)   2.535    0.735    0.735  
assign (resid   5 and name  HB2)   (resid  50 and name HD1#)   2.565    0.765    0.765  
assign (resid  51 and name   HN)   (resid  51 and name HG2#)   2.895    1.095    1.095  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.520    0.720    0.720  
assign (resid  12 and name   HA)   (resid  12 and name  HG1)   2.700    0.900    0.900  
assign (resid  12 and name   HA)   (resid  12 and name  HG2)   2.825    1.025    1.025  
assign (resid  52 and name   HN)   (resid  52 and name HG12)   2.915    1.115    1.115  
assign (resid  25 and name   HN)   (resid  25 and name  HB2)   2.755    0.955    0.955  
assign (resid  25 and name   HN)   (resid  25 and name  HB1)   2.755    0.955    0.955  
assign (resid  46 and name  HB1)   (resid  47 and name   HN)   2.920    1.120    1.120  
assign (resid   6 and name   HA)   (resid  41 and name  HD#)   3.205    1.405    1.405  
assign (resid  45 and name   HA)   (resid  45 and name  HD#)   2.760    0.960    0.960  
assign (resid  41 and name  HD#)   (resid  47 and name   HA)   3.640    1.840    1.840  
assign (resid  38 and name   HA)   (resid  49 and name  HD2)   2.750    0.950    0.950  
assign (resid  13 and name HD22)   (resid  40 and name HD22)   3.375    1.575    1.575  
assign (resid  13 and name   HA)   (resid  13 and name HD22)   2.950    1.150    1.150  
assign (resid  45 and name   HA)   (resid  45 and name  HE#)   3.475    1.675    1.675  
assign (resid   6 and name   HA)   (resid  48 and name   HN)   2.850    1.050    1.050  
assign (resid   2 and name   HA)   (resid  52 and name   HN)   2.745    0.945    0.945  
assign (resid   5 and name   HN)   (resid  47 and name   HA)   3.430    1.630    1.630  
assign (resid  40 and name HD22)   (resid  45 and name   HN)   2.965    1.165    1.165  
assign (resid  39 and name   HN)   (resid  46 and name   HA)   3.475    1.675    1.675  
assign (resid   9 and name   HN)   (resid  45 and name   HA)   2.850    1.050    1.050  
assign (resid   9 and name  HB1)   (resid  11 and name   HN)   3.205    1.405    1.405  
assign (resid  11 and name   HN)   (resid  44 and name  HD#)   3.460    1.660    1.660  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   3.015    1.215    1.215  
assign (resid  46 and name  HB2)   (resid  47 and name   HN)   3.155    1.355    1.355  
assign (resid  43 and name   HN)   (resid  43 and name  HB1)   2.765    0.965    0.965  
assign (resid  35 and name   HB)   (resid  36 and name   HN)   3.245    1.445    1.445  
assign (resid   8 and name   HN)   (resid   8 and name  HD2)   3.650    1.850    1.850  
assign (resid   8 and name   HN)   (resid   8 and name  HD1)   3.650    1.850    1.850  
assign (resid  14 and name  HD2)   (resid  40 and name HD21)   3.025    1.225    1.225  
assign (resid  14 and name  HD1)   (resid  40 and name HD21)   3.025    1.225    1.225  
assign (resid  19 and name  HB1)   (resid  39 and name   HN)   3.325    1.525    1.525  
assign (resid  39 and name   HN)   (resid  47 and name  HB1)   3.430    1.630    1.630  
assign (resid  39 and name   HN)   (resid  46 and name  HB1)   3.420    1.620    1.620  
assign (resid  19 and name  HB2)   (resid  39 and name   HN)   3.245    1.445    1.445  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   3.200    1.400    1.400  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   3.175    1.375    1.375  
assign (resid  44 and name  HB2)   (resid  45 and name  HD#)   3.090    1.290    1.290  
assign (resid  41 and name  HE#)   (resid  45 and name  HB2)   3.470    1.670    1.670  
assign (resid  48 and name  HB1)   (resid  49 and name  HD2)   3.485    1.685    1.685  
assign (resid  41 and name  HD#)   (resid  47 and name  HB2)   2.830    1.030    1.030  
assign (resid  27 and name  HD#)   (resid  50 and name HD1#)   2.800    1.000    1.000  
assign (resid   5 and name  HB2)   (resid  27 and name  HE#)   3.330    1.530    1.530  
assign (resid   7 and name HG2#)   (resid  27 and name  HE#)   2.560    0.760    0.760  
assign (resid  42 and name  HG1)   (resid  45 and name  HD#)   3.100    1.300    1.300  
assign (resid  34 and name   HN)   (resid  35 and name HD1#)   3.555    1.755    1.755  
assign (resid  49 and name   HN)   (resid  50 and name HG2#)   3.650    1.850    1.850  
assign (resid  35 and name HD1#)   (resid  36 and name   HN)   2.895    1.095    1.095  
assign (resid  52 and name   HN)   (resid  52 and name HG11)   2.915    1.115    1.115  
assign (resid  51 and name HG2#)   (resid  52 and name   HN)   2.755    0.955    0.955  
assign (resid  52 and name   HN)   (resid  52 and name HG2#)   2.915    1.115    1.115  
assign (resid  52 and name   HN)   (resid  52 and name HD1#)   3.185    1.385    1.385  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.915    1.115    1.115  
assign (resid  52 and name HD1#)   (resid  53 and name   HN)   3.340    1.540    1.540  
assign (resid  27 and name   HN)   (resid  35 and name HD1#)   3.615    1.815    1.815  
assign (resid  33 and name   HN)   (resid  33 and name  HB2)   2.795    0.995    0.995  
assign (resid  22 and name   HA)   (resid  24 and name   HN)   3.400    1.600    1.600  
assign (resid   3 and name   HB)   (resid   4 and name   HN)   2.995    1.195    1.195  
assign (resid   9 and name  HE1)   (resid  14 and name   HA)   3.410    1.610    1.610  
assign (resid  33 and name   HA)   (resid  35 and name   HN)   3.170    1.370    1.370  
assign (resid  24 and name   HA)   (resid  26 and name   HN)   3.425    1.625    1.625  
assign (resid  25 and name   HA)   (resid  31 and name   HN)   3.385    1.585    1.585  
assign (resid  51 and name   HA)   (resid  52 and name   HN)   2.355    0.555    0.555  
assign (resid  26 and name   HA)   (resid  28 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name  HB1)   (resid  27 and name  HE#)   2.965    1.165    1.165  
assign (resid  34 and name  HB1)   (resid  35 and name   HN)   3.265    1.465    1.465  
assign (resid  27 and name   HN)   (resid  28 and name  HB#)   3.350    1.550    1.550  
assign (resid   3 and name HG2#)   (resid  50 and name   HN)   3.570    1.770    1.770  
assign (resid   5 and name  HB2)   (resid  50 and name   HN)   3.650    1.850    1.850  
assign (resid  50 and name   HN)   (resid  50 and name HG2#)   3.065    1.265    1.265  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.405    0.605    0.605  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.390    0.590    0.590  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.550    0.750    0.750  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   2.880    1.080    1.080  
assign (resid  15 and name   HN)   (resid  15 and name  HB1)   2.880    1.080    1.080  
assign (resid   9 and name   HN)   (resid  44 and name  HB1)   3.215    1.415    1.415  
assign (resid  12 and name  HG1)   (resid  44 and name   HN)   3.555    1.755    1.755  
assign (resid   4 and name  HB1)   (resid  47 and name   HA)   3.350    1.550    1.550  
assign (resid   5 and name  HB1)   (resid  47 and name   HA)   3.650    1.850    1.850  
assign (resid  49 and name   HA)   (resid  50 and name   HB)   3.650    1.850    1.850  
assign (resid  48 and name  HB1)   (resid  50 and name HD1#)   3.150    1.350    1.350  
assign (resid  20 and name   HA)   (resid  35 and name HG2#)   2.655    0.855    0.855  
assign (resid  20 and name   HA)   (resid  38 and name  HB#)   2.560    0.760    0.760  
assign (resid  35 and name HG2#)   (resid  36 and name   HN)   2.600    0.800    0.800  
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.330    0.530    0.530  
assign (resid  28 and name  HB#)   (resid  31 and name   HN)   2.755    0.955    0.955  
assign (resid  24 and name  HB#)   (resid  32 and name HE21)   3.245    1.445    1.445  
assign (resid  24 and name  HB#)   (resid  31 and name   HN)   2.930    1.130    1.130  
assign (resid  50 and name HG2#)   (resid  51 and name   HN)   2.685    0.885    0.885  
assign (resid  35 and name HD1#)   (resid  51 and name   HN)   3.480    1.680    1.680  
assign (resid  32 and name  HB2)   (resid  33 and name   HN)   3.170    1.370    1.370  
assign (resid  32 and name  HB1)   (resid  33 and name   HN)   3.170    1.370    1.370  
assign (resid  22 and name   HN)   (resid  22 and name  HB#)   2.385    0.585    0.585  
assign (resid  52 and name   HB)   (resid  53 and name   HN)   2.620    0.820    0.820  
assign (resid  38 and name  HB#)   (resid  39 and name   HN)   2.695    0.895    0.895  
assign (resid   3 and name HG2#)   (resid   4 and name   HN)   2.900    1.100    1.100  
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.425    0.625    0.625  
assign (resid  42 and name   HN)   (resid  42 and name  HG1)   3.335    1.535    1.535  
assign (resid  48 and name   HN)   (resid  48 and name  HB2)   2.680    0.880    0.880  
assign (resid   5 and name   HN)   (resid  48 and name  HB2)   2.920    1.120    1.120  
assign (resid  23 and name   HN)   (resid  23 and name  HB2)   2.540    0.740    0.740  
assign (resid   8 and name   HA)   (resid  45 and name  HD#)   2.890    1.090    1.090  
assign (resid  32 and name   HA)   (resid  35 and name   HN)   3.045    1.245    1.245  
assign (resid  32 and name   HA)   (resid  34 and name   HN)   3.070    1.270    1.270  
assign (resid   5 and name   HN)   (resid  49 and name   HA)   3.040    1.240    1.240  
assign (resid   7 and name HD1#)   (resid   8 and name   HN)   2.850    1.050    1.050  
assign (resid   7 and name HG2#)   (resid   8 and name   HN)   3.015    1.215    1.215  
assign (resid  35 and name HG2#)   (resid  49 and name   HN)   2.870    1.070    1.070  
assign (resid  38 and name  HB#)   (resid  49 and name   HN)   2.830    1.030    1.030  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   2.545    0.745    0.745  
assign (resid  38 and name   HN)   (resid  38 and name  HB#)   2.635    0.835    0.835  
assign (resid  51 and name   HN)   (resid  51 and name   HB)   2.555    0.755    0.755  
assign (resid  41 and name   HN)   (resid  42 and name   HN)   2.650    0.850    0.850  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   2.670    0.870    0.870  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.735    0.935    0.935  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   2.510    0.710    0.710  
assign (resid  40 and name HD21)   (resid  41 and name   HN)   2.875    1.075    1.075  
assign (resid  45 and name   HN)   (resid  45 and name  HD#)   2.990    1.190    1.190  
assign (resid  42 and name   HN)   (resid  45 and name   HN)   3.230    1.430    1.430  
assign (resid  12 and name   HN)   (resid  44 and name  HE#)   3.090    1.290    1.290  
assign (resid  49 and name   HN)   (resid  49 and name  HD2)   2.675    0.875    0.875  
assign (resid  36 and name   HN)   (resid  37 and name   HN)   2.580    0.780    0.780  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.210    1.410    1.410  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.805    1.005    1.005  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   2.740    0.940    0.940  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   2.665    0.865    0.865  
assign (resid   3 and name   HN)   (resid  50 and name   HN)   2.830    1.030    1.030  
assign (resid  44 and name   HN)   (resid  45 and name   HN)   2.855    1.055    1.055  
assign (resid  40 and name HD21)   (resid  44 and name   HN)   3.455    1.655    1.655  
assign (resid  43 and name   HN)   (resid  44 and name   HN)   3.310    1.510    1.510  
assign (resid  47 and name   HN)   (resid  48 and name   HN)   3.460    1.660    1.660  
assign (resid   7 and name   HN)   (resid  48 and name   HN)   3.325    1.525    1.525  
assign (resid  41 and name   HN)   (resid  47 and name   HN)   3.120    1.320    1.320  
assign (resid  44 and name   HN)   (resid  44 and name  HD#)   3.010    1.210    1.210  
assign (resid   7 and name   HN)   (resid   7 and name HD1#)   3.420    1.620    1.620  
assign (resid   7 and name HD1#)   (resid  46 and name   HN)   3.525    1.725    1.725  
assign (resid   7 and name   HN)   (resid   7 and name HG2#)   2.615    0.815    0.815  
assign (resid  42 and name  HG1)   (resid  43 and name   HN)   3.275    1.475    1.475  
assign (resid  12 and name   HN)   (resid  12 and name  HG1)   3.250    1.450    1.450  
assign (resid  28 and name   HN)   (resid  35 and name HD1#)   3.650    1.850    1.850  
assign (resid  26 and name  HB#)   (resid  28 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name  HD2)   (resid  14 and name  HB1)   3.650    1.850    1.850  
assign (resid   7 and name HG11)   (resid   9 and name  HD2)   3.650    1.850    1.850  
assign (resid   9 and name  HD2)   (resid  14 and name  HB2)   3.650    1.850    1.850  
assign (resid   9 and name  HD2)   (resid  14 and name  HG2)   3.650    1.850    1.850  
assign (resid   9 and name  HD2)   (resid  14 and name  HG1)   3.650    1.850    1.850  
assign (resid   7 and name HD1#)   (resid   9 and name  HD2)   3.280    1.480    1.480  
assign (resid  21 and name  HD2)   (resid  32 and name HE21)   3.420    1.620    1.620  
assign (resid  21 and name  HD1)   (resid  32 and name HE21)   3.420    1.620    1.620  
assign (resid   3 and name   HB)   (resid  50 and name HD1#)   3.380    1.580    1.580  
assign (resid   3 and name HG2#)   (resid   4 and name   HA)   3.610    1.810    1.810  
assign (resid   4 and name   HA)   (resid   5 and name  HB2)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid   7 and name HG2#)   3.215    1.415    1.415  
assign (resid  35 and name HG2#)   (resid  38 and name   HA)   3.240    1.440    1.440  
assign (resid   7 and name HD1#)   (resid  45 and name   HA)   3.450    1.650    1.650  
assign (resid   2 and name   HA)   (resid  52 and name HD1#)   3.350    1.550    1.550  
assign (resid   4 and name  HB1)   (resid  49 and name   HA)   3.650    1.850    1.850  
assign (resid   7 and name HG12)   (resid  47 and name   HA)   3.310    1.510    1.510  
assign (resid   7 and name HG11)   (resid  45 and name   HA)   3.310    1.510    1.510  
assign (resid   8 and name  HB1)   (resid  45 and name   HA)   3.630    1.830    1.830  
assign (resid   6 and name   HA)   (resid  47 and name  HB2)   3.350    1.550    1.550  
assign (resid   6 and name   HA)   (resid   7 and name HG11)   3.495    1.695    1.695  
assign (resid   6 and name   HA)   (resid   7 and name HG12)   3.460    1.660    1.660  
assign (resid  45 and name   HA)   (resid  46 and name  HB2)   3.135    1.335    1.335  
assign (resid   4 and name   HA)   (resid  50 and name HD1#)   3.545    1.745    1.745  
assign (resid  49 and name   HA)   (resid  50 and name HD1#)   3.470    1.670    1.670  
assign (resid   5 and name   HA)   (resid  50 and name HD1#)   3.635    1.835    1.835  
assign (resid  50 and name   HA)   (resid  50 and name HD1#)   3.150    1.350    1.350  
assign (resid  35 and name   HA)   (resid  35 and name HD1#)   2.560    0.760    0.760  
assign (resid  35 and name HD1#)   (resid  50 and name   HA)   2.760    0.960    0.960  
assign (resid  24 and name   HA)   (resid  35 and name HD1#)   2.670    0.870    0.870  
assign (resid   3 and name   HN)   (resid  50 and name HG2#)   3.485    1.685    1.685  
assign (resid   3 and name   HN)   (resid  50 and name   HB)   2.970    1.170    1.170  
assign (resid   8 and name   HA)   (resid  45 and name  HE#)   3.230    1.430    1.430  
assign (resid  23 and name  HB1)   (resid  24 and name   HN)   2.885    1.085    1.085  
assign (resid  48 and name  HB1)   (resid  49 and name   HN)   3.075    1.275    1.275  
assign (resid  47 and name  HB2)   (resid  48 and name   HN)   3.140    1.340    1.340  
assign (resid  48 and name   HN)   (resid  48 and name  HB1)   2.885    1.085    1.085  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.820    1.020    1.020  
assign (resid  36 and name  HB#)   (resid  51 and name   HN)   3.265    1.465    1.465  
assign (resid  12 and name  HG2)   (resid  13 and name   HN)   3.280    1.480    1.480  
assign (resid  42 and name  HG2)   (resid  45 and name  HE#)   3.355    1.555    1.555  
assign (resid  12 and name  HG2)   (resid  44 and name  HD#)   3.585    1.785    1.785  
assign (resid  35 and name   HN)   (resid  35 and name HD1#)   3.015    1.215    1.215  
assign (resid  27 and name  HD#)   (resid  35 and name HD1#)   2.870    1.070    1.070  
assign (resid  41 and name  HE#)   (resid  47 and name  HB2)   3.650    1.850    1.850  
assign (resid  41 and name  HE#)   (resid  42 and name  HB2)   3.650    1.850    1.850  
assign (resid  41 and name  HE#)   (resid  42 and name  HB1)   3.650    1.850    1.850  
assign (resid  35 and name   HN)   (resid  35 and name   HB)   2.535    0.735    0.735  
assign (resid  21 and name   HA)   (resid  32 and name HE21)   2.975    1.175    1.175  
assign (resid  31 and name   HA)   (resid  33 and name   HN)   3.000    1.200    1.200  
assign (resid  40 and name   HA)   (resid  42 and name   HN)   3.185    1.385    1.385  
assign (resid  43 and name  HB2)   (resid  44 and name  HD#)   2.770    0.970    0.970  
assign (resid  43 and name  HB1)   (resid  44 and name  HD#)   2.605    0.805    0.805  
assign (resid  43 and name  HB1)   (resid  44 and name  HE#)   2.860    1.060    1.060  
assign (resid   2 and name  HG2)   (resid  51 and name   HA)   3.130    1.330    1.330  
assign (resid   2 and name  HG1)   (resid  51 and name   HA)   3.130    1.330    1.330  
assign (resid  18 and name   HA)   (resid  21 and name  HB1)   2.865    1.065    1.065  
assign (resid  32 and name   HA)   (resid  32 and name  HG1)   2.900    1.100    1.100  
assign (resid   9 and name   HA)   (resid  10 and name  HB#)   2.920    1.120    1.120  
assign (resid   8 and name   HA)   (resid   8 and name  HD2)   3.610    1.810    1.810  
assign (resid   8 and name   HA)   (resid   8 and name  HD1)   3.610    1.810    1.810  
assign (resid   3 and name   HA)   (resid   3 and name HG2#)   2.735    0.935    0.935  
assign (resid  12 and name  HG2)   (resid  43 and name   HA)   3.290    1.490    1.490  
assign (resid   7 and name   HA)   (resid   7 and name HG2#)   2.675    0.875    0.875  
assign (resid   7 and name   HA)   (resid   7 and name HD1#)   2.915    1.115    1.115  
assign (resid  35 and name   HA)   (resid  50 and name   HA)   2.900    1.100    1.100  
assign (resid   7 and name   HA)   (resid   8 and name   HA)   3.165    1.365    1.365  
assign (resid  19 and name  HB1)   (resid  20 and name   HA)   3.010    1.210    1.210  
assign (resid  35 and name   HA)   (resid  35 and name HG2#)   2.565    0.765    0.765  
assign (resid  51 and name   HA)   (resid  51 and name HG2#)   2.490    0.690    0.690  
assign (resid  35 and name HG2#)   (resid  49 and name  HB2)   2.780    0.980    0.980  
assign (resid   7 and name HG12)   (resid  27 and name  HE#)   3.155    1.355    1.355  
assign (resid  34 and name   HN)   (resid  34 and name  HB1)   2.805    1.005    1.005  
assign (resid  41 and name  HD#)   (resid  42 and name  HB2)   2.985    1.185    1.185  
assign (resid  41 and name  HD#)   (resid  42 and name  HB1)   2.985    1.185    1.185  
assign (resid  42 and name  HG2)   (resid  45 and name  HD#)   2.695    0.895    0.895  
assign (resid   7 and name HD1#)   (resid  27 and name  HD#)   3.275    1.475    1.475  
assign (resid   7 and name HD1#)   (resid  27 and name  HE#)   2.955    1.155    1.155  
assign (resid  26 and name  HB#)   (resid  27 and name  HD#)   2.665    0.865    0.865  
assign (resid  26 and name  HB#)   (resid  27 and name  HE#)   2.990    1.190    1.190  
assign (resid   1 and name  HG1)   (resid   2 and name   HN)   3.335    1.535    1.535  
assign (resid   1 and name  HG2)   (resid   2 and name   HN)   3.335    1.535    1.535  
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   2.485    0.685    0.685  
assign (resid  18 and name  HB2)   (resid  19 and name   HN)   3.020    1.220    1.220  
assign (resid  18 and name  HB1)   (resid  19 and name   HN)   3.350    1.550    1.550  
assign (resid  21 and name   HN)   (resid  22 and name  HB#)   3.165    1.365    1.365  
assign (resid   9 and name  HE1)   (resid  18 and name  HB1)   2.440    0.640    0.640  
assign (resid  34 and name   HN)   (resid  34 and name  HB2)   2.805    1.005    1.005  
assign (resid  34 and name  HB2)   (resid  35 and name   HN)   3.265    1.465    1.465  
assign (resid   8 and name  HB2)   (resid  45 and name  HE#)   3.415    1.615    1.615  
assign (resid   8 and name  HB1)   (resid  45 and name  HE#)   2.950    1.150    1.150  
assign (resid  10 and name  HB#)   (resid  44 and name  HE#)   2.955    1.155    1.155  
assign (resid  38 and name  HB#)   (resid  49 and name  HD2)   2.830    1.030    1.030  
assign (resid  43 and name  HB2)   (resid  44 and name  HE#)   3.420    1.620    1.620  
assign (resid   9 and name   HA)   (resid   9 and name  HD2)   3.040    1.240    1.240  
assign (resid   9 and name  HD2)   (resid  22 and name   HA)   3.570    1.770    1.770  
assign (resid  11 and name   HA)   (resid  44 and name  HD#)   3.135    1.335    1.335  
assign (resid  11 and name   HA)   (resid  44 and name  HE#)   3.035    1.235    1.235  
assign (resid  41 and name  HB1)   (resid  42 and name   HN)   3.320    1.520    1.520  
assign (resid  41 and name  HB2)   (resid  42 and name   HN)   3.320    1.520    1.520  
assign (resid  23 and name  HB1)   (resid  27 and name  HD#)   3.235    1.435    1.435  
assign (resid  27 and name  HD#)   (resid  48 and name  HB1)   3.580    1.780    1.780  
assign (resid  27 and name  HE#)   (resid  48 and name  HB1)   3.110    1.310    1.310  
assign (resid  51 and name HG2#)   (resid  53 and name   HN)   2.850    1.050    1.050  
assign (resid  52 and name HG2#)   (resid  53 and name   HN)   2.830    1.030    1.030  
assign (resid  24 and name  HB#)   (resid  27 and name   HN)   3.430    1.630    1.630  
assign (resid  20 and name   HN)   (resid  38 and name  HB#)   2.700    0.900    0.900  
assign (resid  19 and name   HN)   (resid  38 and name  HB#)   3.135    1.335    1.335  
assign (resid  50 and name   HN)   (resid  50 and name HG12)   2.800    1.000    1.000  
assign (resid  38 and name  HB#)   (resid  47 and name   HN)   3.340    1.540    1.540  
assign (resid  41 and name  HE#)   (resid  45 and name  HB1)   3.470    1.670    1.670  
assign (resid  49 and name  HB1)   (resid  50 and name   HN)   3.125    1.325    1.325  
assign (resid  28 and name   HN)   (resid  29 and name   HA)   3.525    1.725    1.725  
assign (resid  40 and name HD21)   (resid  43 and name   HA)   3.305    1.505    1.505  
assign (resid  39 and name   HN)   (resid  49 and name  HD2)   3.030    1.230    1.230  
assign (resid  32 and name   HN)   (resid  34 and name   HN)   3.540    1.740    1.740  
assign (resid  37 and name   HN)   (resid  38 and name   HN)   3.395    1.595    1.595  
assign (resid  32 and name   HN)   (resid  32 and name HE21)   3.585    1.785    1.785  
assign (resid  44 and name   HN)   (resid  44 and name  HE#)   3.455    1.655    1.655  
assign (resid   9 and name  HD2)   (resid  23 and name   HN)   3.470    1.670    1.670  
assign (resid   9 and name   HN)   (resid  44 and name  HD#)   3.650    1.850    1.850  
assign (resid   9 and name  HD2)   (resid  22 and name   HN)   3.525    1.725    1.725  
assign (resid  12 and name   HN)   (resid  44 and name  HD#)   3.525    1.725    1.725  
assign (resid  26 and name   HN)   (resid  28 and name   HN)   3.340    1.540    1.540  
assign (resid  40 and name HD21)   (resid  42 and name   HN)   3.165    1.365    1.365  
assign (resid  27 and name  HD#)   (resid  28 and name   HN)   3.460    1.660    1.660  
assign (resid  36 and name   HN)   (resid  51 and name   HN)   3.460    1.660    1.660  
assign (resid  51 and name   HN)   (resid  52 and name   HN)   3.445    1.645    1.645  
assign (resid   5 and name   HN)   (resid  50 and name   HN)   3.500    1.700    1.700  
assign (resid  12 and name   HN)   (resid  44 and name   HN)   3.650    1.850    1.850  
assign (resid  19 and name   HN)   (resid  21 and name   HN)   3.465    1.665    1.665  
assign (resid  33 and name   HN)   (resid  35 and name   HN)   3.400    1.600    1.600  
assign (resid  24 and name   HN)   (resid  27 and name   HN)   3.650    1.850    1.850  
assign (resid  49 and name   HN)   (resid  50 and name   HN)   3.375    1.575    1.575  
assign (resid   4 and name   HA)   (resid  48 and name   HN)   3.530    1.730    1.730  
assign (resid   3 and name   HN)   (resid   4 and name   HA)   3.650    1.850    1.850  
assign (resid   7 and name   HN)   (resid  47 and name   HN)   3.650    1.850    1.850  
assign (resid  46 and name   HN)   (resid  47 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  46 and name   HN)   3.305    1.505    1.505  
assign (resid  42 and name   HN)   (resid  43 and name   HN)   3.160    1.360    1.360  
assign (resid   2 and name   HA)   (resid  50 and name   HN)   3.370    1.570    1.570  
assign (resid  11 and name   HN)   (resid  44 and name   HA)   3.650    1.850    1.850  
assign (resid  11 and name   HN)   (resid  44 and name  HE#)   3.650    1.850    1.850  
assign (resid  11 and name   HN)   (resid  13 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  11 and name   HN)   3.650    1.850    1.850  
assign (resid  20 and name  HE1)   (resid  38 and name   HN)   3.575    1.775    1.775  
assign (resid  20 and name  HE2)   (resid  38 and name   HN)   3.575    1.775    1.775  
assign (resid  44 and name   HN)   (resid  45 and name  HD#)   3.650    1.850    1.850  
assign (resid  32 and name   HA)   (resid  32 and name  HG2)   2.900    1.100    1.100  
assign (resid   1 and name   HA)   (resid   1 and name  HG#)   2.705    0.905    0.905  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.750    0.950    0.950  
assign (resid   2 and name   HA)   (resid  52 and name HG1#)   2.840    1.040    1.040  
assign (resid   4 and name  HB2)   (resid  47 and name HD2#)   3.275    1.475    1.475  
assign (resid   4 and name  HB1)   (resid  47 and name HD2#)   2.690    0.890    0.890  
assign (resid   5 and name   HN)   (resid   6 and name  HD#)   3.375    1.575    1.575  
assign (resid   5 and name   HA)   (resid   5 and name  HG#)   2.770    0.970    0.970  
assign (resid   5 and name  HG#)   (resid  27 and name  HE#)   3.225    1.425    1.425  
assign (resid   5 and name  HG#)   (resid  50 and name HD1#)   2.930    1.130    1.130  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.640    0.840    0.840  
assign (resid   6 and name  HB#)   (resid  41 and name  HD#)   2.940    1.140    1.140  
assign (resid   6 and name  HB#)   (resid  41 and name  HE#)   2.965    1.165    1.165  
assign (resid   6 and name  HB#)   (resid  47 and name   HA)   3.260    1.460    1.460  
assign (resid   6 and name  HD#)   (resid  48 and name   HN)   3.575    1.775    1.775  
assign (resid   8 and name   HN)   (resid   8 and name  HD#)   3.290    1.490    1.490  
assign (resid   8 and name   HA)   (resid   8 and name  HD#)   3.210    1.410    1.410  
assign (resid   8 and name  HD#)   (resid  45 and name  HE#)   3.095    1.295    1.295  
assign (resid   9 and name  HD2)   (resid  14 and name  HG#)   3.275    1.475    1.475  
assign (resid   9 and name  HE1)   (resid  14 and name  HB#)   3.075    1.275    1.275  
assign (resid   9 and name  HE1)   (resid  14 and name  HG#)   3.170    1.370    1.370  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.695    0.895    0.895  
assign (resid  11 and name   HN)   (resid  11 and name  HG#)   3.365    1.565    1.565  
assign (resid  12 and name  HG2)   (resid  13 and name HD2#)   3.340    1.540    1.540  
assign (resid  12 and name  HD#)   (resid  13 and name   HN)   3.210    1.410    1.410  
assign (resid  13 and name   HN)   (resid  13 and name  HB#)   2.640    0.840    0.840  
assign (resid  13 and name   HA)   (resid  13 and name HD2#)   2.560    0.760    0.760  
assign (resid  13 and name   HA)   (resid  14 and name  HD#)   2.395    0.595    0.595  
assign (resid  13 and name  HB#)   (resid  13 and name HD2#)   2.440    0.640    0.640  
assign (resid  13 and name HD2#)   (resid  40 and name HD22)   2.995    1.195    1.195  
assign (resid  14 and name  HD#)   (resid  40 and name HD21)   2.755    0.955    0.955  
assign (resid  14 and name  HD#)   (resid  40 and name HD22)   2.850    1.050    1.050  
assign (resid  14 and name  HD#)   (resid  44 and name   HN)   3.260    1.460    1.460  
assign (resid  14 and name  HD#)   (resid  45 and name   HN)   3.390    1.590    1.590  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.500    0.700    0.700  
assign (resid  15 and name  HB#)   (resid  16 and name   HN)   2.940    1.140    1.140  
assign (resid  15 and name  HB#)   (resid  17 and name   HN)   3.265    1.465    1.465  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.430    0.630    0.630  
assign (resid  16 and name   HN)   (resid  16 and name  HG#)   2.910    1.110    1.110  
assign (resid  17 and name  HA#)   (resid  20 and name   HN)   3.020    1.220    1.220  
assign (resid  20 and name   HN)   (resid  20 and name  HB#)   2.415    0.615    0.615  
assign (resid  20 and name  HB#)   (resid  21 and name   HN)   2.960    1.160    1.160  
assign (resid  20 and name  HE#)   (resid  38 and name   HN)   3.260    1.460    1.460  
assign (resid  21 and name   HA)   (resid  32 and name  HG#)   2.765    0.965    0.965  
assign (resid  24 and name   HN)   (resid  32 and name  HG#)   3.250    1.450    1.450  
assign (resid  24 and name   HN)   (resid  35 and name HG1#)   3.245    1.445    1.445  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.485    0.685    0.685  
assign (resid  25 and name   HA)   (resid  30 and name  HA#)   2.625    0.825    0.825  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   2.695    0.895    0.895  
assign (resid  27 and name   HN)   (resid  27 and name  HB#)   2.555    0.755    0.755  
assign (resid  27 and name  HB#)   (resid  28 and name   HN)   2.935    1.135    1.135  
assign (resid  29 and name   HN)   (resid  29 and name  HB#)   2.625    0.825    0.825  
assign (resid  31 and name   HN)   (resid  31 and name  HB#)   2.460    0.660    0.660  
assign (resid  32 and name   HN)   (resid  32 and name  HB#)   2.450    0.650    0.650  
assign (resid  32 and name   HN)   (resid  32 and name  HG#)   2.445    0.645    0.645  
assign (resid  32 and name   HA)   (resid  32 and name  HG#)   2.560    0.760    0.760  
assign (resid  32 and name  HB#)   (resid  32 and name HE21)   3.450    1.650    1.650  
assign (resid  32 and name  HB#)   (resid  33 and name   HN)   2.865    1.065    1.065  
assign (resid  33 and name   HN)   (resid  33 and name  HB#)   2.505    0.705    0.705  
assign (resid  33 and name   HN)   (resid  34 and name  HB#)   3.425    1.625    1.625  
assign (resid  34 and name   HN)   (resid  34 and name  HB#)   2.490    0.690    0.690  
assign (resid  34 and name   HN)   (resid  34 and name  HD#)   3.165    1.365    1.365  
assign (resid  34 and name   HN)   (resid  35 and name HG1#)   3.395    1.595    1.595  
assign (resid  34 and name  HG#)   (resid  35 and name   HN)   3.010    1.210    1.210  
assign (resid  35 and name   HN)   (resid  35 and name HG1#)   2.710    0.910    0.910  
assign (resid  36 and name   HN)   (resid  51 and name HG1#)   3.150    1.350    1.350  
assign (resid  37 and name   HN)   (resid  37 and name  HG#)   3.190    1.390    1.390  
assign (resid  37 and name  HB#)   (resid  49 and name   HN)   3.340    1.540    1.540  
assign (resid  37 and name  HB#)   (resid  49 and name  HD2)   3.045    1.245    1.245  
assign (resid  37 and name  HG#)   (resid  38 and name   HN)   2.935    1.135    1.135  
assign (resid  37 and name  HG#)   (resid  49 and name  HD2)   3.440    1.640    1.640  
assign (resid  38 and name   HA)   (resid  39 and name  HB#)   3.105    1.305    1.305  
assign (resid  39 and name  HB#)   (resid  47 and name HD2#)   3.165    1.365    1.365  
assign (resid  40 and name   HN)   (resid  40 and name  HB#)   2.615    0.815    0.815  
assign (resid  41 and name   HN)   (resid  41 and name  HB#)   2.580    0.780    0.780  
assign (resid  41 and name  HB#)   (resid  42 and name   HN)   3.000    1.200    1.200  
assign (resid  41 and name  HD#)   (resid  42 and name  HB#)   2.670    0.870    0.870  
assign (resid  41 and name  HE#)   (resid  42 and name  HB#)   3.310    1.510    1.510  
assign (resid  41 and name  HE#)   (resid  45 and name  HB#)   3.035    1.235    1.235  
assign (resid  42 and name   HN)   (resid  45 and name  HB#)   3.150    1.350    1.350  
assign (resid  42 and name  HB#)   (resid  43 and name   HN)   2.700    0.900    0.900  
assign (resid  45 and name   HN)   (resid  45 and name  HB#)   2.575    0.775    0.775  
assign (resid  45 and name  HB#)   (resid  46 and name   HN)   2.765    0.965    0.965  
assign (resid  47 and name   HN)   (resid  47 and name HD2#)   3.505    1.705    1.705  
assign (resid  47 and name  HB2)   (resid  47 and name HD2#)   2.695    0.895    0.895  
assign (resid  47 and name  HB1)   (resid  47 and name HD2#)   2.580    0.780    0.780  
assign (resid  47 and name HD2#)   (resid  49 and name  HE1)   3.025    1.225    1.225  
assign (resid  50 and name HG1#)   (resid  51 and name   HN)   3.540    1.740    1.740  
assign (resid  51 and name   HN)   (resid  51 and name HG1#)   2.885    1.085    1.085  
assign (resid  51 and name   HA)   (resid  51 and name HG1#)   2.720    0.920    0.920  
assign (resid  52 and name   HN)   (resid  52 and name HG1#)   2.645    0.845    0.845  
assign (resid  52 and name   HA)   (resid  52 and name HG1#)   2.740    0.940    0.940  
assign (resid  52 and name HG1#)   (resid  53 and name   HN)   3.205    1.405    1.405  
assign (resid  53 and name   HN)   (resid  53 and name  HB#)   2.750    0.950    0.950  
!dihedral restraints
assign (resid 1     and name C    ) (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0 -120.0   40.0 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    ) (resid 3     and name N    )    1.0  140.0   30.0 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -120.0   40.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  140.0   35.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -95.0   35.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  130.0   40.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0 -100.0   60.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0  140.0   40.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  140.0   30.0 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0 -130.0   40.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  140.0   30.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -80.0   30.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  130.0   30.0 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0 -130.0   50.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  140.0   30.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0  -70.0   30.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -65.0   30.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  -60.0   30.0 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0 -120.0   60.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  100.0   70.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  140.0   30.0 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0  -80.0   40.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  150.0   30.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0  -60.0   30.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    ) (resid 17    and name N    )    1.0  -40.0   30.0 2
assign (resid 16    and name C    ) (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    )    1.0  -60.0   30.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    ) (resid 18    and name N    )    1.0  -40.0   30.0 2
assign (resid 17    and name C    ) (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    )    1.0  -60.0   30.0 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    ) (resid 19    and name N    )    1.0  -40.0   30.0 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0  -60.0   30.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  -40.0   30.0 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0  -60.0   30.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0  -40.0   30.0 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0  -60.0   30.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  -40.0   30.0 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0  -60.0   30.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    ) (resid 23    and name N    )    1.0  -40.0   30.0 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -60.0   30.0 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    ) (resid 24    and name N    )    1.0  -40.0   30.0 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0  -60.0   30.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  -40.0   30.0 2
assign (resid 24    and name C    ) (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    )    1.0  -60.0   30.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    ) (resid 26    and name N    )    1.0  -40.0   30.0 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0  -70.0   30.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  -30.0   30.0 2
assign (resid 26    and name C    ) (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    )    1.0 -100.0   40.0 2
assign (resid 27    and name C    ) (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    )    1.0 -100.0   60.0 2
assign (resid 28    and name C    ) (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name C    )    1.0   60.0   30.0 2
assign (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name C    ) (resid 30    and name N    )    1.0   40.0   40.0 2
assign (resid 30    and name C    ) (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    )    1.0  -70.0   40.0 2
assign (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    ) (resid 32    and name N    )    1.0  120.0   50.0 2
assign (resid 31    and name C    ) (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    )    1.0  -60.0   40.0 2
assign (resid 32    and name C    ) (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name C    )    1.0  -65.0   30.0 2
assign (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name C    ) (resid 34    and name N    )    1.0  -30.0   30.0 2
assign (resid 33    and name C    ) (resid 34    and name N    ) (resid 34    and name CA   ) (resid 34    and name C    )    1.0  -90.0   30.0 2
assign (resid 34    and name N    ) (resid 34    and name CA   ) (resid 34    and name C    ) (resid 35    and name N    )    1.0  -10.0   30.0 2
assign (resid 34    and name C    ) (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    )    1.0  -80.0   40.0 2
assign (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    ) (resid 36    and name N    )    1.0  110.0   50.0 2
assign (resid 35    and name C    ) (resid 36    and name N    ) (resid 36    and name CA   ) (resid 36    and name C    )    1.0  -70.0   30.0 2
assign (resid 36    and name N    ) (resid 36    and name CA   ) (resid 36    and name C    ) (resid 37    and name N    )    1.0  -30.0   30.0 2
assign (resid 37    and name C    ) (resid 38    and name N    ) (resid 38    and name CA   ) (resid 38    and name C    )    1.0 -140.0   30.0 2
assign (resid 38    and name N    ) (resid 38    and name CA   ) (resid 38    and name C    ) (resid 39    and name N    )    1.0  150.0   30.0 2
assign (resid 38    and name C    ) (resid 39    and name N    ) (resid 39    and name CA   ) (resid 39    and name C    )    1.0 -140.0   30.0 2
assign (resid 39    and name N    ) (resid 39    and name CA   ) (resid 39    and name C    ) (resid 40    and name N    )    1.0  140.0   30.0 2
assign (resid 39    and name C    ) (resid 40    and name N    ) (resid 40    and name CA   ) (resid 40    and name C    )    1.0  -95.0   30.0 2
assign (resid 40    and name N    ) (resid 40    and name CA   ) (resid 40    and name C    ) (resid 41    and name N    )    1.0  120.0   30.0 2
assign (resid 40    and name C    ) (resid 41    and name N    ) (resid 41    and name CA   ) (resid 41    and name C    )    1.0  -90.0   50.0 2
assign (resid 41    and name C    ) (resid 42    and name N    ) (resid 42    and name CA   ) (resid 42    and name C    )    1.0 -120.0   60.0 2
assign (resid 43    and name C    ) (resid 44    and name N    ) (resid 44    and name CA   ) (resid 44    and name C    )    1.0   65.0   30.0 2
assign (resid 44    and name N    ) (resid 44    and name CA   ) (resid 44    and name C    ) (resid 45    and name N    )    1.0   30.0   35.0 2
assign (resid 44    and name C    ) (resid 45    and name N    ) (resid 45    and name CA   ) (resid 45    and name C    )    1.0 -130.0   30.0 2
assign (resid 45    and name N    ) (resid 45    and name CA   ) (resid 45    and name C    ) (resid 46    and name N    )    1.0  150.0   30.0 2
assign (resid 45    and name C    ) (resid 46    and name N    ) (resid 46    and name CA   ) (resid 46    and name C    )    1.0 -110.0   30.0 2
assign (resid 46    and name N    ) (resid 46    and name CA   ) (resid 46    and name C    ) (resid 47    and name N    )    1.0  130.0   30.0 2
assign (resid 46    and name C    ) (resid 47    and name N    ) (resid 47    and name CA   ) (resid 47    and name C    )    1.0 -110.0   30.0 2
assign (resid 47    and name N    ) (resid 47    and name CA   ) (resid 47    and name C    ) (resid 48    and name N    )    1.0  130.0   30.0 2
assign (resid 47    and name C    ) (resid 48    and name N    ) (resid 48    and name CA   ) (resid 48    and name C    )    1.0  -90.0   40.0 2
assign (resid 48    and name N    ) (resid 48    and name CA   ) (resid 48    and name C    ) (resid 49    and name N    )    1.0  130.0   30.0 2
assign (resid 48    and name C    ) (resid 49    and name N    ) (resid 49    and name CA   ) (resid 49    and name C    )    1.0  -80.0   30.0 2
assign (resid 49    and name C    ) (resid 50    and name N    ) (resid 50    and name CA   ) (resid 50    and name C    )    1.0 -100.0   40.0 2
assign (resid 50    and name N    ) (resid 50    and name CA   ) (resid 50    and name C    ) (resid 51    and name N    )    1.0  130.0   30.0 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name CB   ) (resid 2     and name CG   )    1.0 -120.0   90.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name CB   ) (resid 4     and name CG   )    1.0  -60.0   30.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name CB   ) (resid 5     and name CG   )    1.0 -120.0   90.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name CB   ) (resid 8     and name CG   )    1.0  -60.0   30.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name CB   ) (resid 13    and name CG   )    1.0 -120.0   90.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name CB   ) (resid 19    and name SG   )    1.0  -60.0   30.0 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name CB   ) (resid 23    and name SG   )    1.0  -60.0   30.0 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name CB   ) (resid 27    and name CG   )    1.0  -60.0   30.0 2
assign (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name CB   ) (resid 29    and name CG   )    1.0  -60.0   30.0 2
assign (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name CB   ) (resid 31    and name CG   )    1.0  180.0   30.0 2
assign (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name CB   ) (resid 32    and name CG   )    1.0  -60.0   30.0 2
assign (resid 34    and name N    ) (resid 34    and name CA   ) (resid 34    and name CB   ) (resid 34    and name CG   )    1.0 -120.0   90.0 2
assign (resid 39    and name N    ) (resid 39    and name CA   ) (resid 39    and name CB   ) (resid 39    and name CG   )    1.0 -120.0   90.0 2
assign (resid 40    and name N    ) (resid 40    and name CA   ) (resid 40    and name CB   ) (resid 40    and name CG   )    1.0  180.0   30.0 2
assign (resid 41    and name N    ) (resid 41    and name CA   ) (resid 41    and name CB   ) (resid 41    and name CG   )    1.0  180.0   30.0 2
assign (resid 43    and name N    ) (resid 43    and name CA   ) (resid 43    and name CB   ) (resid 43    and name CG   )    1.0  -60.0   30.0 2
assign (resid 44    and name N    ) (resid 44    and name CA   ) (resid 44    and name CB   ) (resid 44    and name CG   )    1.0  -60.0   30.0 2
assign (resid 45    and name N    ) (resid 45    and name CA   ) (resid 45    and name CB   ) (resid 45    and name CG   )    1.0  -60.0   30.0 2
assign (resid 46    and name N    ) (resid 46    and name CA   ) (resid 46    and name CB   ) (resid 46    and name SG   )    1.0 -120.0   90.0 2
assign (resid 47    and name N    ) (resid 47    and name CA   ) (resid 47    and name CB   ) (resid 47    and name CG   )    1.0  180.0   30.0 2
assign (resid 48    and name N    ) (resid 48    and name CA   ) (resid 48    and name CB   ) (resid 48    and name SG   )    1.0  -60.0   30.0 2
assign (resid 49    and name N    ) (resid 49    and name CA   ) (resid 49    and name CB   ) (resid 49    and name CG   )    1.0  -60.0   30.0 2
!hbond restraints
assign (resid 3 and name HN)(resid 50 and name O) 0 0 2
assign (resid 3 and name N)(resid 50 and name O) 0 0 3
assign (resid 5 and name HN)(resid 48 and name O) 0 0 2
assign (resid 5 and name N)(resid 48 and name O) 0 0 3
assign (resid 7 and name HN)(resid 46 and name O) 0 0 2
assign (resid 7 and name N)(resid 46 and name O) 0 0 3
assign (resid 20 and name HN)(resid 16 and name O) 0 0 2
assign (resid 20 and name N)(resid 16 and name O) 0 0 3
assign (resid 21 and name HN)(resid 17 and name O) 0 0 2
assign (resid 21 and name N)(resid 17 and name O) 0 0 3
assign (resid 22 and name HN)(resid 18 and name O) 0 0 2
assign (resid 22 and name N)(resid 18 and name O) 0 0 3
assign (resid 23 and name HN)(resid 19 and name O) 0 0 2
assign (resid 23 and name N)(resid 19 and name O) 0 0 3
assign (resid 24 and name HN)(resid 20 and name O) 0 0 2
assign (resid 24 and name N)(resid 20 and name O) 0 0 3
assign (resid 25 and name HN)(resid 21 and name O) 0 0 2
assign (resid 25 and name N)(resid 21 and name O) 0 0 3
assign (resid 26 and name HN)(resid 22 and name O) 0 0 2
assign (resid 26 and name N)(resid 22 and name O) 0 0 3
assign (resid 27 and name HN)(resid 24 and name O) 0 0 2
assign (resid 27 and name N)(resid 24 and name O) 0 0 3
assign (resid 28 and name HN)(resid 24 and name O) 0 0 2
assign (resid 28 and name N)(resid 24 and name O) 0 0 3
assign (resid 36 and name HN)(resid 49 and name O) 0 0 2
assign (resid 36 and name N)(resid 49 and name O) 0 0 3  
assign (resid 39 and name HN)(resid 47 and name O) 0 0 2
assign (resid 39 and name N)(resid 47 and name O) 0 0 3
assign (resid 44 and name HN)(resid 12 and name O) 0 0 2
assign (resid 44 and name N)(resid 12 and name O) 0 0 3
assign (resid 45 and name HN)(resid 42 and name O) 0 0 2
assign (resid 45 and name N)(resid 42 and name O) 0 0 3
assign (resid 46 and name HN)(resid 7 and name O) 0 0 2
assign (resid 46 and name N)(resid 7 and name O) 0 0 3
assign (resid 47 and name HN)(resid 39 and name O) 0 0 2
assign (resid 47 and name N)(resid 39 and name O) 0 0 3
assign (resid 48 and name HN)(resid 5 and name O) 0 0 2
assign (resid 48 and name N)(resid 5 and name O) 0 0 3
assign (resid 49 and name HN)(resid 37 and name O) 0 0 2
assign (resid 49 and name N)(resid 37 and name O) 0 0 3
assign (resid 50 and name HN)(resid 3 and name O) 0 0 2
assign (resid 50 and name N)(resid 3 and name O) 0 0 3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1          1HT       GLU   1 -15.836  -1.814  -2.807
    2    H2   GLU   1          2HT       GLU   1 -15.121  -2.950  -1.767
    3    H3   GLU   1          3HT       GLU   1 -16.543  -3.345  -2.600
    4    HA   GLU   1           HA       GLU   1 -14.634  -4.340  -3.646
    5    HB2  GLU   1           HB2      GLU   1 -16.384  -3.535  -5.155
    6    HB3  GLU   1           HB3      GLU   1 -15.682  -1.926  -5.125
    7    HG2  GLU   1           HG2      GLU   1 -13.665  -2.835  -6.236
    8    HG3  GLU   1           HG3      GLU   1 -14.475  -4.396  -6.348
    9    H    GLU   2           H        GLU   2 -12.516  -4.302  -3.584
   10    HA   GLU   2           HA       GLU   2 -11.187  -1.715  -3.345
   11    HB2  GLU   2           HB2      GLU   2 -10.378  -4.404  -2.202
   12    HB3  GLU   2           HB3      GLU   2  -9.342  -2.992  -2.211
   13    HG2  GLU   2           HG2      GLU   2 -10.270  -3.214  -0.029
   14    HG3  GLU   2           HG3      GLU   2 -11.027  -1.826  -0.793
   15    H    THR   3           H        THR   3  -9.227  -1.508  -4.417
   16    HA   THR   3           HA       THR   3  -8.774  -3.505  -6.496
   17    HB   THR   3           HB       THR   3  -9.689  -1.410  -7.457
   18    HG1  THR   3           HG1      THR   3  -8.417  -2.371  -8.842
   19   HG21  THR   3          HG21      THR   3  -8.352   0.668  -7.432
   20   HG22  THR   3          HG22      THR   3  -7.224  -0.088  -6.302
   21   HG23  THR   3          HG23      THR   3  -8.897   0.205  -5.820
   22    H    GLU   4           H        GLU   4  -6.653  -4.038  -6.904
   23    HA   GLU   4           HA       GLU   4  -4.841  -3.515  -4.693
   24    HB2  GLU   4           HB2      GLU   4  -4.542  -5.414  -7.040
   25    HB3  GLU   4           HB3      GLU   4  -3.403  -5.258  -5.722
   26    HG2  GLU   4           HG2      GLU   4  -4.609  -7.212  -5.266
   27    HG3  GLU   4           HG3      GLU   4  -5.307  -6.004  -4.199
   28    H    GLU   5           H        GLU   5  -2.958  -2.418  -4.902
   29    HA   GLU   5           HA       GLU   5  -1.970  -1.735  -7.543
   30    HB2  GLU   5           HB2      GLU   5  -3.550   0.075  -6.997
   31    HB3  GLU   5           HB3      GLU   5  -2.704   0.363  -5.489
   32    HG2  GLU   5           HG2      GLU   5  -2.180   2.014  -7.205
   33    HG3  GLU   5           HG3      GLU   5  -0.747   1.120  -6.689
   34    HA   PRO   6           HA       PRO   6   1.602  -2.570  -4.845
   35    HB2  PRO   6           HB2      PRO   6   3.000  -3.021  -7.360
   36    HB3  PRO   6           HB3      PRO   6   2.729  -4.143  -6.022
   37    HG2  PRO   6           HG2      PRO   6   1.500  -4.427  -8.429
   38    HG3  PRO   6           HG3      PRO   6   0.750  -4.928  -6.904
   39    HD2  PRO   6           HD2      PRO   6   0.267  -2.458  -8.528
   40    HD3  PRO   6           HD3      PRO   6  -0.891  -3.496  -7.667
   41    H    ILE   7           H        ILE   7   2.309  -0.734  -4.162
   42    HA   ILE   7           HA       ILE   7   3.244   1.395  -5.972
   43    HB   ILE   7           HB       ILE   7   3.079   2.908  -4.027
   44   HG12  ILE   7          HG12      ILE   7   2.296   0.535  -2.351
   45   HG13  ILE   7          HG13      ILE   7   3.980   1.034  -2.464
   46   HG21  ILE   7          HG21      ILE   7   0.841   2.657  -3.400
   47   HG22  ILE   7          HG22      ILE   7   0.755   1.086  -4.213
   48   HG23  ILE   7          HG23      ILE   7   1.067   2.558  -5.149
   49   HD11  ILE   7          HD11      ILE   7   2.928   1.932  -0.509
   50   HD12  ILE   7          HD12      ILE   7   1.695   2.716  -1.529
   51   HD13  ILE   7          HD13      ILE   7   3.397   3.202  -1.649
   52    H    ARG   8           H        ARG   8   5.230   2.516  -5.282
   53    HA   ARG   8           HA       ARG   8   7.267   0.629  -4.409
   54    HB2  ARG   8           HB2      ARG   8   7.593   3.451  -5.507
   55    HB3  ARG   8           HB3      ARG   8   8.880   2.311  -5.123
   56    HG2  ARG   8           HG2      ARG   8   8.171   0.826  -6.791
   57    HG3  ARG   8           HG3      ARG   8   6.796   1.856  -7.222
   58    HD2  ARG   8           HD2      ARG   8   8.388   3.619  -7.874
   59    HD3  ARG   8           HD3      ARG   8   9.728   2.553  -7.442
   60    HE   ARG   8           HE       ARG   8   8.138   1.171  -9.225
   61   HH11  ARG   8          HH11      ARG   8  10.180   4.061  -9.329
   62   HH12  ARG   8          HH12      ARG   8  10.489   3.918 -10.993
   63   HH21  ARG   8          HH21      ARG   8   8.560   1.014 -11.465
   64   HH22  ARG   8          HH22      ARG   8   9.549   2.180 -12.239
   65    H    HIS   9           H        HIS   9   7.954   0.640  -2.437
   66    HA   HIS   9           HA       HIS   9   7.365   2.923  -0.653
   67    HB2  HIS   9           HB2      HIS   9   6.268   0.682  -0.139
   68    HB3  HIS   9           HB3      HIS   9   7.882   0.023   0.080
   69    HD1  HIS   9           HD3      HIS   9   9.255   1.082   2.216
   70    HD2  HIS   9           HD2      HIS   9   5.192   1.875   2.012
   71    HE1  HIS   9           HE1      HIS   9   8.588   1.927   4.501
   72    H    ALA  10           H        ALA  10   9.121   3.599   0.680
   73    HA   ALA  10           HA       ALA  10  11.707   2.772  -0.349
   74    HB1  ALA  10           HB1      ALA  10  11.250   5.182  -0.185
   75    HB2  ALA  10           HB2      ALA  10  12.625   4.702   0.813
   76    HB3  ALA  10           HB3      ALA  10  11.059   5.021   1.562
   77    H    LYS  11           H        LYS  11  11.578   0.647   0.597
   78    HA   LYS  11           HA       LYS  11  13.083   0.335   2.923
   79    HB2  LYS  11           HB2      LYS  11  10.641   0.881   3.766
   80    HB3  LYS  11           HB3      LYS  11  10.241  -0.691   3.113
   81    HG2  LYS  11           HG2      LYS  11  10.569  -0.990   5.421
   82    HG3  LYS  11           HG3      LYS  11  12.026  -1.629   4.648
   83    HD2  LYS  11           HD2      LYS  11  13.228   0.402   5.153
   84    HD3  LYS  11           HD3      LYS  11  11.766   1.154   5.777
   85    HE2  LYS  11           HE2      LYS  11  13.215  -1.217   6.949
   86    HE3  LYS  11           HE3      LYS  11  13.170   0.410   7.610
   87    HZ1  LYS  11           HZ1      LYS  11  11.595  -0.871   8.807
   88    HZ2  LYS  11           HZ2      LYS  11  10.959  -1.545   7.439
   89    HZ3  LYS  11           HZ3      LYS  11  10.623   0.052   7.780
   90    H    LYS  12           H        LYS  12  13.868  -1.840   2.687
   91    HA   LYS  12           HA       LYS  12  13.380  -3.084   0.205
   92    HB2  LYS  12           HB2      LYS  12  15.509  -3.424   1.310
   93    HB3  LYS  12           HB3      LYS  12  14.722  -4.147   2.702
   94    HG2  LYS  12           HG2      LYS  12  14.078  -6.073   1.395
   95    HG3  LYS  12           HG3      LYS  12  14.719  -5.329  -0.069
   96    HD2  LYS  12           HD2      LYS  12  16.958  -5.428   0.798
   97    HD3  LYS  12           HD3      LYS  12  16.372  -5.981   2.368
   98    HE2  LYS  12           HE2      LYS  12  17.311  -7.809   1.002
   99    HE3  LYS  12           HE3      LYS  12  15.622  -8.066   1.399
  100    HZ1  LYS  12           HZ1      LYS  12  16.150  -8.611  -0.900
  101    HZ2  LYS  12           HZ2      LYS  12  16.586  -7.012  -1.221
  102    HZ3  LYS  12           HZ3      LYS  12  14.998  -7.401  -0.815
  103    H    ASN  13           H        ASN  13  12.451  -4.054   3.457
  104    HA   ASN  13           HA       ASN  13  10.105  -5.340   2.265
  105    HB2  ASN  13           HB2      ASN  13  11.687  -7.124   2.968
  106    HB3  ASN  13           HB3      ASN  13  11.656  -6.473   4.607
  107   HD21  ASN  13          HD21      ASN  13   9.936  -8.274   2.218
  108   HD22  ASN  13          HD22      ASN  13   8.662  -8.827   3.241
  109    HA   PRO  14           HA       PRO  14   8.852  -2.270   5.396
  110    HB2  PRO  14           HB2      PRO  14   6.561  -1.621   4.049
  111    HB3  PRO  14           HB3      PRO  14   8.101  -0.786   3.831
  112    HG2  PRO  14           HG2      PRO  14   6.821  -2.880   2.148
  113    HG3  PRO  14           HG3      PRO  14   7.773  -1.471   1.660
  114    HD2  PRO  14           HD2      PRO  14   8.749  -3.982   1.698
  115    HD3  PRO  14           HD3      PRO  14   9.759  -2.555   1.981
  116    H    SER  15           H        SER  15   7.433  -2.576   6.941
  117    HA   SER  15           HA       SER  15   6.047  -5.049   7.124
  118    HB2  SER  15           HB2      SER  15   5.717  -2.618   8.898
  119    HB3  SER  15           HB3      SER  15   5.588  -4.327   9.336
  120    HG   SER  15           HG       SER  15   7.868  -2.793   8.781
  121    H    GLU  16           H        GLU  16   3.603  -5.064   7.455
  122    HA   GLU  16           HA       GLU  16   2.420  -3.754   5.263
  123    HB2  GLU  16           HB2      GLU  16   0.274  -4.665   6.009
  124    HB3  GLU  16           HB3      GLU  16   1.541  -5.876   5.966
  125    HG2  GLU  16           HG2      GLU  16   1.732  -5.846   8.338
  126    HG3  GLU  16           HG3      GLU  16   0.621  -4.475   8.457
  127    H    GLY  17           H        GLY  17   2.617  -2.912   8.593
  128    HA2  GLY  17           HA2      GLY  17   0.683  -0.845   8.623
  129    HA3  GLY  17           HA3      GLY  17   2.077  -0.973   9.697
  130    H    GLU  18           H        GLU  18   4.137  -0.888   7.885
  131    HA   GLU  18           HA       GLU  18   4.496   1.875   7.428
  132    HB2  GLU  18           HB2      GLU  18   5.976  -0.471   6.186
  133    HB3  GLU  18           HB3      GLU  18   6.527   1.195   6.169
  134    HG2  GLU  18           HG2      GLU  18   6.739   1.147   8.605
  135    HG3  GLU  18           HG3      GLU  18   6.171  -0.518   8.627
  136    H    CYS  19           H        CYS  19   3.751  -0.849   5.346
  137    HA   CYS  19           HA       CYS  19   3.494   0.486   2.929
  138    HB2  CYS  19           HB2      CYS  19   2.102  -1.987   3.935
  139    HB3  CYS  19           HB3      CYS  19   1.981  -1.410   2.284
  140    H    LYS  20           H        LYS  20   0.956  -0.200   5.395
  141    HA   LYS  20           HA       LYS  20  -1.126   0.942   3.925
  142    HB2  LYS  20           HB2      LYS  20  -0.841   0.676   6.913
  143    HB3  LYS  20           HB3      LYS  20  -2.278   1.311   6.130
  144    HG2  LYS  20           HG2      LYS  20  -2.513  -0.848   4.927
  145    HG3  LYS  20           HG3      LYS  20  -1.138  -1.461   5.845
  146    HD2  LYS  20           HD2      LYS  20  -3.169  -2.198   6.904
  147    HD3  LYS  20           HD3      LYS  20  -2.391  -0.998   7.938
  148    HE2  LYS  20           HE2      LYS  20  -3.952   0.722   7.015
  149    HE3  LYS  20           HE3      LYS  20  -4.744  -0.548   6.093
  150    HZ1  LYS  20           HZ1      LYS  20  -5.257  -1.642   8.248
  151    HZ2  LYS  20           HZ2      LYS  20  -5.967  -0.147   8.044
  152    HZ3  LYS  20           HZ3      LYS  20  -4.628  -0.280   9.046
  153    H    LYS  21           H        LYS  21   1.145   2.420   6.156
  154    HA   LYS  21           HA       LYS  21  -0.118   4.927   6.100
  155    HB2  LYS  21           HB2      LYS  21   1.529   4.316   7.841
  156    HB3  LYS  21           HB3      LYS  21   2.802   4.334   6.630
  157    HG2  LYS  21           HG2      LYS  21   2.840   6.385   7.921
  158    HG3  LYS  21           HG3      LYS  21   2.396   6.722   6.248
  159    HD2  LYS  21           HD2      LYS  21  -0.003   6.733   6.941
  160    HD3  LYS  21           HD3      LYS  21   0.526   6.554   8.614
  161    HE2  LYS  21           HE2      LYS  21   1.212   8.819   6.754
  162    HE3  LYS  21           HE3      LYS  21   0.015   8.884   8.042
  163    HZ1  LYS  21           HZ1      LYS  21   1.759   8.543   9.650
  164    HZ2  LYS  21           HZ2      LYS  21   2.155   9.879   8.665
  165    HZ3  LYS  21           HZ3      LYS  21   2.916   8.406   8.434
  166    H    ALA  22           H        ALA  22   2.440   3.526   4.110
  167    HA   ALA  22           HA       ALA  22   2.923   5.855   2.568
  168    HB1  ALA  22           HB1      ALA  22   4.502   3.980   2.671
  169    HB2  ALA  22           HB2      ALA  22   4.067   4.388   1.010
  170    HB3  ALA  22           HB3      ALA  22   3.344   2.980   1.793
  171    H    CYS  23           H        CYS  23   0.822   3.055   2.057
  172    HA   CYS  23           HA       CYS  23  -0.226   3.806  -0.427
  173    HB2  CYS  23           HB2      CYS  23  -1.595   2.302   1.811
  174    HB3  CYS  23           HB3      CYS  23  -2.168   2.384   0.151
  175    H    ALA  24           H        ALA  24  -1.116   4.695   2.846
  176    HA   ALA  24           HA       ALA  24  -3.405   6.173   2.178
  177    HB1  ALA  24           HB1      ALA  24  -2.904   5.418   4.425
  178    HB2  ALA  24           HB2      ALA  24  -3.157   7.167   4.386
  179    HB3  ALA  24           HB3      ALA  24  -1.520   6.508   4.506
  180    H    ASP  25           H        ASP  25  -0.095   7.239   2.941
  181    HA   ASP  25           HA       ASP  25  -0.366   9.934   2.408
  182    HB2  ASP  25           HB2      ASP  25   1.945   8.078   2.356
  183    HB3  ASP  25           HB3      ASP  25   2.157   9.647   1.602
  184    H    ALA  26           H        ALA  26   0.558   7.424   0.100
  185    HA   ALA  26           HA       ALA  26   0.831   9.310  -2.019
  186    HB1  ALA  26           HB1      ALA  26   0.700   6.309  -2.174
  187    HB2  ALA  26           HB2      ALA  26   2.162   7.257  -1.910
  188    HB3  ALA  26           HB3      ALA  26   1.280   7.402  -3.431
  189    H    PHE  27           H        PHE  27  -1.969   7.789  -0.709
  190    HA   PHE  27           HA       PHE  27  -3.274   8.214  -3.309
  191    HB2  PHE  27           HB2      PHE  27  -3.682   5.960  -1.399
  192    HB3  PHE  27           HB3      PHE  27  -4.963   6.428  -2.514
  193    HD1  PHE  27           HD1      PHE  27  -1.751   4.669  -2.187
  194    HD2  PHE  27           HD2      PHE  27  -4.532   6.415  -4.926
  195    HE1  PHE  27           HE1      PHE  27  -0.760   3.430  -4.004
  196    HE2  PHE  27           HE2      PHE  27  -3.512   5.174  -6.737
  197    HZ   PHE  27           HZ       PHE  27  -1.606   3.673  -6.292
  198    H    ALA  28           H        ALA  28  -3.617   8.643   0.106
  199    HA   ALA  28           HA       ALA  28  -5.951  10.332  -0.435
  200    HB1  ALA  28           HB1      ALA  28  -6.653   8.192   0.575
  201    HB2  ALA  28           HB2      ALA  28  -6.977   9.582   1.596
  202    HB3  ALA  28           HB3      ALA  28  -5.605   8.530   1.955
  203    H    ASN  29           H        ASN  29  -2.931  10.589   0.134
  204    HA   ASN  29           HA       ASN  29  -1.535  12.074   1.080
  205    HB2  ASN  29           HB2      ASN  29  -4.115  13.592   1.489
  206    HB3  ASN  29           HB3      ASN  29  -2.549  14.267   1.905
  207   HD21  ASN  29          HD21      ASN  29  -2.795  15.905   0.411
  208   HD22  ASN  29          HD22      ASN  29  -2.654  15.663  -1.285
  209    H    GLY  30           H        GLY  30  -2.801   9.971   2.753
  210    HA2  GLY  30           HA2      GLY  30  -1.544   9.674   4.911
  211    HA3  GLY  30           HA3      GLY  30  -2.253  11.215   5.368
  212    H    ASP  31           H        ASP  31  -4.788  10.286   3.914
  213    HA   ASP  31           HA       ASP  31  -5.982   9.197   6.289
  214    HB2  ASP  31           HB2      ASP  31  -7.312  10.712   4.941
  215    HB3  ASP  31           HB3      ASP  31  -7.214   9.616   3.563
  216    H    GLN  32           H        GLN  32  -6.284   7.196   6.869
  217    HA   GLN  32           HA       GLN  32  -5.499   5.140   4.972
  218    HB2  GLN  32           HB2      GLN  32  -5.856   5.015   7.952
  219    HB3  GLN  32           HB3      GLN  32  -5.276   3.704   6.934
  220    HG2  GLN  32           HG2      GLN  32  -3.374   5.104   6.274
  221    HG3  GLN  32           HG3      GLN  32  -3.937   6.348   7.380
  222   HE21  GLN  32          HE21      GLN  32  -1.486   4.813   7.298
  223   HE22  GLN  32          HE22      GLN  32  -1.332   4.041   8.832
  224    H    SER  33           H        SER  33  -8.354   6.514   5.436
  225    HA   SER  33           HA       SER  33  -9.821   4.079   6.001
  226    HB2  SER  33           HB2      SER  33 -10.528   6.246   7.055
  227    HB3  SER  33           HB3      SER  33 -10.861   6.883   5.447
  228    HG   SER  33           HG       SER  33 -12.059   4.486   5.892
  229    H    LYS  34           H        LYS  34  -8.543   5.773   3.423
  230    HA   LYS  34           HA       LYS  34 -10.391   4.777   1.407
  231    HB2  LYS  34           HB2      LYS  34  -9.251   6.985   1.170
  232    HB3  LYS  34           HB3      LYS  34  -7.703   6.163   1.138
  233    HG2  LYS  34           HG2      LYS  34  -8.318   5.088  -0.977
  234    HG3  LYS  34           HG3      LYS  34  -9.883   5.901  -0.935
  235    HD2  LYS  34           HD2      LYS  34  -8.742   8.084  -1.001
  236    HD3  LYS  34           HD3      LYS  34  -7.189   7.248  -1.027
  237    HE2  LYS  34           HE2      LYS  34  -7.722   6.241  -3.156
  238    HE3  LYS  34           HE3      LYS  34  -9.317   6.994  -3.131
  239    HZ1  LYS  34           HZ1      LYS  34  -7.653   8.192  -4.505
  240    HZ2  LYS  34           HZ2      LYS  34  -6.790   8.580  -3.105
  241    HZ3  LYS  34           HZ3      LYS  34  -8.365   9.121  -3.311
  242    H    ILE  35           H        ILE  35  -7.897   3.568   3.208
  243    HA   ILE  35           HA       ILE  35  -7.114   1.591   1.174
  244    HB   ILE  35           HB       ILE  35  -5.499   2.601   3.541
  245   HG12  ILE  35          HG12      ILE  35  -5.578   4.268   1.752
  246   HG13  ILE  35          HG13      ILE  35  -3.968   3.574   1.867
  247   HG21  ILE  35          HG21      ILE  35  -3.645   1.258   2.660
  248   HG22  ILE  35          HG22      ILE  35  -4.717   0.608   1.420
  249   HG23  ILE  35          HG23      ILE  35  -5.026   0.258   3.119
  250   HD11  ILE  35          HD11      ILE  35  -4.608   3.870  -0.447
  251   HD12  ILE  35          HD12      ILE  35  -6.061   2.909  -0.198
  252   HD13  ILE  35          HD13      ILE  35  -4.474   2.150  -0.081
  253    H    ALA  36           H        ALA  36  -7.785  -0.399   1.610
  254    HA   ALA  36           HA       ALA  36  -9.106  -1.022   4.090
  255    HB1  ALA  36           HB1      ALA  36  -8.406  -2.827   1.769
  256    HB2  ALA  36           HB2      ALA  36  -9.920  -1.944   1.966
  257    HB3  ALA  36           HB3      ALA  36  -9.494  -3.228   3.095
  258    H    LYS  37           H        LYS  37  -6.180  -2.094   2.440
  259    HA   LYS  37           HA       LYS  37  -4.763  -2.477   4.858
  260    HB2  LYS  37           HB2      LYS  37  -6.180  -4.627   4.663
  261    HB3  LYS  37           HB3      LYS  37  -5.300  -4.969   3.183
  262    HG2  LYS  37           HG2      LYS  37  -3.193  -5.064   4.464
  263    HG3  LYS  37           HG3      LYS  37  -4.084  -4.735   5.950
  264    HD2  LYS  37           HD2      LYS  37  -5.406  -6.820   5.506
  265    HD3  LYS  37           HD3      LYS  37  -4.320  -7.149   4.159
  266    HE2  LYS  37           HE2      LYS  37  -3.461  -6.838   7.044
  267    HE3  LYS  37           HE3      LYS  37  -3.711  -8.377   6.234
  268    HZ1  LYS  37           HZ1      LYS  37  -1.815  -8.022   4.870
  269    HZ2  LYS  37           HZ2      LYS  37  -1.366  -7.525   6.413
  270    HZ3  LYS  37           HZ3      LYS  37  -1.739  -6.376   5.266
  271    H    ALA  38           H        ALA  38  -2.548  -3.345   4.190
  272    HA   ALA  38           HA       ALA  38  -1.928  -3.198   1.407
  273    HB1  ALA  38           HB1      ALA  38  -1.630  -0.877   2.158
  274    HB2  ALA  38           HB2      ALA  38  -0.080  -1.645   1.827
  275    HB3  ALA  38           HB3      ALA  38  -0.623  -1.441   3.495
  276    H    GLU  39           H        GLU  39   0.085  -4.289   1.104
  277    HA   GLU  39           HA       GLU  39   1.304  -5.490   3.463
  278    HB2  GLU  39           HB2      GLU  39  -0.771  -6.812   2.887
  279    HB3  GLU  39           HB3      GLU  39  -0.015  -7.211   1.359
  280    HG2  GLU  39           HG2      GLU  39   1.636  -8.519   2.429
  281    HG3  GLU  39           HG3      GLU  39   1.185  -7.902   4.021
  282    H    ASN  40           H        ASN  40   3.312  -6.665   2.869
  283    HA   ASN  40           HA       ASN  40   4.653  -5.319   0.780
  284    HB2  ASN  40           HB2      ASN  40   5.935  -6.106   2.711
  285    HB3  ASN  40           HB3      ASN  40   5.538  -7.777   2.318
  286   HD21  ASN  40          HD21      ASN  40   7.299  -4.971   1.276
  287   HD22  ASN  40          HD22      ASN  40   8.402  -5.793   0.220
  288    H    PHE  41           H        PHE  41   4.771  -5.684  -1.224
  289    HA   PHE  41           HA       PHE  41   3.485  -8.043  -2.340
  290    HB2  PHE  41           HB2      PHE  41   2.809  -5.830  -3.167
  291    HB3  PHE  41           HB3      PHE  41   4.471  -5.463  -3.585
  292    HD1  PHE  41           HD1      PHE  41   1.496  -7.413  -4.503
  293    HD2  PHE  41           HD2      PHE  41   5.459  -6.309  -5.604
  294    HE1  PHE  41           HE1      PHE  41   1.113  -8.278  -6.766
  295    HE2  PHE  41           HE2      PHE  41   5.089  -7.183  -7.852
  296    HZ   PHE  41           HZ       PHE  41   2.907  -8.168  -8.448
  297    H    LYS  42           H        LYS  42   6.524  -6.241  -2.416
  298    HA   LYS  42           HA       LYS  42   8.118  -8.494  -2.907
  299    HB2  LYS  42           HB2      LYS  42   7.031  -8.067  -5.182
  300    HB3  LYS  42           HB3      LYS  42   7.802  -6.497  -5.193
  301    HG2  LYS  42           HG2      LYS  42   9.974  -7.510  -5.333
  302    HG3  LYS  42           HG3      LYS  42   9.270  -9.106  -5.052
  303    HD2  LYS  42           HD2      LYS  42   8.033  -8.930  -7.165
  304    HD3  LYS  42           HD3      LYS  42   8.757  -7.350  -7.448
  305    HE2  LYS  42           HE2      LYS  42   9.849  -9.237  -8.675
  306    HE3  LYS  42           HE3      LYS  42  10.945  -8.306  -7.672
  307    HZ1  LYS  42           HZ1      LYS  42   9.733 -10.919  -6.863
  308    HZ2  LYS  42           HZ2      LYS  42  10.892 -10.036  -6.013
  309    HZ3  LYS  42           HZ3      LYS  42  11.283 -10.712  -7.484
  310    H    ASP  43           H        ASP  43  10.440  -7.322  -3.549
  311    HA   ASP  43           HA       ASP  43  11.082  -5.697  -1.367
  312    HB2  ASP  43           HB2      ASP  43  12.568  -6.020  -3.971
  313    HB3  ASP  43           HB3      ASP  43  13.213  -5.251  -2.529
  314    H    TYR  44           H        TYR  44  10.765  -3.694  -0.987
  315    HA   TYR  44           HA       TYR  44  10.266  -1.504  -1.150
  316    HB2  TYR  44           HB2      TYR  44  11.478  -1.754  -3.921
  317    HB3  TYR  44           HB3      TYR  44  11.013  -0.226  -3.188
  318    HD1  TYR  44           HD1      TYR  44  12.430   0.833  -1.558
  319    HD2  TYR  44           HD2      TYR  44  13.359  -3.057  -2.982
  320    HE1  TYR  44           HE1      TYR  44  14.660   1.005  -0.543
  321    HE2  TYR  44           HE2      TYR  44  15.582  -2.912  -1.973
  322    HH   TYR  44           HH       TYR  44  16.449  -0.517   0.253
  323    H    TYR  45           H        TYR  45   8.367  -3.655  -2.224
  324    HA   TYR  45           HA       TYR  45   6.508  -1.737  -3.459
  325    HB2  TYR  45           HB2      TYR  45   6.897  -4.627  -4.252
  326    HB3  TYR  45           HB3      TYR  45   5.524  -3.646  -4.747
  327    HD1  TYR  45           HD1      TYR  45   6.166  -1.391  -5.895
  328    HD2  TYR  45           HD2      TYR  45   8.733  -4.762  -5.675
  329    HE1  TYR  45           HE1      TYR  45   7.414  -0.563  -7.822
  330    HE2  TYR  45           HE2      TYR  45   9.989  -3.948  -7.598
  331    HH   TYR  45           HH       TYR  45   9.567  -2.422  -9.563
  332    H    CYS  46           H        CYS  46   4.623  -1.603  -2.650
  333    HA   CYS  46           HA       CYS  46   3.720  -3.673  -0.757
  334    HB2  CYS  46           HB2      CYS  46   3.251  -0.689  -0.593
  335    HB3  CYS  46           HB3      CYS  46   2.502  -1.893   0.447
  336    H    ASN  47           H        ASN  47   1.761  -4.482  -1.161
  337    HA   ASN  47           HA       ASN  47   0.314  -3.421  -3.449
  338    HB2  ASN  47           HB2      ASN  47   0.609  -5.892  -3.248
  339    HB3  ASN  47           HB3      ASN  47  -0.305  -5.854  -1.741
  340   HD21  ASN  47          HD21      ASN  47  -2.575  -5.552  -1.826
  341   HD22  ASN  47          HD22      ASN  47  -3.430  -5.653  -3.318
  342    H    CYS  48           H        CYS  48  -0.970  -1.824  -3.064
  343    HA   CYS  48           HA       CYS  48  -2.184  -1.479  -0.466
  344    HB2  CYS  48           HB2      CYS  48  -2.379   0.273  -2.942
  345    HB3  CYS  48           HB3      CYS  48  -2.820   0.681  -1.285
  346    H    HIS  49           H        HIS  49  -4.343  -1.652  -0.099
  347    HA   HIS  49           HA       HIS  49  -5.993  -2.690  -2.282
  348    HB2  HIS  49           HB2      HIS  49  -6.328  -2.979   0.730
  349    HB3  HIS  49           HB3      HIS  49  -7.430  -3.629  -0.476
  350    HD1  HIS  49           HD3      HIS  49  -7.031  -6.035  -0.991
  351    HD2  HIS  49           HD2      HIS  49  -3.615  -4.155   0.420
  352    HE1  HIS  49           HE1      HIS  49  -5.300  -7.842  -0.764
  353    H    ILE  50           H        ILE  50  -6.829  -0.923  -3.091
  354    HA   ILE  50           HA       ILE  50  -7.446   1.310  -1.331
  355    HB   ILE  50           HB       ILE  50  -7.774   1.303  -4.333
  356   HG12  ILE  50          HG12      ILE  50  -5.225   1.988  -2.841
  357   HG13  ILE  50          HG13      ILE  50  -5.470   0.468  -3.690
  358   HG21  ILE  50          HG21      ILE  50  -7.085   3.386  -2.273
  359   HG22  ILE  50          HG22      ILE  50  -8.671   3.182  -3.026
  360   HG23  ILE  50          HG23      ILE  50  -7.282   3.703  -4.000
  361   HD11  ILE  50          HD11      ILE  50  -4.184   2.026  -5.026
  362   HD12  ILE  50          HD12      ILE  50  -5.493   3.208  -4.935
  363   HD13  ILE  50          HD13      ILE  50  -5.738   1.680  -5.783
  364    H    ILE  51           H        ILE  51  -9.434   1.653  -0.661
  365    HA   ILE  51           HA       ILE  51 -11.616  -0.001  -1.592
  366    HB   ILE  51           HB       ILE  51 -11.645   2.268   0.425
  367   HG12  ILE  51          HG12      ILE  51 -11.400  -0.702   0.942
  368   HG13  ILE  51          HG13      ILE  51 -10.069   0.445   1.065
  369   HG21  ILE  51          HG21      ILE  51 -13.854   1.708  -0.449
  370   HG22  ILE  51          HG22      ILE  51 -13.714   1.192   1.234
  371   HG23  ILE  51          HG23      ILE  51 -13.590   0.006  -0.065
  372   HD11  ILE  51          HD11      ILE  51 -10.957  -0.099   3.247
  373   HD12  ILE  51          HD12      ILE  51 -12.566   0.396   2.733
  374   HD13  ILE  51          HD13      ILE  51 -11.278   1.596   2.871
  375    H    ILE  52           H        ILE  52 -12.745   0.603  -3.289
  376    HA   ILE  52           HA       ILE  52 -12.754   3.386  -4.131
  377    HB   ILE  52           HB       ILE  52 -14.215   1.027  -5.386
  378   HG12  ILE  52          HG12      ILE  52 -11.470   2.093  -6.095
  379   HG13  ILE  52          HG13      ILE  52 -11.755   0.616  -5.182
  380   HG21  ILE  52          HG21      ILE  52 -13.333   3.711  -6.479
  381   HG22  ILE  52          HG22      ILE  52 -14.995   3.220  -6.130
  382   HG23  ILE  52          HG23      ILE  52 -14.091   2.432  -7.422
  383   HD11  ILE  52          HD11      ILE  52 -12.913  -0.337  -7.108
  384   HD12  ILE  52          HD12      ILE  52 -11.261   0.145  -7.502
  385   HD13  ILE  52          HD13      ILE  52 -12.620   1.149  -8.011
  386    H    HIS  53           H        HIS  53 -15.211   0.844  -3.699
  387    HA   HIS  53           HA       HIS  53 -16.563   1.676  -1.600
  388    HB2  HIS  53           HB2      HIS  53 -18.670   2.636  -2.530
  389    HB3  HIS  53           HB3      HIS  53 -17.335   3.731  -2.827
  390    HD1  HIS  53           HD3      HIS  53 -19.905   1.651  -4.544
  391    HD2  HIS  53           HD2      HIS  53 -16.673   4.058  -5.518
  392    HE1  HIS  53           HE1      HIS  53 -20.107   2.121  -7.028
  Start of MODEL    2
    1    H1   GLU   1          1HT       GLU   1 -15.296  -4.034  -2.289
    2    H2   GLU   1          2HT       GLU   1 -16.591  -4.319  -3.346
    3    H3   GLU   1          3HT       GLU   1 -16.057  -2.742  -3.072
    4    HA   GLU   1           HA       GLU   1 -14.544  -4.906  -4.331
    5    HB2  GLU   1           HB2      GLU   1 -16.298  -4.032  -5.801
    6    HB3  GLU   1           HB3      GLU   1 -15.726  -2.392  -5.517
    7    HG2  GLU   1           HG2      GLU   1 -13.669  -2.842  -6.650
    8    HG3  GLU   1           HG3      GLU   1 -14.064  -4.553  -6.781
    9    H    GLU   2           H        GLU   2 -12.624  -4.827  -3.819
   10    HA   GLU   2           HA       GLU   2 -11.275  -2.344  -3.078
   11    HB2  GLU   2           HB2      GLU   2 -11.678  -4.203  -1.445
   12    HB3  GLU   2           HB3      GLU   2 -10.736  -5.242  -2.485
   13    HG2  GLU   2           HG2      GLU   2  -8.788  -3.826  -2.085
   14    HG3  GLU   2           HG3      GLU   2  -9.766  -2.834  -1.001
   15    H    THR   3           H        THR   3  -9.224  -2.052  -4.125
   16    HA   THR   3           HA       THR   3  -8.677  -3.923  -6.312
   17    HB   THR   3           HB       THR   3  -8.613  -0.901  -6.474
   18    HG1  THR   3           HG1      THR   3 -10.519  -2.765  -6.719
   19   HG21  THR   3          HG21      THR   3  -6.978  -2.046  -7.978
   20   HG22  THR   3          HG22      THR   3  -8.267  -1.245  -8.871
   21   HG23  THR   3          HG23      THR   3  -8.302  -2.994  -8.654
   22    H    GLU   4           H        GLU   4  -6.526  -4.292  -6.777
   23    HA   GLU   4           HA       GLU   4  -4.659  -3.708  -4.646
   24    HB2  GLU   4           HB2      GLU   4  -4.010  -5.133  -7.211
   25    HB3  GLU   4           HB3      GLU   4  -3.280  -5.336  -5.633
   26    HG2  GLU   4           HG2      GLU   4  -5.971  -6.328  -6.545
   27    HG3  GLU   4           HG3      GLU   4  -4.541  -7.280  -6.186
   28    H    GLU   5           H        GLU   5  -3.151  -2.133  -4.805
   29    HA   GLU   5           HA       GLU   5  -2.243  -1.318  -7.466
   30    HB2  GLU   5           HB2      GLU   5  -3.889   0.356  -6.665
   31    HB3  GLU   5           HB3      GLU   5  -2.907   0.612  -5.233
   32    HG2  GLU   5           HG2      GLU   5  -2.570   2.396  -6.839
   33    HG3  GLU   5           HG3      GLU   5  -1.086   1.469  -6.626
   34    HA   PRO   6           HA       PRO   6   1.504  -2.174  -5.055
   35    HB2  PRO   6           HB2      PRO   6   2.855  -2.147  -7.616
   36    HB3  PRO   6           HB3      PRO   6   2.626  -3.493  -6.501
   37    HG2  PRO   6           HG2      PRO   6   1.390  -3.361  -8.921
   38    HG3  PRO   6           HG3      PRO   6   0.693  -4.185  -7.522
   39    HD2  PRO   6           HD2      PRO   6   0.064  -1.482  -8.633
   40    HD3  PRO   6           HD3      PRO   6  -1.015  -2.736  -7.977
   41    H    ILE   7           H        ILE   7   2.272  -0.415  -4.109
   42    HA   ILE   7           HA       ILE   7   3.148   1.874  -5.744
   43    HB   ILE   7           HB       ILE   7   3.043   3.247  -3.709
   44   HG12  ILE   7          HG12      ILE   7   2.198   0.807  -2.174
   45   HG13  ILE   7          HG13      ILE   7   3.900   1.243  -2.283
   46   HG21  ILE   7          HG21      ILE   7   0.798   3.065  -3.110
   47   HG22  ILE   7          HG22      ILE   7   0.665   1.514  -3.954
   48   HG23  ILE   7          HG23      ILE   7   1.032   2.993  -4.859
   49   HD11  ILE   7          HD11      ILE   7   2.909   2.063  -0.262
   50   HD12  ILE   7          HD12      ILE   7   1.698   2.955  -1.214
   51   HD13  ILE   7          HD13      ILE   7   3.416   3.378  -1.328
   52    H    ARG   8           H        ARG   8   5.157   2.903  -4.992
   53    HA   ARG   8           HA       ARG   8   7.186   0.845  -4.555
   54    HB2  ARG   8           HB2      ARG   8   7.598   3.778  -5.191
   55    HB3  ARG   8           HB3      ARG   8   8.752   2.450  -5.328
   56    HG2  ARG   8           HG2      ARG   8   7.574   1.480  -7.115
   57    HG3  ARG   8           HG3      ARG   8   6.259   2.648  -6.961
   58    HD2  ARG   8           HD2      ARG   8   7.857   4.445  -7.514
   59    HD3  ARG   8           HD3      ARG   8   9.113   3.220  -7.742
   60    HE   ARG   8           HE       ARG   8   7.023   2.418  -9.293
   61   HH11  ARG   8          HH11      ARG   8   9.088   5.301  -9.211
   62   HH12  ARG   8          HH12      ARG   8   8.899   5.632 -10.860
   63   HH21  ARG   8          HH21      ARG   8   6.765   2.864 -11.497
   64   HH22  ARG   8          HH22      ARG   8   7.544   4.205 -12.214
   65    H    HIS   9           H        HIS   9   8.437   0.779  -2.716
   66    HA   HIS   9           HA       HIS   9   8.079   2.917  -0.749
   67    HB2  HIS   9           HB2      HIS   9   6.595   0.883  -0.284
   68    HB3  HIS   9           HB3      HIS   9   8.076  -0.036  -0.065
   69    HD1  HIS   9           HD3      HIS   9   9.463   0.492   2.135
   70    HD2  HIS   9           HD2      HIS   9   5.865   2.515   1.779
   71    HE1  HIS   9           HE1      HIS   9   8.975   1.463   4.419
   72    H    ALA  10           H        ALA  10   9.939   3.247   0.502
   73    HA   ALA  10           HA       ALA  10  12.388   2.388  -0.773
   74    HB1  ALA  10           HB1      ALA  10  11.953   4.272   1.535
   75    HB2  ALA  10           HB2      ALA  10  12.027   4.728  -0.167
   76    HB3  ALA  10           HB3      ALA  10  13.450   4.053   0.630
   77    H    LYS  11           H        LYS  11  11.090   0.221   0.622
   78    HA   LYS  11           HA       LYS  11  13.251  -0.529   2.307
   79    HB2  LYS  11           HB2      LYS  11  11.715   0.531   3.932
   80    HB3  LYS  11           HB3      LYS  11  10.400  -0.477   3.354
   81    HG2  LYS  11           HG2      LYS  11  11.486  -2.448   4.194
   82    HG3  LYS  11           HG3      LYS  11  12.898  -1.501   4.672
   83    HD2  LYS  11           HD2      LYS  11  11.568  -0.267   6.262
   84    HD3  LYS  11           HD3      LYS  11  10.106  -1.097   5.737
   85    HE2  LYS  11           HE2      LYS  11  11.042  -3.225   6.514
   86    HE3  LYS  11           HE3      LYS  11  12.510  -2.394   7.027
   87    HZ1  LYS  11           HZ1      LYS  11  10.921  -2.800   8.847
   88    HZ2  LYS  11           HZ2      LYS  11   9.800  -1.777   8.086
   89    HZ3  LYS  11           HZ3      LYS  11  11.269  -1.174   8.624
   90    H    LYS  12           H        LYS  12  13.593  -2.643   2.088
   91    HA   LYS  12           HA       LYS  12  12.715  -3.994  -0.147
   92    HB2  LYS  12           HB2      LYS  12  14.787  -4.479   1.056
   93    HB3  LYS  12           HB3      LYS  12  13.870  -5.105   2.412
   94    HG2  LYS  12           HG2      LYS  12  13.006  -6.894   0.944
   95    HG3  LYS  12           HG3      LYS  12  14.050  -6.287  -0.346
   96    HD2  LYS  12           HD2      LYS  12  16.014  -6.659   1.076
   97    HD3  LYS  12           HD3      LYS  12  14.964  -7.242   2.359
   98    HE2  LYS  12           HE2      LYS  12  16.012  -9.090   1.129
   99    HE3  LYS  12           HE3      LYS  12  14.256  -9.106   1.005
  100    HZ1  LYS  12           HZ1      LYS  12  16.019  -7.977  -1.114
  101    HZ2  LYS  12           HZ2      LYS  12  14.345  -8.313  -1.181
  102    HZ3  LYS  12           HZ3      LYS  12  15.436  -9.560  -1.099
  103    H    ASN  13           H        ASN  13  11.857  -4.673   3.192
  104    HA   ASN  13           HA       ASN  13   9.271  -5.674   2.294
  105    HB2  ASN  13           HB2      ASN  13  11.002  -7.064   4.365
  106    HB3  ASN  13           HB3      ASN  13   9.337  -7.488   3.996
  107   HD21  ASN  13          HD21      ASN  13   8.897  -8.443   1.951
  108   HD22  ASN  13          HD22      ASN  13  10.162  -9.213   1.051
  109    HA   PRO  14           HA       PRO  14   8.719  -2.641   5.573
  110    HB2  PRO  14           HB2      PRO  14   6.321  -1.860   4.168
  111    HB3  PRO  14           HB3      PRO  14   7.796  -0.925   4.417
  112    HG2  PRO  14           HG2      PRO  14   7.000  -1.854   1.976
  113    HG3  PRO  14           HG3      PRO  14   8.694  -1.566   2.409
  114    HD2  PRO  14           HD2      PRO  14   7.158  -4.128   2.345
  115    HD3  PRO  14           HD3      PRO  14   8.822  -3.779   1.806
  116    H    SER  15           H        SER  15   7.187  -2.500   7.167
  117    HA   SER  15           HA       SER  15   5.623  -4.866   7.495
  118    HB2  SER  15           HB2      SER  15   5.090  -3.816   9.732
  119    HB3  SER  15           HB3      SER  15   6.806  -4.100   9.426
  120    HG   SER  15           HG       SER  15   7.042  -1.938   8.913
  121    H    GLU  16           H        GLU  16   3.349  -4.613   8.346
  122    HA   GLU  16           HA       GLU  16   1.703  -3.587   6.377
  123    HB2  GLU  16           HB2      GLU  16   1.059  -4.274   9.243
  124    HB3  GLU  16           HB3      GLU  16  -0.149  -3.906   8.019
  125    HG2  GLU  16           HG2      GLU  16   0.556  -5.825   6.707
  126    HG3  GLU  16           HG3      GLU  16   1.829  -6.176   7.872
  127    H    GLY  17           H        GLY  17   2.569  -2.138   9.486
  128    HA2  GLY  17           HA2      GLY  17   0.927   0.132   9.354
  129    HA3  GLY  17           HA3      GLY  17   2.426   0.013  10.262
  130    H    GLU  18           H        GLU  18   4.234  -0.372   8.227
  131    HA   GLU  18           HA       GLU  18   4.732   2.266   7.363
  132    HB2  GLU  18           HB2      GLU  18   5.924  -0.336   6.389
  133    HB3  GLU  18           HB3      GLU  18   6.557   1.261   6.023
  134    HG2  GLU  18           HG2      GLU  18   7.044   1.636   8.356
  135    HG3  GLU  18           HG3      GLU  18   6.319   0.085   8.778
  136    H    CYS  19           H        CYS  19   3.727  -0.645   5.599
  137    HA   CYS  19           HA       CYS  19   3.450   0.607   3.125
  138    HB2  CYS  19           HB2      CYS  19   2.165  -1.905   4.186
  139    HB3  CYS  19           HB3      CYS  19   1.941  -1.346   2.538
  140    H    LYS  20           H        LYS  20   0.933   0.049   5.664
  141    HA   LYS  20           HA       LYS  20  -1.050   1.111   3.983
  142    HB2  LYS  20           HB2      LYS  20  -2.570   1.093   5.849
  143    HB3  LYS  20           HB3      LYS  20  -1.645  -0.391   5.839
  144    HG2  LYS  20           HG2      LYS  20  -0.176   0.750   7.609
  145    HG3  LYS  20           HG3      LYS  20  -1.497   1.916   7.742
  146    HD2  LYS  20           HD2      LYS  20  -1.760  -1.085   8.107
  147    HD3  LYS  20           HD3      LYS  20  -1.690   0.088   9.409
  148    HE2  LYS  20           HE2      LYS  20  -3.826   0.195   7.284
  149    HE3  LYS  20           HE3      LYS  20  -3.992  -0.807   8.716
  150    HZ1  LYS  20           HZ1      LYS  20  -3.643   2.176   8.746
  151    HZ2  LYS  20           HZ2      LYS  20  -3.767   1.161  10.073
  152    HZ3  LYS  20           HZ3      LYS  20  -5.071   1.317   9.043
  153    H    LYS  21           H        LYS  21   1.083   2.674   6.298
  154    HA   LYS  21           HA       LYS  21  -0.277   5.134   5.983
  155    HB2  LYS  21           HB2      LYS  21   1.074   4.921   7.944
  156    HB3  LYS  21           HB3      LYS  21   2.520   4.587   6.996
  157    HG2  LYS  21           HG2      LYS  21   2.694   6.788   6.280
  158    HG3  LYS  21           HG3      LYS  21   1.027   7.158   6.682
  159    HD2  LYS  21           HD2      LYS  21   1.582   7.012   9.054
  160    HD3  LYS  21           HD3      LYS  21   3.254   6.620   8.640
  161    HE2  LYS  21           HE2      LYS  21   2.853   9.031   9.221
  162    HE3  LYS  21           HE3      LYS  21   3.599   8.761   7.650
  163    HZ1  LYS  21           HZ1      LYS  21   1.575   9.244   6.548
  164    HZ2  LYS  21           HZ2      LYS  21   1.716  10.451   7.728
  165    HZ3  LYS  21           HZ3      LYS  21   0.662   9.178   7.955
  166    H    ALA  22           H        ALA  22   2.385   3.647   4.256
  167    HA   ALA  22           HA       ALA  22   3.064   5.870   2.664
  168    HB1  ALA  22           HB1      ALA  22   4.105   4.232   1.171
  169    HB2  ALA  22           HB2      ALA  22   3.270   2.930   2.017
  170    HB3  ALA  22           HB3      ALA  22   4.487   3.890   2.858
  171    H    CYS  23           H        CYS  23   0.852   3.170   2.121
  172    HA   CYS  23           HA       CYS  23  -0.153   3.924  -0.370
  173    HB2  CYS  23           HB2      CYS  23  -1.555   2.502   1.897
  174    HB3  CYS  23           HB3      CYS  23  -2.143   2.580   0.241
  175    H    ALA  24           H        ALA  24  -1.151   4.818   2.901
  176    HA   ALA  24           HA       ALA  24  -3.388   6.325   2.195
  177    HB1  ALA  24           HB1      ALA  24  -2.906   5.555   4.456
  178    HB2  ALA  24           HB2      ALA  24  -3.205   7.296   4.400
  179    HB3  ALA  24           HB3      ALA  24  -1.555   6.685   4.550
  180    H    ASP  25           H        ASP  25  -0.119   7.456   3.069
  181    HA   ASP  25           HA       ASP  25  -0.594  10.153   2.564
  182    HB2  ASP  25           HB2      ASP  25   2.012   8.639   2.527
  183    HB3  ASP  25           HB3      ASP  25   1.913  10.381   2.330
  184    H    ALA  26           H        ALA  26   0.553   7.669   0.369
  185    HA   ALA  26           HA       ALA  26   1.088   9.543  -1.706
  186    HB1  ALA  26           HB1      ALA  26   1.498   7.618  -3.111
  187    HB2  ALA  26           HB2      ALA  26   0.771   6.555  -1.907
  188    HB3  ALA  26           HB3      ALA  26   2.273   7.402  -1.540
  189    H    PHE  27           H        PHE  27  -1.837   8.019  -0.638
  190    HA   PHE  27           HA       PHE  27  -2.968   8.694  -3.257
  191    HB2  PHE  27           HB2      PHE  27  -3.653   6.380  -1.493
  192    HB3  PHE  27           HB3      PHE  27  -4.812   6.987  -2.673
  193    HD1  PHE  27           HD1      PHE  27  -4.079   7.160  -5.075
  194    HD2  PHE  27           HD2      PHE  27  -1.901   4.893  -2.183
  195    HE1  PHE  27           HE1      PHE  27  -3.000   5.914  -6.864
  196    HE2  PHE  27           HE2      PHE  27  -0.841   3.637  -3.976
  197    HZ   PHE  27           HZ       PHE  27  -1.368   4.141  -6.327
  198    H    ALA  28           H        ALA  28  -3.805   8.641   0.166
  199    HA   ALA  28           HA       ALA  28  -5.941  10.556  -0.467
  200    HB1  ALA  28           HB1      ALA  28  -6.999   9.844   1.605
  201    HB2  ALA  28           HB2      ALA  28  -5.665   8.733   1.917
  202    HB3  ALA  28           HB3      ALA  28  -6.730   8.468   0.536
  203    H    ASN  29           H        ASN  29  -2.923  10.611   0.293
  204    HA   ASN  29           HA       ASN  29  -1.476  12.087   1.182
  205    HB2  ASN  29           HB2      ASN  29  -3.930  13.822   1.382
  206    HB3  ASN  29           HB3      ASN  29  -2.318  14.389   1.789
  207   HD21  ASN  29          HD21      ASN  29  -0.809  14.653   0.141
  208   HD22  ASN  29          HD22      ASN  29  -1.302  14.766  -1.513
  209    H    GLY  30           H        GLY  30  -2.923  10.208   2.967
  210    HA2  GLY  30           HA2      GLY  30  -1.629  10.219   5.188
  211    HA3  GLY  30           HA3      GLY  30  -2.533  11.697   5.471
  212    H    ASP  31           H        ASP  31  -4.928  10.624   4.153
  213    HA   ASP  31           HA       ASP  31  -5.952   9.275   6.472
  214    HB2  ASP  31           HB2      ASP  31  -7.386  10.895   5.357
  215    HB3  ASP  31           HB3      ASP  31  -7.323   9.953   3.870
  216    H    GLN  32           H        GLN  32  -5.994   7.210   6.837
  217    HA   GLN  32           HA       GLN  32  -5.104   5.455   4.700
  218    HB2  GLN  32           HB2      GLN  32  -5.579   4.649   7.556
  219    HB3  GLN  32           HB3      GLN  32  -4.523   3.894   6.374
  220    HG2  GLN  32           HG2      GLN  32  -3.165   6.054   6.457
  221    HG3  GLN  32           HG3      GLN  32  -4.115   6.455   7.880
  222   HE21  GLN  32          HE21      GLN  32  -1.314   6.051   7.727
  223   HE22  GLN  32          HE22      GLN  32  -0.936   4.723   8.770
  224    H    SER  33           H        SER  33  -8.006   6.520   5.690
  225    HA   SER  33           HA       SER  33  -9.477   4.147   6.133
  226    HB2  SER  33           HB2      SER  33 -10.490   6.823   5.189
  227    HB3  SER  33           HB3      SER  33 -11.423   5.560   6.000
  228    HG   SER  33           HG       SER  33  -9.723   7.443   7.002
  229    H    LYS  34           H        LYS  34  -8.285   5.554   3.286
  230    HA   LYS  34           HA       LYS  34 -10.238   4.303   1.525
  231    HB2  LYS  34           HB2      LYS  34  -7.648   5.731   0.885
  232    HB3  LYS  34           HB3      LYS  34  -8.852   5.223  -0.290
  233    HG2  LYS  34           HG2      LYS  34  -9.315   7.214   1.912
  234    HG3  LYS  34           HG3      LYS  34  -8.959   7.627   0.234
  235    HD2  LYS  34           HD2      LYS  34 -11.007   6.514  -0.488
  236    HD3  LYS  34           HD3      LYS  34 -11.346   6.027   1.173
  237    HE2  LYS  34           HE2      LYS  34 -12.665   7.979   0.523
  238    HE3  LYS  34           HE3      LYS  34 -11.558   8.350   1.835
  239    HZ1  LYS  34           HZ1      LYS  34 -11.615  10.082   0.137
  240    HZ2  LYS  34           HZ2      LYS  34 -11.044   9.010  -1.027
  241    HZ3  LYS  34           HZ3      LYS  34 -10.086   9.427   0.284
  242    H    ILE  35           H        ILE  35  -7.530   3.373   3.206
  243    HA   ILE  35           HA       ILE  35  -6.815   1.281   1.274
  244    HB   ILE  35           HB       ILE  35  -5.182   2.381   3.584
  245   HG12  ILE  35          HG12      ILE  35  -5.395   4.105   1.870
  246   HG13  ILE  35          HG13      ILE  35  -3.757   3.473   1.882
  247   HG21  ILE  35          HG21      ILE  35  -4.623   0.082   3.062
  248   HG22  ILE  35          HG22      ILE  35  -3.308   1.157   2.586
  249   HG23  ILE  35          HG23      ILE  35  -4.397   0.501   1.363
  250   HD11  ILE  35          HD11      ILE  35  -4.510   3.836  -0.382
  251   HD12  ILE  35          HD12      ILE  35  -5.924   2.822  -0.107
  252   HD13  ILE  35          HD13      ILE  35  -4.313   2.104  -0.099
  253    H    ALA  36           H        ALA  36  -7.798  -0.557   1.862
  254    HA   ALA  36           HA       ALA  36  -8.756  -0.953   4.561
  255    HB1  ALA  36           HB1      ALA  36 -10.052  -1.770   2.641
  256    HB2  ALA  36           HB2      ALA  36  -9.629  -3.082   3.741
  257    HB3  ALA  36           HB3      ALA  36  -8.739  -2.873   2.232
  258    H    LYS  37           H        LYS  37  -6.204  -2.162   2.546
  259    HA   LYS  37           HA       LYS  37  -4.789  -3.233   4.808
  260    HB2  LYS  37           HB2      LYS  37  -6.179  -5.133   4.181
  261    HB3  LYS  37           HB3      LYS  37  -5.797  -4.911   2.488
  262    HG2  LYS  37           HG2      LYS  37  -4.623  -6.824   3.339
  263    HG3  LYS  37           HG3      LYS  37  -3.467  -5.551   2.961
  264    HD2  LYS  37           HD2      LYS  37  -3.434  -4.944   5.361
  265    HD3  LYS  37           HD3      LYS  37  -4.487  -6.316   5.694
  266    HE2  LYS  37           HE2      LYS  37  -1.748  -6.441   4.446
  267    HE3  LYS  37           HE3      LYS  37  -2.131  -6.853   6.109
  268    HZ1  LYS  37           HZ1      LYS  37  -3.433  -8.716   5.368
  269    HZ2  LYS  37           HZ2      LYS  37  -1.939  -8.798   4.543
  270    HZ3  LYS  37           HZ3      LYS  37  -3.296  -8.248   3.750
  271    H    ALA  38           H        ALA  38  -2.563  -3.431   4.272
  272    HA   ALA  38           HA       ALA  38  -1.725  -3.024   1.547
  273    HB1  ALA  38           HB1      ALA  38  -0.792  -1.272   3.820
  274    HB2  ALA  38           HB2      ALA  38  -1.829  -0.764   2.487
  275    HB3  ALA  38           HB3      ALA  38  -0.165  -1.254   2.169
  276    H    GLU  39           H        GLU  39  -0.077  -4.336   1.154
  277    HA   GLU  39           HA       GLU  39   1.492  -5.382   3.418
  278    HB2  GLU  39           HB2      GLU  39  -0.566  -6.833   2.956
  279    HB3  GLU  39           HB3      GLU  39   0.156  -7.191   1.405
  280    HG2  GLU  39           HG2      GLU  39   2.052  -8.232   2.490
  281    HG3  GLU  39           HG3      GLU  39   1.393  -7.821   4.072
  282    H    ASN  40           H        ASN  40   3.321  -6.816   2.475
  283    HA   ASN  40           HA       ASN  40   4.709  -5.341   0.507
  284    HB2  ASN  40           HB2      ASN  40   5.910  -6.666   2.183
  285    HB3  ASN  40           HB3      ASN  40   5.225  -8.146   1.518
  286   HD21  ASN  40          HD21      ASN  40   7.554  -5.624   1.060
  287   HD22  ASN  40          HD22      ASN  40   8.429  -6.377  -0.213
  288    H    PHE  41           H        PHE  41   4.696  -5.435  -1.583
  289    HA   PHE  41           HA       PHE  41   3.053  -7.442  -2.952
  290    HB2  PHE  41           HB2      PHE  41   2.583  -5.063  -3.437
  291    HB3  PHE  41           HB3      PHE  41   4.253  -4.836  -3.896
  292    HD1  PHE  41           HD1      PHE  41   4.961  -5.176  -6.101
  293    HD2  PHE  41           HD2      PHE  41   1.166  -6.675  -4.863
  294    HE1  PHE  41           HE1      PHE  41   4.422  -5.734  -8.428
  295    HE2  PHE  41           HE2      PHE  41   0.632  -7.228  -7.183
  296    HZ   PHE  41           HZ       PHE  41   2.250  -6.765  -8.974
  297    H    LYS  42           H        LYS  42   6.262  -6.004  -2.885
  298    HA   LYS  42           HA       LYS  42   7.549  -8.250  -4.032
  299    HB2  LYS  42           HB2      LYS  42   6.478  -6.986  -6.007
  300    HB3  LYS  42           HB3      LYS  42   7.490  -5.628  -5.583
  301    HG2  LYS  42           HG2      LYS  42   9.474  -6.999  -6.041
  302    HG3  LYS  42           HG3      LYS  42   8.417  -8.334  -6.531
  303    HD2  LYS  42           HD2      LYS  42   7.390  -6.704  -8.188
  304    HD3  LYS  42           HD3      LYS  42   8.725  -5.625  -7.815
  305    HE2  LYS  42           HE2      LYS  42   8.987  -8.423  -8.923
  306    HE3  LYS  42           HE3      LYS  42   9.116  -6.945  -9.860
  307    HZ1  LYS  42           HZ1      LYS  42  10.968  -7.763  -7.671
  308    HZ2  LYS  42           HZ2      LYS  42  11.099  -6.356  -8.597
  309    HZ3  LYS  42           HZ3      LYS  42  11.260  -7.852  -9.321
  310    H    ASP  43           H        ASP  43   9.974  -7.430  -4.178
  311    HA   ASP  43           HA       ASP  43  10.633  -6.179  -1.757
  312    HB2  ASP  43           HB2      ASP  43  12.306  -6.583  -4.243
  313    HB3  ASP  43           HB3      ASP  43  12.940  -6.053  -2.688
  314    H    TYR  44           H        TYR  44  10.509  -4.183  -1.213
  315    HA   TYR  44           HA       TYR  44  10.466  -1.955  -1.194
  316    HB2  TYR  44           HB2      TYR  44  11.786  -2.193  -3.913
  317    HB3  TYR  44           HB3      TYR  44  11.475  -0.639  -3.143
  318    HD1  TYR  44           HD1      TYR  44  12.778   0.057  -1.239
  319    HD2  TYR  44           HD2      TYR  44  13.524  -3.692  -3.080
  320    HE1  TYR  44           HE1      TYR  44  14.886  -0.105  -0.012
  321    HE2  TYR  44           HE2      TYR  44  15.646  -3.882  -1.856
  322    HH   TYR  44           HH       TYR  44  16.401  -1.999   0.787
  323    H    TYR  45           H        TYR  45   8.270  -3.628  -2.235
  324    HA   TYR  45           HA       TYR  45   6.643  -1.396  -3.251
  325    HB2  TYR  45           HB2      TYR  45   6.714  -4.186  -4.383
  326    HB3  TYR  45           HB3      TYR  45   5.346  -3.112  -4.590
  327    HD1  TYR  45           HD1      TYR  45   8.670  -3.979  -5.753
  328    HD2  TYR  45           HD2      TYR  45   5.610  -1.039  -5.904
  329    HE1  TYR  45           HE1      TYR  45   9.648  -3.056  -7.792
  330    HE2  TYR  45           HE2      TYR  45   6.598  -0.103  -7.933
  331    HH   TYR  45           HH       TYR  45   8.955  -1.752  -9.713
  332    H    CYS  46           H        CYS  46   4.690  -1.265  -2.477
  333    HA   CYS  46           HA       CYS  46   3.769  -3.394  -0.681
  334    HB2  CYS  46           HB2      CYS  46   3.301  -0.410  -0.436
  335    HB3  CYS  46           HB3      CYS  46   2.510  -1.624   0.564
  336    H    ASN  47           H        ASN  47   1.784  -4.140  -1.022
  337    HA   ASN  47           HA       ASN  47   0.350  -3.233  -3.389
  338    HB2  ASN  47           HB2      ASN  47   0.783  -5.704  -3.004
  339    HB3  ASN  47           HB3      ASN  47  -0.201  -5.585  -1.557
  340   HD21  ASN  47          HD21      ASN  47  -2.456  -5.537  -1.753
  341   HD22  ASN  47          HD22      ASN  47  -3.247  -5.803  -3.229
  342    H    CYS  48           H        CYS  48  -0.965  -1.627  -2.994
  343    HA   CYS  48           HA       CYS  48  -2.174  -1.313  -0.395
  344    HB2  CYS  48           HB2      CYS  48  -2.377   0.454  -2.861
  345    HB3  CYS  48           HB3      CYS  48  -2.825   0.843  -1.197
  346    H    HIS  49           H        HIS  49  -4.273  -1.647  -0.015
  347    HA   HIS  49           HA       HIS  49  -5.859  -2.778  -2.181
  348    HB2  HIS  49           HB2      HIS  49  -6.085  -3.061   0.832
  349    HB3  HIS  49           HB3      HIS  49  -7.217  -3.745  -0.322
  350    HD1  HIS  49           HD3      HIS  49  -6.826  -6.109  -0.673
  351    HD2  HIS  49           HD2      HIS  49  -3.313  -4.121   0.223
  352    HE1  HIS  49           HE1      HIS  49  -5.014  -7.899  -0.611
  353    H    ILE  50           H        ILE  50  -6.691  -1.005  -2.996
  354    HA   ILE  50           HA       ILE  50  -7.533   1.095  -1.198
  355    HB   ILE  50           HB       ILE  50  -7.640   1.143  -4.229
  356   HG12  ILE  50          HG12      ILE  50  -5.409   2.075  -2.390
  357   HG13  ILE  50          HG13      ILE  50  -5.334   0.647  -3.413
  358   HG21  ILE  50          HG21      ILE  50  -8.957   2.843  -3.017
  359   HG22  ILE  50          HG22      ILE  50  -7.555   3.589  -3.821
  360   HG23  ILE  50          HG23      ILE  50  -7.510   3.239  -2.085
  361   HD11  ILE  50          HD11      ILE  50  -5.587   3.495  -4.363
  362   HD12  ILE  50          HD12      ILE  50  -5.506   2.059  -5.389
  363   HD13  ILE  50          HD13      ILE  50  -4.125   2.505  -4.389
  364    H    ILE  51           H        ILE  51  -9.506   1.397  -0.630
  365    HA   ILE  51           HA       ILE  51 -11.596  -0.380  -1.498
  366    HB   ILE  51           HB       ILE  51 -11.822   2.045   0.324
  367   HG12  ILE  51          HG12      ILE  51 -11.317  -0.826   1.135
  368   HG13  ILE  51          HG13      ILE  51 -10.089   0.434   1.131
  369   HG21  ILE  51          HG21      ILE  51 -13.518  -0.444   0.103
  370   HG22  ILE  51          HG22      ILE  51 -13.933   1.137  -0.545
  371   HG23  ILE  51          HG23      ILE  51 -13.800   0.910   1.203
  372   HD11  ILE  51          HD11      ILE  51 -10.960   0.050   3.374
  373   HD12  ILE  51          HD12      ILE  51 -12.590   0.417   2.811
  374   HD13  ILE  51          HD13      ILE  51 -11.355   1.672   2.813
  375    H    ILE  52           H        ILE  52 -12.445   0.120  -3.469
  376    HA   ILE  52           HA       ILE  52 -12.727   2.945  -4.127
  377    HB   ILE  52           HB       ILE  52 -12.956   0.539  -5.969
  378   HG12  ILE  52          HG12      ILE  52 -10.793   2.646  -5.669
  379   HG13  ILE  52          HG13      ILE  52 -10.671   0.963  -5.179
  380   HG21  ILE  52          HG21      ILE  52 -14.390   2.385  -6.717
  381   HG22  ILE  52          HG22      ILE  52 -13.003   2.214  -7.793
  382   HG23  ILE  52          HG23      ILE  52 -13.033   3.503  -6.593
  383   HD11  ILE  52          HD11      ILE  52  -9.499   1.414  -7.275
  384   HD12  ILE  52          HD12      ILE  52 -11.025   1.929  -8.006
  385   HD13  ILE  52          HD13      ILE  52 -10.812   0.258  -7.486
  386    H    HIS  53           H        HIS  53 -14.652  -0.050  -4.354
  387    HA   HIS  53           HA       HIS  53 -16.947   1.673  -3.865
  388    HB2  HIS  53           HB2      HIS  53 -16.870   0.960  -6.256
  389    HB3  HIS  53           HB3      HIS  53 -16.926  -0.716  -5.734
  390    HD1  HIS  53           HD3      HIS  53 -19.106   2.410  -5.777
  391    HD2  HIS  53           HD2      HIS  53 -19.417  -1.700  -5.256
  392    HE1  HIS  53           HE1      HIS  53 -21.566   1.897  -5.712
  Start of MODEL    3
    1    H1   GLU   1          1HT       GLU   1 -15.086  -3.777  -2.644
    2    H2   GLU   1          2HT       GLU   1 -14.020  -4.762  -1.798
    3    H3   GLU   1          3HT       GLU   1 -15.233  -5.477  -2.736
    4    HA   GLU   1           HA       GLU   1 -13.043  -5.655  -3.660
    5    HB2  GLU   1           HB2      GLU   1 -13.509  -4.902  -5.915
    6    HB3  GLU   1           HB3      GLU   1 -15.022  -5.457  -5.234
    7    HG2  GLU   1           HG2      GLU   1 -15.654  -3.134  -4.795
    8    HG3  GLU   1           HG3      GLU   1 -14.115  -2.627  -5.471
    9    H    GLU   2           H        GLU   2 -11.105  -4.794  -3.979
   10    HA   GLU   2           HA       GLU   2 -10.859  -1.914  -3.645
   11    HB2  GLU   2           HB2      GLU   2  -9.085  -3.963  -2.292
   12    HB3  GLU   2           HB3      GLU   2  -8.801  -2.236  -2.317
   13    HG2  GLU   2           HG2      GLU   2  -9.698  -2.516  -0.217
   14    HG3  GLU   2           HG3      GLU   2 -11.134  -2.120  -1.152
   15    H    THR   3           H        THR   3  -9.170  -1.006  -4.773
   16    HA   THR   3           HA       THR   3  -8.234  -2.488  -7.054
   17    HB   THR   3           HB       THR   3  -7.409   0.255  -6.060
   18    HG1  THR   3           HG1      THR   3  -9.412  -0.443  -7.943
   19   HG21  THR   3          HG21      THR   3  -7.316  -0.970  -8.825
   20   HG22  THR   3          HG22      THR   3  -5.924  -0.688  -7.780
   21   HG23  THR   3          HG23      THR   3  -6.841   0.679  -8.417
   22    H    GLU   4           H        GLU   4  -6.416  -3.717  -6.993
   23    HA   GLU   4           HA       GLU   4  -4.610  -3.505  -4.755
   24    HB2  GLU   4           HB2      GLU   4  -4.638  -5.366  -7.147
   25    HB3  GLU   4           HB3      GLU   4  -3.466  -5.444  -5.842
   26    HG2  GLU   4           HG2      GLU   4  -5.250  -5.946  -4.256
   27    HG3  GLU   4           HG3      GLU   4  -6.436  -5.839  -5.557
   28    H    GLU   5           H        GLU   5  -3.524  -1.708  -4.948
   29    HA   GLU   5           HA       GLU   5  -2.195  -1.111  -7.500
   30    HB2  GLU   5           HB2      GLU   5  -3.859   0.539  -6.500
   31    HB3  GLU   5           HB3      GLU   5  -2.717   0.753  -5.190
   32    HG2  GLU   5           HG2      GLU   5  -2.500   2.542  -6.773
   33    HG3  GLU   5           HG3      GLU   5  -1.041   1.550  -6.786
   34    HA   PRO   6           HA       PRO   6   1.318  -2.165  -4.807
   35    HB2  PRO   6           HB2      PRO   6   2.868  -2.602  -7.180
   36    HB3  PRO   6           HB3      PRO   6   2.291  -3.798  -6.018
   37    HG2  PRO   6           HG2      PRO   6   1.383  -3.622  -8.613
   38    HG3  PRO   6           HG3      PRO   6   0.449  -4.322  -7.283
   39    HD2  PRO   6           HD2      PRO   6   0.252  -1.603  -8.515
   40    HD3  PRO   6           HD3      PRO   6  -1.035  -2.686  -7.932
   41    H    ILE   7           H        ILE   7   2.090  -0.366  -4.034
   42    HA   ILE   7           HA       ILE   7   3.102   1.763  -5.786
   43    HB   ILE   7           HB       ILE   7   3.080   3.224  -3.820
   44   HG12  ILE   7          HG12      ILE   7   2.249   0.880  -2.133
   45   HG13  ILE   7          HG13      ILE   7   3.953   1.273  -2.325
   46   HG21  ILE   7          HG21      ILE   7   0.674   1.523  -3.887
   47   HG22  ILE   7          HG22      ILE   7   1.032   2.941  -4.886
   48   HG23  ILE   7          HG23      ILE   7   0.862   3.102  -3.127
   49   HD11  ILE   7          HD11      ILE   7   3.046   2.225  -0.310
   50   HD12  ILE   7          HD12      ILE   7   1.831   3.097  -1.277
   51   HD13  ILE   7          HD13      ILE   7   3.552   3.468  -1.461
   52    H    ARG   8           H        ARG   8   5.095   2.808  -5.026
   53    HA   ARG   8           HA       ARG   8   7.165   0.817  -4.601
   54    HB2  ARG   8           HB2      ARG   8   7.311   3.779  -5.185
   55    HB3  ARG   8           HB3      ARG   8   8.685   2.706  -4.990
   56    HG2  ARG   8           HG2      ARG   8   8.064   1.462  -6.920
   57    HG3  ARG   8           HG3      ARG   8   6.611   2.455  -7.144
   58    HD2  ARG   8           HD2      ARG   8   8.487   3.135  -8.599
   59    HD3  ARG   8           HD3      ARG   8   7.994   4.413  -7.487
   60    HE   ARG   8           HE       ARG   8  10.030   2.937  -6.284
   61   HH11  ARG   8          HH11      ARG   8   9.692   5.008  -9.153
   62   HH12  ARG   8          HH12      ARG   8  11.222   5.710  -9.003
   63   HH21  ARG   8          HH21      ARG   8  12.152   3.906  -6.065
   64   HH22  ARG   8          HH22      ARG   8  12.681   5.061  -7.193
   65    H    HIS   9           H        HIS   9   8.624   0.945  -2.885
   66    HA   HIS   9           HA       HIS   9   8.142   2.915  -0.794
   67    HB2  HIS   9           HB2      HIS   9   6.896   0.652  -0.423
   68    HB3  HIS   9           HB3      HIS   9   8.497  -0.028  -0.184
   69    HD1  HIS   9           HD3      HIS   9   9.406   0.133   2.141
   70    HD2  HIS   9           HD2      HIS   9   6.168   2.647   1.512
   71    HE1  HIS   9           HE1      HIS   9   8.823   1.171   4.419
   72    H    ALA  10           H        ALA  10  10.130   3.160   0.539
   73    HA   ALA  10           HA       ALA  10  12.464   2.568  -1.090
   74    HB1  ALA  10           HB1      ALA  10  13.651   4.185   0.234
   75    HB2  ALA  10           HB2      ALA  10  12.328   4.277   1.388
   76    HB3  ALA  10           HB3      ALA  10  12.101   4.867  -0.261
   77    H    LYS  11           H        LYS  11  11.039   1.538   1.840
   78    HA   LYS  11           HA       LYS  11  13.408   0.069   2.600
   79    HB2  LYS  11           HB2      LYS  11  10.610   0.175   3.748
   80    HB3  LYS  11           HB3      LYS  11  11.883  -0.854   4.383
   81    HG2  LYS  11           HG2      LYS  11  13.201   1.045   5.012
   82    HG3  LYS  11           HG3      LYS  11  12.089   2.144   4.203
   83    HD2  LYS  11           HD2      LYS  11  11.797   2.120   6.660
   84    HD3  LYS  11           HD3      LYS  11  10.344   1.619   5.798
   85    HE2  LYS  11           HE2      LYS  11  10.849  -0.708   6.262
   86    HE3  LYS  11           HE3      LYS  11  12.359  -0.247   7.047
   87    HZ1  LYS  11           HZ1      LYS  11  10.525  -0.708   8.612
   88    HZ2  LYS  11           HZ2      LYS  11   9.666   0.624   8.007
   89    HZ3  LYS  11           HZ3      LYS  11  11.150   0.840   8.760
   90    H    LYS  12           H        LYS  12  13.796  -1.877   1.918
   91    HA   LYS  12           HA       LYS  12  12.589  -3.032  -0.261
   92    HB2  LYS  12           HB2      LYS  12  14.849  -3.523   0.416
   93    HB3  LYS  12           HB3      LYS  12  14.278  -4.303   1.883
   94    HG2  LYS  12           HG2      LYS  12  13.139  -5.993   0.471
   95    HG3  LYS  12           HG3      LYS  12  13.887  -5.247  -0.943
   96    HD2  LYS  12           HD2      LYS  12  16.083  -5.721  -0.080
   97    HD3  LYS  12           HD3      LYS  12  15.392  -6.347   1.420
   98    HE2  LYS  12           HE2      LYS  12  14.276  -8.111   0.167
   99    HE3  LYS  12           HE3      LYS  12  14.966  -7.491  -1.330
  100    HZ1  LYS  12           HZ1      LYS  12  16.507  -8.581   0.966
  101    HZ2  LYS  12           HZ2      LYS  12  17.165  -7.981  -0.460
  102    HZ3  LYS  12           HZ3      LYS  12  16.222  -9.365  -0.494
  103    H    ASN  13           H        ASN  13  12.092  -3.791   3.130
  104    HA   ASN  13           HA       ASN  13   9.789  -5.425   2.342
  105    HB2  ASN  13           HB2      ASN  13  11.765  -6.151   4.522
  106    HB3  ASN  13           HB3      ASN  13  10.215  -6.947   4.287
  107   HD21  ASN  13          HD21      ASN  13   9.944  -8.297   2.463
  108   HD22  ASN  13          HD22      ASN  13  11.310  -8.884   1.588
  109    HA   PRO  14           HA       PRO  14   8.342  -2.379   5.297
  110    HB2  PRO  14           HB2      PRO  14   5.993  -2.149   3.678
  111    HB3  PRO  14           HB3      PRO  14   7.272  -0.958   3.904
  112    HG2  PRO  14           HG2      PRO  14   6.773  -2.270   1.533
  113    HG3  PRO  14           HG3      PRO  14   8.325  -1.543   1.972
  114    HD2  PRO  14           HD2      PRO  14   7.456  -4.387   2.098
  115    HD3  PRO  14           HD3      PRO  14   9.028  -3.688   1.639
  116    H    SER  15           H        SER  15   6.892  -2.724   6.889
  117    HA   SER  15           HA       SER  15   5.554  -5.246   6.959
  118    HB2  SER  15           HB2      SER  15   5.560  -2.951   8.922
  119    HB3  SER  15           HB3      SER  15   5.054  -4.610   9.262
  120    HG   SER  15           HG       SER  15   7.302  -5.080   8.421
  121    H    GLU  16           H        GLU  16   3.217  -5.190   7.765
  122    HA   GLU  16           HA       GLU  16   1.593  -4.134   5.755
  123    HB2  GLU  16           HB2      GLU  16   0.775  -5.076   8.504
  124    HB3  GLU  16           HB3      GLU  16  -0.279  -4.943   7.098
  125    HG2  GLU  16           HG2      GLU  16   0.963  -6.622   5.933
  126    HG3  GLU  16           HG3      GLU  16   2.155  -6.705   7.217
  127    H    GLY  17           H        GLY  17   2.234  -2.938   8.997
  128    HA2  GLY  17           HA2      GLY  17   0.423  -0.753   8.882
  129    HA3  GLY  17           HA3      GLY  17   1.782  -0.904   9.987
  130    H    GLU  18           H        GLU  18   3.853  -1.099   8.137
  131    HA   GLU  18           HA       GLU  18   4.541   1.554   7.522
  132    HB2  GLU  18           HB2      GLU  18   5.502  -1.007   6.219
  133    HB3  GLU  18           HB3      GLU  18   6.270   0.556   6.033
  134    HG2  GLU  18           HG2      GLU  18   5.961  -0.851   8.666
  135    HG3  GLU  18           HG3      GLU  18   7.376  -1.007   7.624
  136    H    CYS  19           H        CYS  19   3.420  -1.074   5.449
  137    HA   CYS  19           HA       CYS  19   3.236   0.379   3.104
  138    HB2  CYS  19           HB2      CYS  19   1.777  -2.099   3.977
  139    HB3  CYS  19           HB3      CYS  19   1.648  -1.428   2.361
  140    H    LYS  20           H        LYS  20   0.634  -0.268   5.516
  141    HA   LYS  20           HA       LYS  20  -1.344   1.053   4.015
  142    HB2  LYS  20           HB2      LYS  20  -1.993  -0.380   5.867
  143    HB3  LYS  20           HB3      LYS  20  -1.205   0.687   7.023
  144    HG2  LYS  20           HG2      LYS  20  -2.810   2.452   6.512
  145    HG3  LYS  20           HG3      LYS  20  -3.569   1.432   5.298
  146    HD2  LYS  20           HD2      LYS  20  -3.416   0.736   8.232
  147    HD3  LYS  20           HD3      LYS  20  -4.786   1.560   7.490
  148    HE2  LYS  20           HE2      LYS  20  -5.054  -0.379   5.960
  149    HE3  LYS  20           HE3      LYS  20  -3.750  -1.192   6.819
  150    HZ1  LYS  20           HZ1      LYS  20  -5.079  -1.181   8.817
  151    HZ2  LYS  20           HZ2      LYS  20  -5.981  -1.860   7.550
  152    HZ3  LYS  20           HZ3      LYS  20  -6.284  -0.294   8.050
  153    H    LYS  21           H        LYS  21   0.933   2.299   6.366
  154    HA   LYS  21           HA       LYS  21  -0.105   4.916   6.432
  155    HB2  LYS  21           HB2      LYS  21   1.404   4.040   8.151
  156    HB3  LYS  21           HB3      LYS  21   2.693   3.893   6.971
  157    HG2  LYS  21           HG2      LYS  21   3.010   5.828   8.406
  158    HG3  LYS  21           HG3      LYS  21   2.764   6.309   6.728
  159    HD2  LYS  21           HD2      LYS  21   0.428   6.850   7.219
  160    HD3  LYS  21           HD3      LYS  21   0.657   6.346   8.895
  161    HE2  LYS  21           HE2      LYS  21   0.781   8.792   8.623
  162    HE3  LYS  21           HE3      LYS  21   2.292   8.109   9.225
  163    HZ1  LYS  21           HZ1      LYS  21   1.752   8.840   6.389
  164    HZ2  LYS  21           HZ2      LYS  21   3.203   8.240   7.004
  165    HZ3  LYS  21           HZ3      LYS  21   2.666   9.749   7.472
  166    H    ALA  22           H        ALA  22   2.519   3.448   4.526
  167    HA   ALA  22           HA       ALA  22   3.236   5.752   3.092
  168    HB1  ALA  22           HB1      ALA  22   4.381   4.239   1.566
  169    HB2  ALA  22           HB2      ALA  22   3.504   2.870   2.249
  170    HB3  ALA  22           HB3      ALA  22   4.659   3.762   3.242
  171    H    CYS  23           H        CYS  23   1.060   3.092   2.244
  172    HA   CYS  23           HA       CYS  23   0.230   3.992  -0.274
  173    HB2  CYS  23           HB2      CYS  23  -1.347   2.434   1.775
  174    HB3  CYS  23           HB3      CYS  23  -1.807   2.622   0.091
  175    H    ALA  24           H        ALA  24  -0.979   4.797   2.948
  176    HA   ALA  24           HA       ALA  24  -3.205   6.272   2.145
  177    HB1  ALA  24           HB1      ALA  24  -2.813   5.540   4.433
  178    HB2  ALA  24           HB2      ALA  24  -3.079   7.285   4.359
  179    HB3  ALA  24           HB3      ALA  24  -1.446   6.645   4.564
  180    H    ASP  25           H        ASP  25   0.006   7.429   3.147
  181    HA   ASP  25           HA       ASP  25  -0.328  10.103   2.462
  182    HB2  ASP  25           HB2      ASP  25   2.128   8.398   2.674
  183    HB3  ASP  25           HB3      ASP  25   2.236  10.086   2.199
  184    H    ALA  26           H        ALA  26   0.669   7.435   0.468
  185    HA   ALA  26           HA       ALA  26   1.496   9.015  -1.729
  186    HB1  ALA  26           HB1      ALA  26   0.729   6.106  -1.697
  187    HB2  ALA  26           HB2      ALA  26   2.330   6.745  -1.329
  188    HB3  ALA  26           HB3      ALA  26   1.660   6.932  -2.949
  189    H    PHE  27           H        PHE  27  -1.661   7.983  -0.695
  190    HA   PHE  27           HA       PHE  27  -2.620   8.790  -3.348
  191    HB2  PHE  27           HB2      PHE  27  -3.563   6.459  -1.719
  192    HB3  PHE  27           HB3      PHE  27  -4.564   7.191  -2.970
  193    HD1  PHE  27           HD1      PHE  27  -1.907   4.844  -2.313
  194    HD2  PHE  27           HD2      PHE  27  -3.605   7.395  -5.282
  195    HE1  PHE  27           HE1      PHE  27  -0.806   3.565  -4.050
  196    HE2  PHE  27           HE2      PHE  27  -2.476   6.118  -7.022
  197    HZ   PHE  27           HZ       PHE  27  -1.070   4.187  -6.416
  198    H    ALA  28           H        ALA  28  -3.716   8.401  -0.013
  199    HA   ALA  28           HA       ALA  28  -5.774  10.417  -0.540
  200    HB1  ALA  28           HB1      ALA  28  -5.473   8.554   1.814
  201    HB2  ALA  28           HB2      ALA  28  -6.508   8.274   0.415
  202    HB3  ALA  28           HB3      ALA  28  -6.838   9.627   1.497
  203    H    ASN  29           H        ASN  29  -2.773  10.594   0.127
  204    HA   ASN  29           HA       ASN  29  -1.404  12.181   0.972
  205    HB2  ASN  29           HB2      ASN  29  -4.020  13.614   1.141
  206    HB3  ASN  29           HB3      ASN  29  -2.577  14.351   1.823
  207   HD21  ASN  29          HD21      ASN  29  -1.012  15.117   0.474
  208   HD22  ASN  29          HD22      ASN  29  -1.210  15.237  -1.229
  209    H    GLY  30           H        GLY  30  -2.703  10.163   2.793
  210    HA2  GLY  30           HA2      GLY  30  -1.339  10.054   4.932
  211    HA3  GLY  30           HA3      GLY  30  -2.125  11.582   5.306
  212    H    ASP  31           H        ASP  31  -4.647  10.736   4.084
  213    HA   ASP  31           HA       ASP  31  -5.743   9.484   6.400
  214    HB2  ASP  31           HB2      ASP  31  -7.156  11.051   5.217
  215    HB3  ASP  31           HB3      ASP  31  -7.025  10.109   3.733
  216    H    GLN  32           H        GLN  32  -6.136   7.446   6.815
  217    HA   GLN  32           HA       GLN  32  -5.234   5.506   4.819
  218    HB2  GLN  32           HB2      GLN  32  -5.763   5.050   7.741
  219    HB3  GLN  32           HB3      GLN  32  -4.857   4.021   6.638
  220    HG2  GLN  32           HG2      GLN  32  -3.184   5.856   6.417
  221    HG3  GLN  32           HG3      GLN  32  -4.069   6.732   7.662
  222   HE21  GLN  32          HE21      GLN  32  -1.999   4.120   6.955
  223   HE22  GLN  32          HE22      GLN  32  -1.660   3.672   8.590
  224    H    SER  33           H        SER  33  -8.095   6.830   5.382
  225    HA   SER  33           HA       SER  33  -9.623   4.524   6.171
  226    HB2  SER  33           HB2      SER  33 -10.633   7.188   5.195
  227    HB3  SER  33           HB3      SER  33 -11.475   6.011   6.209
  228    HG   SER  33           HG       SER  33  -9.555   7.871   6.821
  229    H    LYS  34           H        LYS  34  -8.493   5.855   3.290
  230    HA   LYS  34           HA       LYS  34 -10.517   4.524   1.647
  231    HB2  LYS  34           HB2      LYS  34  -8.187   6.288   0.877
  232    HB3  LYS  34           HB3      LYS  34  -9.335   5.592  -0.261
  233    HG2  LYS  34           HG2      LYS  34 -11.155   6.824   0.838
  234    HG3  LYS  34           HG3      LYS  34  -9.982   7.515   1.959
  235    HD2  LYS  34           HD2      LYS  34 -10.505   9.112   0.188
  236    HD3  LYS  34           HD3      LYS  34  -8.826   8.595   0.070
  237    HE2  LYS  34           HE2      LYS  34  -9.827   8.685  -2.140
  238    HE3  LYS  34           HE3      LYS  34  -9.473   7.015  -1.727
  239    HZ1  LYS  34           HZ1      LYS  34 -12.124   8.329  -1.595
  240    HZ2  LYS  34           HZ2      LYS  34 -11.819   6.720  -1.175
  241    HZ3  LYS  34           HZ3      LYS  34 -11.611   7.227  -2.757
  242    H    ILE  35           H        ILE  35  -7.843   3.703   3.201
  243    HA   ILE  35           HA       ILE  35  -6.929   1.763   1.184
  244    HB   ILE  35           HB       ILE  35  -5.478   2.688   3.688
  245   HG12  ILE  35          HG12      ILE  35  -5.588   4.554   2.096
  246   HG13  ILE  35          HG13      ILE  35  -3.946   3.941   2.214
  247   HG21  ILE  35          HG21      ILE  35  -4.514   1.006   1.376
  248   HG22  ILE  35          HG22      ILE  35  -4.857   0.444   3.008
  249   HG23  ILE  35          HG23      ILE  35  -3.518   1.557   2.726
  250   HD11  ILE  35          HD11      ILE  35  -5.899   3.384  -0.010
  251   HD12  ILE  35          HD12      ILE  35  -4.262   2.740   0.102
  252   HD13  ILE  35          HD13      ILE  35  -4.515   4.476  -0.079
  253    H    ALA  36           H        ALA  36  -7.885  -0.145   1.582
  254    HA   ALA  36           HA       ALA  36  -9.104  -0.789   4.092
  255    HB1  ALA  36           HB1      ALA  36  -9.937  -1.732   1.986
  256    HB2  ALA  36           HB2      ALA  36  -9.474  -3.010   3.112
  257    HB3  ALA  36           HB3      ALA  36  -8.415  -2.595   1.766
  258    H    LYS  37           H        LYS  37  -6.393  -2.239   2.364
  259    HA   LYS  37           HA       LYS  37  -4.884  -2.401   4.792
  260    HB2  LYS  37           HB2      LYS  37  -6.162  -4.614   4.614
  261    HB3  LYS  37           HB3      LYS  37  -5.329  -4.891   3.087
  262    HG2  LYS  37           HG2      LYS  37  -3.166  -4.675   4.322
  263    HG3  LYS  37           HG3      LYS  37  -4.092  -4.630   5.817
  264    HD2  LYS  37           HD2      LYS  37  -4.903  -6.889   5.349
  265    HD3  LYS  37           HD3      LYS  37  -3.985  -6.897   3.832
  266    HE2  LYS  37           HE2      LYS  37  -1.921  -6.496   5.101
  267    HE3  LYS  37           HE3      LYS  37  -2.840  -6.551   6.596
  268    HZ1  LYS  37           HZ1      LYS  37  -3.396  -8.884   6.067
  269    HZ2  LYS  37           HZ2      LYS  37  -1.741  -8.566   6.231
  270    HZ3  LYS  37           HZ3      LYS  37  -2.367  -8.790   4.702
  271    H    ALA  38           H        ALA  38  -2.633  -2.951   4.180
  272    HA   ALA  38           HA       ALA  38  -2.007  -2.930   1.382
  273    HB1  ALA  38           HB1      ALA  38  -0.882  -0.945   3.344
  274    HB2  ALA  38           HB2      ALA  38  -2.003  -0.572   2.035
  275    HB3  ALA  38           HB3      ALA  38  -0.377  -1.145   1.665
  276    H    GLU  39           H        GLU  39  -0.588  -4.481   1.140
  277    HA   GLU  39           HA       GLU  39   0.947  -5.327   3.525
  278    HB2  GLU  39           HB2      GLU  39  -1.002  -6.831   2.926
  279    HB3  GLU  39           HB3      GLU  39  -0.200  -7.162   1.403
  280    HG2  GLU  39           HG2      GLU  39   1.690  -8.144   2.634
  281    HG3  GLU  39           HG3      GLU  39   0.851  -7.828   4.150
  282    H    ASN  40           H        ASN  40   2.985  -6.497   2.940
  283    HA   ASN  40           HA       ASN  40   4.441  -5.123   0.947
  284    HB2  ASN  40           HB2      ASN  40   5.562  -6.113   2.910
  285    HB3  ASN  40           HB3      ASN  40   5.097  -7.721   2.378
  286   HD21  ASN  40          HD21      ASN  40   6.340  -5.175   0.179
  287   HD22  ASN  40          HD22      ASN  40   7.785  -6.009  -0.167
  288    H    PHE  41           H        PHE  41   4.290  -5.376  -1.126
  289    HA   PHE  41           HA       PHE  41   2.910  -7.650  -2.251
  290    HB2  PHE  41           HB2      PHE  41   2.403  -5.364  -3.045
  291    HB3  PHE  41           HB3      PHE  41   4.073  -5.169  -3.516
  292    HD1  PHE  41           HD1      PHE  41   4.616  -5.445  -5.727
  293    HD2  PHE  41           HD2      PHE  41   1.245  -7.540  -4.171
  294    HE1  PHE  41           HE1      PHE  41   4.134  -6.338  -7.966
  295    HE2  PHE  41           HE2      PHE  41   0.771  -8.424  -6.407
  296    HZ   PHE  41           HZ       PHE  41   2.212  -7.831  -8.303
  297    H    LYS  42           H        LYS  42   6.018  -6.010  -2.634
  298    HA   LYS  42           HA       LYS  42   7.334  -8.442  -3.327
  299    HB2  LYS  42           HB2      LYS  42   6.163  -7.689  -5.424
  300    HB3  LYS  42           HB3      LYS  42   7.034  -6.175  -5.332
  301    HG2  LYS  42           HG2      LYS  42   9.125  -7.308  -5.698
  302    HG3  LYS  42           HG3      LYS  42   8.311  -8.867  -5.648
  303    HD2  LYS  42           HD2      LYS  42   7.746  -6.705  -7.665
  304    HD3  LYS  42           HD3      LYS  42   8.814  -8.071  -7.959
  305    HE2  LYS  42           HE2      LYS  42   5.848  -8.266  -7.323
  306    HE3  LYS  42           HE3      LYS  42   6.566  -8.407  -8.918
  307    HZ1  LYS  42           HZ1      LYS  42   7.159 -10.246  -6.653
  308    HZ2  LYS  42           HZ2      LYS  42   7.707 -10.393  -8.241
  309    HZ3  LYS  42           HZ3      LYS  42   6.074 -10.562  -7.897
  310    H    ASP  43           H        ASP  43   9.715  -7.718  -3.765
  311    HA   ASP  43           HA       ASP  43  10.696  -6.168  -1.677
  312    HB2  ASP  43           HB2      ASP  43  12.067  -6.502  -4.366
  313    HB3  ASP  43           HB3      ASP  43  12.842  -6.133  -2.837
  314    H    TYR  44           H        TYR  44  10.504  -4.097  -1.307
  315    HA   TYR  44           HA       TYR  44  10.439  -1.853  -1.503
  316    HB2  TYR  44           HB2      TYR  44  11.371  -2.342  -4.340
  317    HB3  TYR  44           HB3      TYR  44  11.122  -0.739  -3.670
  318    HD1  TYR  44           HD1      TYR  44  12.553   0.051  -1.836
  319    HD2  TYR  44           HD2      TYR  44  13.335  -3.620  -3.825
  320    HE1  TYR  44           HE1      TYR  44  14.814   0.069  -0.949
  321    HE2  TYR  44           HE2      TYR  44  15.621  -3.625  -2.930
  322    HH   TYR  44           HH       TYR  44  16.579  -1.568  -0.421
  323    H    TYR  45           H        TYR  45   8.141  -3.704  -2.353
  324    HA   TYR  45           HA       TYR  45   6.458  -1.509  -3.347
  325    HB2  TYR  45           HB2      TYR  45   6.471  -4.318  -4.463
  326    HB3  TYR  45           HB3      TYR  45   5.191  -3.151  -4.759
  327    HD1  TYR  45           HD1      TYR  45   5.882  -0.936  -5.846
  328    HD2  TYR  45           HD2      TYR  45   8.331  -4.403  -5.895
  329    HE1  TYR  45           HE1      TYR  45   7.103  -0.025  -7.757
  330    HE2  TYR  45           HE2      TYR  45   9.571  -3.490  -7.809
  331    HH   TYR  45           HH       TYR  45   9.064  -1.821  -9.716
  332    H    CYS  46           H        CYS  46   4.491  -1.381  -2.592
  333    HA   CYS  46           HA       CYS  46   3.564  -3.458  -0.718
  334    HB2  CYS  46           HB2      CYS  46   3.187  -0.464  -0.547
  335    HB3  CYS  46           HB3      CYS  46   2.281  -1.616   0.423
  336    H    ASN  47           H        ASN  47   1.553  -4.213  -1.012
  337    HA   ASN  47           HA       ASN  47   0.143  -3.273  -3.389
  338    HB2  ASN  47           HB2      ASN  47   0.516  -5.760  -3.068
  339    HB3  ASN  47           HB3      ASN  47  -0.488  -5.665  -1.627
  340   HD21  ASN  47          HD21      ASN  47  -2.751  -5.468  -1.875
  341   HD22  ASN  47          HD22      ASN  47  -3.486  -5.672  -3.410
  342    H    CYS  48           H        CYS  48  -1.012  -1.579  -2.913
  343    HA   CYS  48           HA       CYS  48  -2.289  -1.307  -0.341
  344    HB2  CYS  48           HB2      CYS  48  -2.445   0.552  -2.716
  345    HB3  CYS  48           HB3      CYS  48  -2.664   0.907  -0.998
  346    H    HIS  49           H        HIS  49  -4.513  -1.339  -0.110
  347    HA   HIS  49           HA       HIS  49  -6.002  -2.332  -2.410
  348    HB2  HIS  49           HB2      HIS  49  -6.462  -2.725   0.565
  349    HB3  HIS  49           HB3      HIS  49  -7.583  -3.256  -0.680
  350    HD1  HIS  49           HD3      HIS  49  -7.289  -5.688  -1.342
  351    HD2  HIS  49           HD2      HIS  49  -3.821  -4.012   0.238
  352    HE1  HIS  49           HE1      HIS  49  -5.642  -7.550  -1.202
  353    H    ILE  50           H        ILE  50  -6.714  -0.531  -3.247
  354    HA   ILE  50           HA       ILE  50  -7.548   1.671  -1.557
  355    HB   ILE  50           HB       ILE  50  -8.029   1.619  -4.520
  356   HG12  ILE  50          HG12      ILE  50  -5.675   0.811  -4.264
  357   HG13  ILE  50          HG13      ILE  50  -5.756   2.399  -5.005
  358   HG21  ILE  50          HG21      ILE  50  -8.809   3.493  -3.188
  359   HG22  ILE  50          HG22      ILE  50  -7.477   4.028  -4.240
  360   HG23  ILE  50          HG23      ILE  50  -7.185   3.679  -2.526
  361   HD11  ILE  50          HD11      ILE  50  -3.927   2.247  -3.437
  362   HD12  ILE  50          HD12      ILE  50  -5.039   1.801  -2.141
  363   HD13  ILE  50          HD13      ILE  50  -5.123   3.410  -2.861
  364    H    ILE  51           H        ILE  51  -9.555   1.774  -0.813
  365    HA   ILE  51           HA       ILE  51 -11.474  -0.203  -1.439
  366    HB   ILE  51           HB       ILE  51 -11.865   2.382   0.102
  367   HG12  ILE  51          HG12      ILE  51 -11.294  -0.416   1.087
  368   HG13  ILE  51          HG13      ILE  51 -10.107   0.879   1.016
  369   HG21  ILE  51          HG21      ILE  51 -13.551  -0.132   0.041
  370   HG22  ILE  51          HG22      ILE  51 -13.998   1.424  -0.652
  371   HG23  ILE  51          HG23      ILE  51 -13.819   1.257   1.096
  372   HD11  ILE  51          HD11      ILE  51 -10.962   0.568   3.269
  373   HD12  ILE  51          HD12      ILE  51 -12.606   0.852   2.693
  374   HD13  ILE  51          HD13      ILE  51 -11.417   2.153   2.639
  375    H    ILE  52           H        ILE  52 -12.846  -0.317  -3.027
  376    HA   ILE  52           HA       ILE  52 -13.572   2.120  -4.509
  377    HB   ILE  52           HB       ILE  52 -14.177  -0.758  -5.201
  378   HG12  ILE  52          HG12      ILE  52 -11.918   0.934  -6.293
  379   HG13  ILE  52          HG13      ILE  52 -11.720  -0.365  -5.123
  380   HG21  ILE  52          HG21      ILE  52 -15.640   0.818  -6.292
  381   HG22  ILE  52          HG22      ILE  52 -14.517   0.161  -7.487
  382   HG23  ILE  52          HG23      ILE  52 -14.261   1.776  -6.822
  383   HD11  ILE  52          HD11      ILE  52 -12.560  -1.968  -6.773
  384   HD12  ILE  52          HD12      ILE  52 -11.138  -1.104  -7.348
  385   HD13  ILE  52          HD13      ILE  52 -12.739  -0.656  -7.941
  386    H    HIS  53           H        HIS  53 -14.958  -0.921  -3.358
  387    HA   HIS  53           HA       HIS  53 -17.290   0.404  -2.287
  388    HB2  HIS  53           HB2      HIS  53 -17.395  -1.975  -4.183
  389    HB3  HIS  53           HB3      HIS  53 -18.753  -1.379  -3.250
  390    HD1  HIS  53           HD3      HIS  53 -17.391  -1.257  -6.524
  391    HD2  HIS  53           HD2      HIS  53 -19.318   1.463  -4.041
  392    HE1  HIS  53           HE1      HIS  53 -18.300   0.543  -8.039
  Start of MODEL    4
    1    H1   GLU   1          1HT       GLU   1 -12.642  -6.342  -3.916
    2    H2   GLU   1          2HT       GLU   1 -14.166  -6.679  -3.246
    3    H3   GLU   1          3HT       GLU   1 -13.074  -5.666  -2.443
    4    HA   GLU   1           HA       GLU   1 -14.175  -4.983  -5.064
    5    HB2  GLU   1           HB2      GLU   1 -15.625  -3.391  -3.810
    6    HB3  GLU   1           HB3      GLU   1 -16.034  -5.067  -3.511
    7    HG2  GLU   1           HG2      GLU   1 -14.890  -4.968  -1.359
    8    HG3  GLU   1           HG3      GLU   1 -14.434  -3.296  -1.676
    9    H    GLU   2           H        GLU   2 -11.403  -4.910  -4.103
   10    HA   GLU   2           HA       GLU   2 -11.082  -2.027  -3.672
   11    HB2  GLU   2           HB2      GLU   2  -9.103  -4.198  -2.916
   12    HB3  GLU   2           HB3      GLU   2  -8.955  -2.489  -2.588
   13    HG2  GLU   2           HG2      GLU   2  -9.521  -3.441  -0.534
   14    HG3  GLU   2           HG3      GLU   2 -11.042  -2.777  -1.129
   15    H    THR   3           H        THR   3  -9.064  -1.198  -4.623
   16    HA   THR   3           HA       THR   3  -8.376  -2.658  -7.042
   17    HB   THR   3           HB       THR   3  -9.172  -0.301  -7.398
   18    HG1  THR   3           HG1      THR   3  -6.433  -0.224  -8.095
   19   HG21  THR   3          HG21      THR   3  -7.682   1.591  -6.770
   20   HG22  THR   3          HG22      THR   3  -6.742   0.468  -5.778
   21   HG23  THR   3          HG23      THR   3  -8.437   0.783  -5.401
   22    H    GLU   4           H        GLU   4  -6.378  -3.435  -7.231
   23    HA   GLU   4           HA       GLU   4  -4.701  -3.373  -4.848
   24    HB2  GLU   4           HB2      GLU   4  -4.311  -4.939  -7.398
   25    HB3  GLU   4           HB3      GLU   4  -3.516  -5.188  -5.847
   26    HG2  GLU   4           HG2      GLU   4  -6.457  -5.577  -6.375
   27    HG3  GLU   4           HG3      GLU   4  -5.260  -6.866  -6.335
   28    H    GLU   5           H        GLU   5  -3.368  -1.690  -4.804
   29    HA   GLU   5           HA       GLU   5  -2.129  -0.858  -7.336
   30    HB2  GLU   5           HB2      GLU   5  -2.579   0.731  -4.833
   31    HB3  GLU   5           HB3      GLU   5  -1.730   1.315  -6.247
   32    HG2  GLU   5           HG2      GLU   5  -4.636   0.550  -6.035
   33    HG3  GLU   5           HG3      GLU   5  -3.981   2.177  -6.201
   34    HA   PRO   6           HA       PRO   6   1.613  -2.322  -5.182
   35    HB2  PRO   6           HB2      PRO   6   2.672  -2.209  -7.937
   36    HB3  PRO   6           HB3      PRO   6   2.663  -3.569  -6.808
   37    HG2  PRO   6           HG2      PRO   6   1.075  -3.559  -8.964
   38    HG3  PRO   6           HG3      PRO   6   0.533  -4.239  -7.419
   39    HD2  PRO   6           HD2      PRO   6  -0.087  -1.560  -8.622
   40    HD3  PRO   6           HD3      PRO   6  -1.172  -2.717  -7.819
   41    H    ILE   7           H        ILE   7   2.603  -0.694  -4.250
   42    HA   ILE   7           HA       ILE   7   3.371   1.698  -5.800
   43    HB   ILE   7           HB       ILE   7   3.216   3.012  -3.729
   44   HG12  ILE   7          HG12      ILE   7   2.378   0.525  -2.277
   45   HG13  ILE   7          HG13      ILE   7   4.080   0.986  -2.334
   46   HG21  ILE   7          HG21      ILE   7   0.963   2.705  -3.125
   47   HG22  ILE   7          HG22      ILE   7   0.886   1.221  -4.089
   48   HG23  ILE   7          HG23      ILE   7   1.199   2.776  -4.876
   49   HD11  ILE   7          HD11      ILE   7   3.034   1.755  -0.308
   50   HD12  ILE   7          HD12      ILE   7   1.819   2.631  -1.269
   51   HD13  ILE   7          HD13      ILE   7   3.522   3.104  -1.344
   52    H    ARG   8           H        ARG   8   5.340   2.711  -5.081
   53    HA   ARG   8           HA       ARG   8   7.457   0.786  -4.574
   54    HB2  ARG   8           HB2      ARG   8   7.501   3.760  -5.189
   55    HB3  ARG   8           HB3      ARG   8   8.911   2.724  -5.024
   56    HG2  ARG   8           HG2      ARG   8   8.412   1.534  -6.973
   57    HG3  ARG   8           HG3      ARG   8   6.797   2.243  -7.092
   58    HD2  ARG   8           HD2      ARG   8   9.334   3.856  -7.210
   59    HD3  ARG   8           HD3      ARG   8   8.559   3.196  -8.645
   60    HE   ARG   8           HE       ARG   8   6.564   4.511  -7.954
   61   HH11  ARG   8          HH11      ARG   8   9.770   5.611  -6.890
   62   HH12  ARG   8          HH12      ARG   8   9.334   7.241  -6.831
   63   HH21  ARG   8          HH21      ARG   8   6.008   6.762  -7.924
   64   HH22  ARG   8          HH22      ARG   8   7.174   7.927  -7.476
   65    H    HIS   9           H        HIS   9   8.572   0.714  -2.621
   66    HA   HIS   9           HA       HIS   9   8.127   2.888  -0.715
   67    HB2  HIS   9           HB2      HIS   9   6.570   0.966  -0.171
   68    HB3  HIS   9           HB3      HIS   9   7.990  -0.046   0.061
   69    HD1  HIS   9           HD3      HIS   9   9.295   0.263   2.300
   70    HD2  HIS   9           HD2      HIS   9   6.095   2.861   1.823
   71    HE1  HIS   9           HE1      HIS   9   8.971   1.394   4.535
   72    H    ALA  10           H        ALA  10   9.901   3.263   0.636
   73    HA   ALA  10           HA       ALA  10  12.352   2.133  -0.375
   74    HB1  ALA  10           HB1      ALA  10  13.506   3.870   0.834
   75    HB2  ALA  10           HB2      ALA  10  12.006   4.355   1.635
   76    HB3  ALA  10           HB3      ALA  10  12.189   4.565  -0.111
   77    H    LYS  11           H        LYS  11  11.723   0.025   0.535
   78    HA   LYS  11           HA       LYS  11  13.528  -0.740   2.406
   79    HB2  LYS  11           HB2      LYS  11  11.999   0.164   4.148
   80    HB3  LYS  11           HB3      LYS  11  10.656  -0.732   3.452
   81    HG2  LYS  11           HG2      LYS  11  11.640  -2.829   4.084
   82    HG3  LYS  11           HG3      LYS  11  13.120  -2.028   4.598
   83    HD2  LYS  11           HD2      LYS  11  10.448  -1.471   5.858
   84    HD3  LYS  11           HD3      LYS  11  11.524  -2.752   6.425
   85    HE2  LYS  11           HE2      LYS  11  13.271  -1.066   6.813
   86    HE3  LYS  11           HE3      LYS  11  12.162   0.197   6.280
   87    HZ1  LYS  11           HZ1      LYS  11  11.669  -1.601   8.590
   88    HZ2  LYS  11           HZ2      LYS  11  10.721  -0.288   8.108
   89    HZ3  LYS  11           HZ3      LYS  11  12.294  -0.039   8.698
   90    H    LYS  12           H        LYS  12  13.761  -2.937   2.146
   91    HA   LYS  12           HA       LYS  12  12.662  -3.978  -0.228
   92    HB2  LYS  12           HB2      LYS  12  14.899  -4.552   0.868
   93    HB3  LYS  12           HB3      LYS  12  13.983  -5.617   1.927
   94    HG2  LYS  12           HG2      LYS  12  13.198  -6.886   0.024
   95    HG3  LYS  12           HG3      LYS  12  14.029  -5.764  -1.058
   96    HD2  LYS  12           HD2      LYS  12  15.519  -7.544  -0.936
   97    HD3  LYS  12           HD3      LYS  12  16.095  -6.364   0.253
   98    HE2  LYS  12           HE2      LYS  12  16.227  -8.624   1.143
   99    HE3  LYS  12           HE3      LYS  12  15.089  -7.633   2.051
  100    HZ1  LYS  12           HZ1      LYS  12  13.313  -8.774   1.256
  101    HZ2  LYS  12           HZ2      LYS  12  14.428 -10.032   1.354
  102    HZ3  LYS  12           HZ3      LYS  12  14.063  -9.293  -0.146
  103    H    ASN  13           H        ASN  13  12.252  -4.908   3.097
  104    HA   ASN  13           HA       ASN  13   9.551  -5.852   2.392
  105    HB2  ASN  13           HB2      ASN  13  11.410  -7.164   4.389
  106    HB3  ASN  13           HB3      ASN  13   9.709  -7.572   4.204
  107   HD21  ASN  13          HD21      ASN  13   9.043  -8.635   2.287
  108   HD22  ASN  13          HD22      ASN  13  10.180  -9.454   1.297
  109    HA   PRO  14           HA       PRO  14   8.913  -2.835   5.667
  110    HB2  PRO  14           HB2      PRO  14   6.625  -1.891   4.268
  111    HB3  PRO  14           HB3      PRO  14   8.198  -1.106   4.396
  112    HG2  PRO  14           HG2      PRO  14   7.122  -2.128   2.052
  113    HG3  PRO  14           HG3      PRO  14   8.842  -1.812   2.326
  114    HD2  PRO  14           HD2      PRO  14   7.333  -4.385   2.493
  115    HD3  PRO  14           HD3      PRO  14   8.967  -4.050   1.863
  116    H    SER  15           H        SER  15   7.270  -2.616   7.173
  117    HA   SER  15           HA       SER  15   5.587  -4.923   7.466
  118    HB2  SER  15           HB2      SER  15   6.802  -3.925   9.403
  119    HB3  SER  15           HB3      SER  15   5.873  -2.444   9.204
  120    HG   SER  15           HG       SER  15   4.983  -5.005  10.019
  121    H    GLU  16           H        GLU  16   3.244  -4.560   8.046
  122    HA   GLU  16           HA       GLU  16   1.788  -3.463   5.968
  123    HB2  GLU  16           HB2      GLU  16   0.852  -5.108   7.535
  124    HB3  GLU  16           HB3      GLU  16   0.882  -3.907   8.820
  125    HG2  GLU  16           HG2      GLU  16  -0.660  -2.513   7.426
  126    HG3  GLU  16           HG3      GLU  16  -0.807  -3.880   6.332
  127    H    GLY  17           H        GLY  17   2.581  -2.037   9.113
  128    HA2  GLY  17           HA2      GLY  17   1.033   0.285   8.867
  129    HA3  GLY  17           HA3      GLY  17   2.445   0.116   9.906
  130    H    GLU  18           H        GLU  18   4.334  -0.353   7.881
  131    HA   GLU  18           HA       GLU  18   5.002   2.303   7.172
  132    HB2  GLU  18           HB2      GLU  18   6.130  -0.303   6.108
  133    HB3  GLU  18           HB3      GLU  18   6.895   1.276   5.985
  134    HG2  GLU  18           HG2      GLU  18   7.088   1.376   8.418
  135    HG3  GLU  18           HG3      GLU  18   6.306  -0.195   8.548
  136    H    CYS  19           H        CYS  19   3.971  -0.506   5.274
  137    HA   CYS  19           HA       CYS  19   3.750   0.761   2.797
  138    HB2  CYS  19           HB2      CYS  19   2.186  -1.619   3.857
  139    HB3  CYS  19           HB3      CYS  19   2.195  -1.082   2.206
  140    H    LYS  20           H        LYS  20   1.367   0.282   5.363
  141    HA   LYS  20           HA       LYS  20  -0.881   1.217   4.050
  142    HB2  LYS  20           HB2      LYS  20  -0.849  -0.033   6.149
  143    HB3  LYS  20           HB3      LYS  20  -0.230   1.374   6.991
  144    HG2  LYS  20           HG2      LYS  20  -2.328   2.572   6.445
  145    HG3  LYS  20           HG3      LYS  20  -2.939   1.099   5.688
  146    HD2  LYS  20           HD2      LYS  20  -2.155   1.444   8.586
  147    HD3  LYS  20           HD3      LYS  20  -3.795   1.270   7.966
  148    HE2  LYS  20           HE2      LYS  20  -3.203  -0.994   7.135
  149    HE3  LYS  20           HE3      LYS  20  -1.592  -0.782   7.814
  150    HZ1  LYS  20           HZ1      LYS  20  -2.674  -0.561  10.021
  151    HZ2  LYS  20           HZ2      LYS  20  -2.837  -2.068   9.283
  152    HZ3  LYS  20           HZ3      LYS  20  -4.140  -1.009   9.289
  153    H    LYS  21           H        LYS  21   1.445   2.931   6.096
  154    HA   LYS  21           HA       LYS  21   0.106   5.408   5.947
  155    HB2  LYS  21           HB2      LYS  21   1.692   4.883   7.746
  156    HB3  LYS  21           HB3      LYS  21   3.001   4.838   6.577
  157    HG2  LYS  21           HG2      LYS  21   2.833   7.184   6.180
  158    HG3  LYS  21           HG3      LYS  21   1.338   7.289   7.108
  159    HD2  LYS  21           HD2      LYS  21   3.223   8.135   8.396
  160    HD3  LYS  21           HD3      LYS  21   2.551   6.691   9.142
  161    HE2  LYS  21           HE2      LYS  21   4.968   6.621   9.208
  162    HE3  LYS  21           HE3      LYS  21   4.367   5.350   8.150
  163    HZ1  LYS  21           HZ1      LYS  21   6.274   6.478   7.222
  164    HZ2  LYS  21           HZ2      LYS  21   5.494   7.960   7.283
  165    HZ3  LYS  21           HZ3      LYS  21   4.940   6.763   6.237
  166    H    ALA  22           H        ALA  22   2.686   3.950   4.014
  167    HA   ALA  22           HA       ALA  22   3.117   6.208   2.375
  168    HB1  ALA  22           HB1      ALA  22   3.475   3.284   1.694
  169    HB2  ALA  22           HB2      ALA  22   4.678   4.322   2.463
  170    HB3  ALA  22           HB3      ALA  22   4.166   4.645   0.806
  171    H    CYS  23           H        CYS  23   0.981   3.394   2.016
  172    HA   CYS  23           HA       CYS  23  -0.254   3.995  -0.401
  173    HB2  CYS  23           HB2      CYS  23  -1.434   2.693   2.060
  174    HB3  CYS  23           HB3      CYS  23  -2.206   2.713   0.483
  175    H    ALA  24           H        ALA  24  -1.032   5.051   2.858
  176    HA   ALA  24           HA       ALA  24  -3.387   6.417   2.267
  177    HB1  ALA  24           HB1      ALA  24  -3.068   7.494   4.421
  178    HB2  ALA  24           HB2      ALA  24  -1.390   6.948   4.452
  179    HB3  ALA  24           HB3      ALA  24  -2.703   5.769   4.504
  180    H    ASP  25           H        ASP  25  -0.125   7.725   2.811
  181    HA   ASP  25           HA       ASP  25  -0.695  10.392   2.225
  182    HB2  ASP  25           HB2      ASP  25   1.376   9.791   3.325
  183    HB3  ASP  25           HB3      ASP  25   1.911   8.898   1.908
  184    H    ALA  26           H        ALA  26   0.337   7.816   0.068
  185    HA   ALA  26           HA       ALA  26   0.615   9.554  -2.165
  186    HB1  ALA  26           HB1      ALA  26   1.023   7.561  -3.453
  187    HB2  ALA  26           HB2      ALA  26   0.438   6.555  -2.127
  188    HB3  ALA  26           HB3      ALA  26   1.917   7.493  -1.933
  189    H    PHE  27           H        PHE  27  -2.156   7.977  -0.770
  190    HA   PHE  27           HA       PHE  27  -3.453   8.317  -3.383
  191    HB2  PHE  27           HB2      PHE  27  -3.743   6.015  -1.506
  192    HB3  PHE  27           HB3      PHE  27  -4.966   6.379  -2.720
  193    HD1  PHE  27           HD1      PHE  27  -1.717   4.808  -2.124
  194    HD2  PHE  27           HD2      PHE  27  -4.279   6.503  -5.103
  195    HE1  PHE  27           HE1      PHE  27  -0.508   3.667  -3.829
  196    HE2  PHE  27           HE2      PHE  27  -3.015   5.350  -6.822
  197    HZ   PHE  27           HZ       PHE  27  -1.104   3.913  -6.183
  198    H    ALA  28           H        ALA  28  -4.098   8.346   0.083
  199    HA   ALA  28           HA       ALA  28  -6.637   9.674  -0.558
  200    HB1  ALA  28           HB1      ALA  28  -7.549   8.731   1.484
  201    HB2  ALA  28           HB2      ALA  28  -5.993   7.992   1.862
  202    HB3  ALA  28           HB3      ALA  28  -6.908   7.450   0.453
  203    H    ASN  29           H        ASN  29  -3.944  10.803  -0.152
  204    HA   ASN  29           HA       ASN  29  -2.942  12.610   0.754
  205    HB2  ASN  29           HB2      ASN  29  -5.786  13.294   1.524
  206    HB3  ASN  29           HB3      ASN  29  -4.439  14.378   1.823
  207   HD21  ASN  29          HD21      ASN  29  -5.289  15.973   0.491
  208   HD22  ASN  29          HD22      ASN  29  -5.306  15.816  -1.228
  209    H    GLY  30           H        GLY  30  -3.423  10.183   2.444
  210    HA2  GLY  30           HA2      GLY  30  -2.020  10.026   4.463
  211    HA3  GLY  30           HA3      GLY  30  -2.809  11.498   5.013
  212    H    ASP  31           H        ASP  31  -5.350  10.190   3.765
  213    HA   ASP  31           HA       ASP  31  -6.278   9.132   6.240
  214    HB2  ASP  31           HB2      ASP  31  -7.867  10.308   4.900
  215    HB3  ASP  31           HB3      ASP  31  -7.575   9.257   3.518
  216    H    GLN  32           H        GLN  32  -6.268   7.167   6.962
  217    HA   GLN  32           HA       GLN  32  -5.323   5.033   5.202
  218    HB2  GLN  32           HB2      GLN  32  -5.487   5.094   8.219
  219    HB3  GLN  32           HB3      GLN  32  -4.717   3.853   7.244
  220    HG2  GLN  32           HG2      GLN  32  -3.104   5.521   6.435
  221    HG3  GLN  32           HG3      GLN  32  -3.857   6.729   7.472
  222   HE21  GLN  32          HE21      GLN  32  -1.159   5.809   7.464
  223   HE22  GLN  32          HE22      GLN  32  -0.838   5.152   9.030
  224    H    SER  33           H        SER  33  -8.203   6.183   5.808
  225    HA   SER  33           HA       SER  33  -9.515   3.849   6.890
  226    HB2  SER  33           HB2      SER  33 -10.805   6.316   5.731
  227    HB3  SER  33           HB3      SER  33 -11.485   5.187   6.905
  228    HG   SER  33           HG       SER  33  -9.742   7.264   7.186
  229    H    LYS  34           H        LYS  34  -9.195   5.580   3.844
  230    HA   LYS  34           HA       LYS  34 -10.988   3.945   2.360
  231    HB2  LYS  34           HB2      LYS  34 -10.244   6.265   1.754
  232    HB3  LYS  34           HB3      LYS  34  -8.676   5.599   1.330
  233    HG2  LYS  34           HG2      LYS  34  -9.696   4.265  -0.420
  234    HG3  LYS  34           HG3      LYS  34 -11.287   4.873   0.035
  235    HD2  LYS  34           HD2      LYS  34 -10.505   7.161  -0.458
  236    HD3  LYS  34           HD3      LYS  34  -8.977   6.487  -1.027
  237    HE2  LYS  34           HE2      LYS  34 -10.183   5.217  -2.731
  238    HE3  LYS  34           HE3      LYS  34 -11.706   5.892  -2.153
  239    HZ1  LYS  34           HZ1      LYS  34 -10.985   7.086  -4.050
  240    HZ2  LYS  34           HZ2      LYS  34  -9.465   7.378  -3.409
  241    HZ3  LYS  34           HZ3      LYS  34 -10.822   8.118  -2.724
  242    H    ILE  35           H        ILE  35  -7.902   3.456   3.533
  243    HA   ILE  35           HA       ILE  35  -7.112   1.462   1.570
  244    HB   ILE  35           HB       ILE  35  -5.753   2.320   4.150
  245   HG12  ILE  35          HG12      ILE  35  -5.843   4.205   2.592
  246   HG13  ILE  35          HG13      ILE  35  -4.195   3.614   2.731
  247   HG21  ILE  35          HG21      ILE  35  -3.743   1.244   3.242
  248   HG22  ILE  35          HG22      ILE  35  -4.677   0.691   1.854
  249   HG23  ILE  35          HG23      ILE  35  -5.063   0.097   3.467
  250   HD11  ILE  35          HD11      ILE  35  -6.098   3.079   0.457
  251   HD12  ILE  35          HD12      ILE  35  -4.463   2.439   0.589
  252   HD13  ILE  35          HD13      ILE  35  -4.717   4.180   0.437
  253    H    ALA  36           H        ALA  36  -7.803  -0.583   1.813
  254    HA   ALA  36           HA       ALA  36  -9.186  -1.407   4.189
  255    HB1  ALA  36           HB1      ALA  36  -9.459  -3.556   3.023
  256    HB2  ALA  36           HB2      ALA  36  -8.333  -3.022   1.775
  257    HB3  ALA  36           HB3      ALA  36  -9.884  -2.207   1.969
  258    H    LYS  37           H        LYS  37  -6.169  -2.319   2.571
  259    HA   LYS  37           HA       LYS  37  -4.871  -2.815   5.061
  260    HB2  LYS  37           HB2      LYS  37  -6.245  -4.951   4.359
  261    HB3  LYS  37           HB3      LYS  37  -4.999  -5.140   3.140
  262    HG2  LYS  37           HG2      LYS  37  -3.299  -5.225   4.943
  263    HG3  LYS  37           HG3      LYS  37  -4.601  -5.121   6.133
  264    HD2  LYS  37           HD2      LYS  37  -5.579  -7.183   5.026
  265    HD3  LYS  37           HD3      LYS  37  -4.053  -7.323   4.158
  266    HE2  LYS  37           HE2      LYS  37  -4.425  -7.365   7.152
  267    HE3  LYS  37           HE3      LYS  37  -4.060  -8.755   6.140
  268    HZ1  LYS  37           HZ1      LYS  37  -1.911  -7.561   5.585
  269    HZ2  LYS  37           HZ2      LYS  37  -2.110  -8.094   7.156
  270    HZ3  LYS  37           HZ3      LYS  37  -2.319  -6.455   6.829
  271    H    ALA  38           H        ALA  38  -2.554  -3.620   4.419
  272    HA   ALA  38           HA       ALA  38  -1.790  -2.897   1.743
  273    HB1  ALA  38           HB1      ALA  38   0.006  -1.448   2.567
  274    HB2  ALA  38           HB2      ALA  38  -0.602  -1.629   4.215
  275    HB3  ALA  38           HB3      ALA  38  -1.582  -0.810   2.993
  276    H    GLU  39           H        GLU  39  -0.501  -4.380   1.089
  277    HA   GLU  39           HA       GLU  39   0.794  -6.156   3.064
  278    HB2  GLU  39           HB2      GLU  39  -0.484  -6.759   0.411
  279    HB3  GLU  39           HB3      GLU  39   0.652  -7.863   1.159
  280    HG2  GLU  39           HG2      GLU  39  -1.899  -6.921   2.443
  281    HG3  GLU  39           HG3      GLU  39  -1.728  -8.425   1.538
  282    H    ASN  40           H        ASN  40   2.779  -7.116   2.377
  283    HA   ASN  40           HA       ASN  40   4.443  -5.387   0.820
  284    HB2  ASN  40           HB2      ASN  40   5.343  -6.688   2.739
  285    HB3  ASN  40           HB3      ASN  40   4.946  -8.181   1.899
  286   HD21  ASN  40          HD21      ASN  40   6.352  -5.274   0.393
  287   HD22  ASN  40          HD22      ASN  40   7.823  -6.035  -0.010
  288    H    PHE  41           H        PHE  41   4.321  -5.399  -1.328
  289    HA   PHE  41           HA       PHE  41   2.940  -7.547  -2.687
  290    HB2  PHE  41           HB2      PHE  41   2.468  -5.213  -3.303
  291    HB3  PHE  41           HB3      PHE  41   4.151  -4.982  -3.737
  292    HD1  PHE  41           HD1      PHE  41   4.952  -5.558  -5.882
  293    HD2  PHE  41           HD2      PHE  41   1.061  -6.805  -4.671
  294    HE1  PHE  41           HE1      PHE  41   4.463  -6.276  -8.173
  295    HE2  PHE  41           HE2      PHE  41   0.585  -7.516  -6.967
  296    HZ   PHE  41           HZ       PHE  41   2.281  -7.255  -8.717
  297    H    LYS  42           H        LYS  42   6.158  -6.171  -2.534
  298    HA   LYS  42           HA       LYS  42   7.425  -8.511  -3.487
  299    HB2  LYS  42           HB2      LYS  42   6.570  -7.566  -5.635
  300    HB3  LYS  42           HB3      LYS  42   7.342  -6.038  -5.278
  301    HG2  LYS  42           HG2      LYS  42   9.541  -7.211  -5.351
  302    HG3  LYS  42           HG3      LYS  42   8.685  -8.663  -5.872
  303    HD2  LYS  42           HD2      LYS  42   8.622  -6.015  -7.319
  304    HD3  LYS  42           HD3      LYS  42   9.680  -7.352  -7.747
  305    HE2  LYS  42           HE2      LYS  42   7.683  -8.754  -8.140
  306    HE3  LYS  42           HE3      LYS  42   6.660  -7.369  -7.762
  307    HZ1  LYS  42           HZ1      LYS  42   8.610  -7.508  -9.991
  308    HZ2  LYS  42           HZ2      LYS  42   7.607  -6.199  -9.635
  309    HZ3  LYS  42           HZ3      LYS  42   6.937  -7.655 -10.138
  310    H    ASP  43           H        ASP  43   9.823  -7.955  -3.549
  311    HA   ASP  43           HA       ASP  43  10.669  -6.478  -1.375
  312    HB2  ASP  43           HB2      ASP  43  12.203  -7.214  -3.905
  313    HB3  ASP  43           HB3      ASP  43  12.916  -6.669  -2.412
  314    H    TYR  44           H        TYR  44  10.552  -4.418  -1.080
  315    HA   TYR  44           HA       TYR  44  10.692  -2.194  -1.276
  316    HB2  TYR  44           HB2      TYR  44  11.767  -2.763  -4.030
  317    HB3  TYR  44           HB3      TYR  44  11.456  -1.123  -3.490
  318    HD1  TYR  44           HD1      TYR  44  13.583  -4.059  -3.124
  319    HD2  TYR  44           HD2      TYR  44  12.831  -0.105  -1.781
  320    HE1  TYR  44           HE1      TYR  44  15.778  -4.016  -2.094
  321    HE2  TYR  44           HE2      TYR  44  15.037  -0.017  -0.732
  322    HH   TYR  44           HH       TYR  44  16.755  -1.578   0.106
  323    H    TYR  45           H        TYR  45   8.363  -3.938  -2.294
  324    HA   TYR  45           HA       TYR  45   6.821  -1.625  -3.247
  325    HB2  TYR  45           HB2      TYR  45   6.720  -4.389  -4.440
  326    HB3  TYR  45           HB3      TYR  45   5.558  -3.120  -4.777
  327    HD1  TYR  45           HD1      TYR  45   6.306  -1.067  -5.934
  328    HD2  TYR  45           HD2      TYR  45   8.829  -4.456  -5.571
  329    HE1  TYR  45           HE1      TYR  45   7.712  -0.210  -7.762
  330    HE2  TYR  45           HE2      TYR  45  10.233  -3.632  -7.384
  331    HH   TYR  45           HH       TYR  45  10.025  -2.137  -9.321
  332    H    CYS  46           H        CYS  46   4.755  -1.542  -2.689
  333    HA   CYS  46           HA       CYS  46   3.772  -3.606  -0.837
  334    HB2  CYS  46           HB2      CYS  46   3.402  -0.612  -0.549
  335    HB3  CYS  46           HB3      CYS  46   2.660  -1.846   0.463
  336    H    ASN  47           H        ASN  47   1.576  -4.004  -0.941
  337    HA   ASN  47           HA       ASN  47   0.202  -3.037  -3.389
  338    HB2  ASN  47           HB2      ASN  47   0.445  -5.538  -3.010
  339    HB3  ASN  47           HB3      ASN  47  -0.519  -5.335  -1.553
  340   HD21  ASN  47          HD21      ASN  47  -2.295  -6.425  -2.136
  341   HD22  ASN  47          HD22      ASN  47  -3.340  -6.002  -3.428
  342    H    CYS  48           H        CYS  48  -1.084  -1.447  -3.010
  343    HA   CYS  48           HA       CYS  48  -2.207  -1.085  -0.359
  344    HB2  CYS  48           HB2      CYS  48  -2.395   0.673  -2.816
  345    HB3  CYS  48           HB3      CYS  48  -2.875   1.088  -1.171
  346    H    HIS  49           H        HIS  49  -4.179  -1.810   0.070
  347    HA   HIS  49           HA       HIS  49  -5.821  -2.738  -2.157
  348    HB2  HIS  49           HB2      HIS  49  -6.150  -3.172   0.844
  349    HB3  HIS  49           HB3      HIS  49  -7.086  -3.951  -0.418
  350    HD1  HIS  49           HD3      HIS  49  -6.390  -6.356  -0.562
  351    HD2  HIS  49           HD2      HIS  49  -3.171  -3.880   0.279
  352    HE1  HIS  49           HE1      HIS  49  -4.386  -7.871  -0.275
  353    H    ILE  50           H        ILE  50  -6.710  -0.859  -2.854
  354    HA   ILE  50           HA       ILE  50  -7.694   0.998  -0.807
  355    HB   ILE  50           HB       ILE  50  -7.584   1.575  -3.766
  356   HG12  ILE  50          HG12      ILE  50  -5.399   2.133  -1.748
  357   HG13  ILE  50          HG13      ILE  50  -5.329   0.842  -2.942
  358   HG21  ILE  50          HG21      ILE  50  -7.450   3.887  -2.937
  359   HG22  ILE  50          HG22      ILE  50  -7.456   3.257  -1.285
  360   HG23  ILE  50          HG23      ILE  50  -8.888   3.060  -2.304
  361   HD11  ILE  50          HD11      ILE  50  -5.484   3.790  -3.505
  362   HD12  ILE  50          HD12      ILE  50  -5.525   2.507  -4.711
  363   HD13  ILE  50          HD13      ILE  50  -4.076   2.738  -3.725
  364    H    ILE  51           H        ILE  51  -9.787   1.170  -0.422
  365    HA   ILE  51           HA       ILE  51 -11.651  -0.424  -1.891
  366    HB   ILE  51           HB       ILE  51 -12.197   1.646   0.270
  367   HG12  ILE  51          HG12      ILE  51 -11.767  -1.341   0.554
  368   HG13  ILE  51          HG13      ILE  51 -10.595  -0.112   1.004
  369   HG21  ILE  51          HG21      ILE  51 -14.172   0.998  -1.026
  370   HG22  ILE  51          HG22      ILE  51 -14.260   0.349   0.613
  371   HG23  ILE  51          HG23      ILE  51 -13.817  -0.705  -0.728
  372   HD11  ILE  51          HD11      ILE  51 -13.317  -0.486   2.232
  373   HD12  ILE  51          HD12      ILE  51 -12.132   0.738   2.693
  374   HD13  ILE  51          HD13      ILE  51 -11.779  -0.972   2.944
  375    H    ILE  52           H        ILE  52 -12.547   0.212  -3.703
  376    HA   ILE  52           HA       ILE  52 -12.100   2.759  -4.823
  377    HB   ILE  52           HB       ILE  52 -14.007   0.579  -5.750
  378   HG12  ILE  52          HG12      ILE  52 -11.138   1.179  -6.528
  379   HG13  ILE  52          HG13      ILE  52 -11.679  -0.188  -5.563
  380   HG21  ILE  52          HG21      ILE  52 -14.531   2.744  -6.762
  381   HG22  ILE  52          HG22      ILE  52 -13.850   1.637  -7.956
  382   HG23  ILE  52          HG23      ILE  52 -12.852   2.920  -7.272
  383   HD11  ILE  52          HD11      ILE  52 -12.917  -1.042  -7.508
  384   HD12  ILE  52          HD12      ILE  52 -11.197  -0.870  -7.837
  385   HD13  ILE  52          HD13      ILE  52 -12.337   0.324  -8.459
  386    H    HIS  53           H        HIS  53 -14.886   1.354  -3.214
  387    HA   HIS  53           HA       HIS  53 -15.909   4.018  -2.802
  388    HB2  HIS  53           HB2      HIS  53 -17.189   3.201  -4.765
  389    HB3  HIS  53           HB3      HIS  53 -17.654   1.766  -3.858
  390    HD1  HIS  53           HD3      HIS  53 -19.855   1.947  -2.630
  391    HD2  HIS  53           HD2      HIS  53 -18.198   5.651  -3.496
  392    HE1  HIS  53           HE1      HIS  53 -21.541   3.651  -1.874
  Start of MODEL    5
    1    H1   GLU   1          1HT       GLU   1 -16.848  -2.769  -3.101
    2    H2   GLU   1          2HT       GLU   1 -16.033  -1.323  -2.910
    3    H3   GLU   1          3HT       GLU   1 -15.507  -2.690  -2.076
    4    HA   GLU   1           HA       GLU   1 -14.971  -3.762  -4.166
    5    HB2  GLU   1           HB2      GLU   1 -16.502  -2.550  -5.609
    6    HB3  GLU   1           HB3      GLU   1 -15.671  -1.038  -5.275
    7    HG2  GLU   1           HG2      GLU   1 -13.716  -1.810  -6.451
    8    HG3  GLU   1           HG3      GLU   1 -14.438  -3.399  -6.686
    9    H    GLU   2           H        GLU   2 -12.900  -4.008  -3.964
   10    HA   GLU   2           HA       GLU   2 -11.182  -1.679  -3.422
   11    HB2  GLU   2           HB2      GLU   2 -10.931  -4.536  -2.496
   12    HB3  GLU   2           HB3      GLU   2  -9.736  -3.277  -2.235
   13    HG2  GLU   2           HG2      GLU   2 -10.998  -2.211  -0.676
   14    HG3  GLU   2           HG3      GLU   2 -12.520  -2.857  -1.296
   15    H    THR   3           H        THR   3  -9.081  -1.842  -4.341
   16    HA   THR   3           HA       THR   3  -8.726  -3.908  -6.367
   17    HB   THR   3           HB       THR   3  -9.537  -1.709  -7.391
   18    HG1  THR   3           HG1      THR   3  -8.564  -2.884  -8.833
   19   HG21  THR   3          HG21      THR   3  -7.879   0.128  -7.615
   20   HG22  THR   3          HG22      THR   3  -6.798  -0.740  -6.526
   21   HG23  THR   3          HG23      THR   3  -8.349  -0.144  -5.936
   22    H    GLU   4           H        GLU   4  -6.507  -4.456  -6.655
   23    HA   GLU   4           HA       GLU   4  -4.819  -3.596  -4.430
   24    HB2  GLU   4           HB2      GLU   4  -4.718  -6.005  -6.231
   25    HB3  GLU   4           HB3      GLU   4  -3.537  -5.639  -4.980
   26    HG2  GLU   4           HG2      GLU   4  -5.176  -5.885  -3.267
   27    HG3  GLU   4           HG3      GLU   4  -6.468  -6.036  -4.460
   28    H    GLU   5           H        GLU   5  -3.358  -2.124  -4.926
   29    HA   GLU   5           HA       GLU   5  -2.098  -2.280  -7.568
   30    HB2  GLU   5           HB2      GLU   5  -3.744  -0.335  -7.364
   31    HB3  GLU   5           HB3      GLU   5  -2.684   0.310  -6.124
   32    HG2  GLU   5           HG2      GLU   5  -0.879   0.505  -7.685
   33    HG3  GLU   5           HG3      GLU   5  -1.837  -0.259  -8.944
   34    HA   PRO   6           HA       PRO   6   1.405  -2.302  -4.787
   35    HB2  PRO   6           HB2      PRO   6   3.297  -2.973  -6.577
   36    HB3  PRO   6           HB3      PRO   6   2.126  -4.123  -5.927
   37    HG2  PRO   6           HG2      PRO   6   2.280  -2.917  -8.618
   38    HG3  PRO   6           HG3      PRO   6   1.500  -4.419  -8.106
   39    HD2  PRO   6           HD2      PRO   6   0.272  -1.872  -8.596
   40    HD3  PRO   6           HD3      PRO   6  -0.500  -3.367  -8.037
   41    H    ILE   7           H        ILE   7   2.177  -0.527  -4.077
   42    HA   ILE   7           HA       ILE   7   3.082   1.620  -5.860
   43    HB   ILE   7           HB       ILE   7   3.111   3.063  -3.871
   44   HG12  ILE   7          HG12      ILE   7   2.359   0.651  -2.234
   45   HG13  ILE   7          HG13      ILE   7   4.037   1.160  -2.399
   46   HG21  ILE   7          HG21      ILE   7   1.037   2.786  -4.907
   47   HG22  ILE   7          HG22      ILE   7   0.900   2.912  -3.135
   48   HG23  ILE   7          HG23      ILE   7   0.710   1.346  -3.928
   49   HD11  ILE   7          HD11      ILE   7   3.065   1.985  -0.371
   50   HD12  ILE   7          HD12      ILE   7   1.788   2.797  -1.311
   51   HD13  ILE   7          HD13      ILE   7   3.480   3.298  -1.485
   52    H    ARG   8           H        ARG   8   5.124   2.678  -5.271
   53    HA   ARG   8           HA       ARG   8   7.193   0.697  -4.740
   54    HB2  ARG   8           HB2      ARG   8   7.454   3.587  -5.716
   55    HB3  ARG   8           HB3      ARG   8   8.755   2.441  -5.477
   56    HG2  ARG   8           HG2      ARG   8   8.258   2.752  -7.820
   57    HG3  ARG   8           HG3      ARG   8   8.008   1.091  -7.311
   58    HD2  ARG   8           HD2      ARG   8   6.256   1.865  -8.867
   59    HD3  ARG   8           HD3      ARG   8   5.588   1.470  -7.287
   60    HE   ARG   8           HE       ARG   8   6.067   4.128  -7.128
   61   HH11  ARG   8          HH11      ARG   8   4.288   2.147  -9.450
   62   HH12  ARG   8          HH12      ARG   8   3.144   3.342  -9.823
   63   HH21  ARG   8          HH21      ARG   8   4.481   5.770  -7.606
   64   HH22  ARG   8          HH22      ARG   8   3.267   5.483  -8.762
   65    H    HIS   9           H        HIS   9   8.132   0.662  -2.799
   66    HA   HIS   9           HA       HIS   9   7.582   2.914  -0.996
   67    HB2  HIS   9           HB2      HIS   9   6.502   0.650  -0.453
   68    HB3  HIS   9           HB3      HIS   9   8.130   0.060  -0.137
   69    HD1  HIS   9           HD3      HIS   9   8.933   0.392   2.241
   70    HD2  HIS   9           HD2      HIS   9   5.738   2.815   1.278
   71    HE1  HIS   9           HE1      HIS   9   8.328   1.628   4.369
   72    H    ALA  10           H        ALA  10   9.309   3.279   0.626
   73    HA   ALA  10           HA       ALA  10  11.901   3.112  -0.670
   74    HB1  ALA  10           HB1      ALA  10  12.633   4.659   1.003
   75    HB2  ALA  10           HB2      ALA  10  11.077   4.554   1.839
   76    HB3  ALA  10           HB3      ALA  10  11.173   5.253   0.210
   77    H    LYS  11           H        LYS  11  10.575   0.792   0.780
   78    HA   LYS  11           HA       LYS  11  12.907   0.113   2.405
   79    HB2  LYS  11           HB2      LYS  11  10.032  -0.518   3.122
   80    HB3  LYS  11           HB3      LYS  11  11.426  -1.200   3.906
   81    HG2  LYS  11           HG2      LYS  11  10.717   1.722   3.893
   82    HG3  LYS  11           HG3      LYS  11  10.379   0.597   5.206
   83    HD2  LYS  11           HD2      LYS  11  12.847   0.146   5.302
   84    HD3  LYS  11           HD3      LYS  11  13.064   1.493   4.179
   85    HE2  LYS  11           HE2      LYS  11  13.393   2.283   6.423
   86    HE3  LYS  11           HE3      LYS  11  11.891   2.952   5.787
   87    HZ1  LYS  11           HZ1      LYS  11  11.609   2.181   8.054
   88    HZ2  LYS  11           HZ2      LYS  11  12.114   0.634   7.630
   89    HZ3  LYS  11           HZ3      LYS  11  10.666   1.202   7.063
   90    H    LYS  12           H        LYS  12  13.704  -1.785   1.874
   91    HA   LYS  12           HA       LYS  12  12.859  -3.253  -0.349
   92    HB2  LYS  12           HB2      LYS  12  15.130  -3.318   0.558
   93    HB3  LYS  12           HB3      LYS  12  14.546  -4.095   2.019
   94    HG2  LYS  12           HG2      LYS  12  13.852  -6.042   0.673
   95    HG3  LYS  12           HG3      LYS  12  14.521  -5.259  -0.760
   96    HD2  LYS  12           HD2      LYS  12  16.088  -5.979   1.721
   97    HD3  LYS  12           HD3      LYS  12  16.058  -6.925   0.235
   98    HE2  LYS  12           HE2      LYS  12  17.002  -5.031  -0.989
   99    HE3  LYS  12           HE3      LYS  12  17.018  -4.070   0.480
  100    HZ1  LYS  12           HZ1      LYS  12  18.606  -6.535  -0.017
  101    HZ2  LYS  12           HZ2      LYS  12  18.551  -5.716   1.437
  102    HZ3  LYS  12           HZ3      LYS  12  19.194  -4.961   0.098
  103    H    ASN  13           H        ASN  13  12.546  -3.820   3.100
  104    HA   ASN  13           HA       ASN  13  10.204  -5.486   2.577
  105    HB2  ASN  13           HB2      ASN  13  12.351  -6.022   4.645
  106    HB3  ASN  13           HB3      ASN  13  10.794  -6.838   4.603
  107   HD21  ASN  13          HD21      ASN  13  10.387  -8.332   2.963
  108   HD22  ASN  13          HD22      ASN  13  11.656  -8.957   1.979
  109    HA   PRO  14           HA       PRO  14   8.879  -2.414   5.572
  110    HB2  PRO  14           HB2      PRO  14   6.551  -1.863   4.094
  111    HB3  PRO  14           HB3      PRO  14   8.031  -0.914   4.097
  112    HG2  PRO  14           HG2      PRO  14   6.982  -2.397   1.938
  113    HG3  PRO  14           HG3      PRO  14   8.563  -1.621   2.015
  114    HD2  PRO  14           HD2      PRO  14   7.824  -4.464   2.447
  115    HD3  PRO  14           HD3      PRO  14   9.339  -3.759   1.835
  116    H    SER  15           H        SER  15   7.357  -2.680   7.116
  117    HA   SER  15           HA       SER  15   5.934  -5.172   7.215
  118    HB2  SER  15           HB2      SER  15   5.177  -4.254   9.450
  119    HB3  SER  15           HB3      SER  15   6.928  -4.363   9.257
  120    HG   SER  15           HG       SER  15   7.038  -2.199   8.946
  121    H    GLU  16           H        GLU  16   3.515  -4.996   7.989
  122    HA   GLU  16           HA       GLU  16   2.075  -3.923   5.834
  123    HB2  GLU  16           HB2      GLU  16   1.042  -4.816   8.532
  124    HB3  GLU  16           HB3      GLU  16   0.057  -4.558   7.096
  125    HG2  GLU  16           HG2      GLU  16   1.273  -6.336   5.942
  126    HG3  GLU  16           HG3      GLU  16   2.247  -6.606   7.382
  127    H    GLY  17           H        GLY  17   2.736  -2.689   9.047
  128    HA2  GLY  17           HA2      GLY  17   0.975  -0.495   8.983
  129    HA3  GLY  17           HA3      GLY  17   2.417  -0.623   9.986
  130    H    GLU  18           H        GLU  18   4.336  -0.820   7.951
  131    HA   GLU  18           HA       GLU  18   4.744   1.914   7.326
  132    HB2  GLU  18           HB2      GLU  18   6.084  -0.549   6.206
  133    HB3  GLU  18           HB3      GLU  18   6.662   1.100   5.999
  134    HG2  GLU  18           HG2      GLU  18   7.011   1.307   8.372
  135    HG3  GLU  18           HG3      GLU  18   6.340  -0.299   8.633
  136    H    CYS  19           H        CYS  19   3.848  -0.888   5.384
  137    HA   CYS  19           HA       CYS  19   3.585   0.437   2.955
  138    HB2  CYS  19           HB2      CYS  19   2.242  -2.043   4.003
  139    HB3  CYS  19           HB3      CYS  19   2.042  -1.482   2.353
  140    H    LYS  20           H        LYS  20   1.143  -0.179   5.496
  141    HA   LYS  20           HA       LYS  20  -0.973   0.943   4.030
  142    HB2  LYS  20           HB2      LYS  20  -1.273  -0.602   5.953
  143    HB3  LYS  20           HB3      LYS  20  -0.714   0.657   7.033
  144    HG2  LYS  20           HG2      LYS  20  -2.663   1.932   6.739
  145    HG3  LYS  20           HG3      LYS  20  -3.131   1.031   5.292
  146    HD2  LYS  20           HD2      LYS  20  -3.525  -0.963   6.627
  147    HD3  LYS  20           HD3      LYS  20  -2.983  -0.120   8.079
  148    HE2  LYS  20           HE2      LYS  20  -5.311   0.811   6.423
  149    HE3  LYS  20           HE3      LYS  20  -5.487  -0.356   7.729
  150    HZ1  LYS  20           HZ1      LYS  20  -5.906   2.010   8.370
  151    HZ2  LYS  20           HZ2      LYS  20  -4.240   2.319   8.184
  152    HZ3  LYS  20           HZ3      LYS  20  -4.786   1.199   9.286
  153    H    LYS  21           H        LYS  21   1.298   2.344   6.295
  154    HA   LYS  21           HA       LYS  21   0.256   4.926   6.472
  155    HB2  LYS  21           HB2      LYS  21   2.000   4.213   7.931
  156    HB3  LYS  21           HB3      LYS  21   3.082   3.857   6.594
  157    HG2  LYS  21           HG2      LYS  21   3.804   5.851   7.729
  158    HG3  LYS  21           HG3      LYS  21   3.214   6.273   6.124
  159    HD2  LYS  21           HD2      LYS  21   1.106   7.014   7.077
  160    HD3  LYS  21           HD3      LYS  21   1.656   6.548   8.689
  161    HE2  LYS  21           HE2      LYS  21   1.916   8.942   8.374
  162    HE3  LYS  21           HE3      LYS  21   3.493   8.171   8.515
  163    HZ1  LYS  21           HZ1      LYS  21   3.497   9.786   6.747
  164    HZ2  LYS  21           HZ2      LYS  21   2.191   9.057   5.995
  165    HZ3  LYS  21           HZ3      LYS  21   3.681   8.260   6.074
  166    H    ALA  22           H        ALA  22   2.572   3.548   4.152
  167    HA   ALA  22           HA       ALA  22   2.903   5.926   2.645
  168    HB1  ALA  22           HB1      ALA  22   4.005   4.528   1.005
  169    HB2  ALA  22           HB2      ALA  22   3.369   3.084   1.791
  170    HB3  ALA  22           HB3      ALA  22   4.534   4.104   2.633
  171    H    CYS  23           H        CYS  23   0.944   3.003   2.089
  172    HA   CYS  23           HA       CYS  23  -0.217   3.665  -0.337
  173    HB2  CYS  23           HB2      CYS  23  -1.448   2.178   1.991
  174    HB3  CYS  23           HB3      CYS  23  -2.134   2.231   0.375
  175    H    ALA  24           H        ALA  24  -1.158   4.572   2.917
  176    HA   ALA  24           HA       ALA  24  -3.535   5.887   2.220
  177    HB1  ALA  24           HB1      ALA  24  -3.377   6.853   4.430
  178    HB2  ALA  24           HB2      ALA  24  -1.698   6.311   4.549
  179    HB3  ALA  24           HB3      ALA  24  -3.007   5.126   4.438
  180    H    ASP  25           H        ASP  25  -0.305   7.136   3.010
  181    HA   ASP  25           HA       ASP  25  -0.921   9.843   2.676
  182    HB2  ASP  25           HB2      ASP  25   1.134   8.841   3.792
  183    HB3  ASP  25           HB3      ASP  25   1.806   8.670   2.175
  184    H    ALA  26           H        ALA  26   0.284   7.491   0.365
  185    HA   ALA  26           HA       ALA  26   0.639   9.445  -1.694
  186    HB1  ALA  26           HB1      ALA  26   0.629   6.442  -1.913
  187    HB2  ALA  26           HB2      ALA  26   2.041   7.440  -1.567
  188    HB3  ALA  26           HB3      ALA  26   1.222   7.581  -3.123
  189    H    PHE  27           H        PHE  27  -2.118   7.647  -0.598
  190    HA   PHE  27           HA       PHE  27  -3.321   8.081  -3.243
  191    HB2  PHE  27           HB2      PHE  27  -3.760   5.883  -1.288
  192    HB3  PHE  27           HB3      PHE  27  -5.060   6.330  -2.391
  193    HD1  PHE  27           HD1      PHE  27  -1.739   4.744  -2.120
  194    HD2  PHE  27           HD2      PHE  27  -4.789   6.108  -4.770
  195    HE1  PHE  27           HE1      PHE  27  -0.766   3.453  -3.933
  196    HE2  PHE  27           HE2      PHE  27  -3.789   4.816  -6.578
  197    HZ   PHE  27           HZ       PHE  27  -1.774   3.477  -6.168
  198    H    ALA  28           H        ALA  28  -4.002   8.326   0.190
  199    HA   ALA  28           HA       ALA  28  -6.360   9.940  -0.489
  200    HB1  ALA  28           HB1      ALA  28  -7.237   9.326   1.697
  201    HB2  ALA  28           HB2      ALA  28  -5.768   8.416   2.040
  202    HB3  ALA  28           HB3      ALA  28  -6.847   7.897   0.745
  203    H    ASN  29           H        ASN  29  -3.303  10.370   0.152
  204    HA   ASN  29           HA       ASN  29  -2.012  12.077   0.793
  205    HB2  ASN  29           HB2      ASN  29  -4.636  13.546   1.061
  206    HB3  ASN  29           HB3      ASN  29  -3.087  14.318   1.373
  207   HD21  ASN  29          HD21      ASN  29  -5.081  14.900  -0.672
  208   HD22  ASN  29          HD22      ASN  29  -4.270  14.792  -2.176
  209    H    GLY  30           H        GLY  30  -3.327  10.208   2.813
  210    HA2  GLY  30           HA2      GLY  30  -1.790  10.424   4.915
  211    HA3  GLY  30           HA3      GLY  30  -2.838  11.804   5.224
  212    H    ASP  31           H        ASP  31  -5.201  10.688   4.259
  213    HA   ASP  31           HA       ASP  31  -6.117   9.309   6.529
  214    HB2  ASP  31           HB2      ASP  31  -7.697  10.590   5.285
  215    HB3  ASP  31           HB3      ASP  31  -7.349   9.697   3.808
  216    H    GLN  32           H        GLN  32  -6.187   7.246   7.049
  217    HA   GLN  32           HA       GLN  32  -5.187   5.300   5.121
  218    HB2  GLN  32           HB2      GLN  32  -5.473   5.121   8.115
  219    HB3  GLN  32           HB3      GLN  32  -4.869   3.834   7.087
  220    HG2  GLN  32           HG2      GLN  32  -3.077   5.523   6.363
  221    HG3  GLN  32           HG3      GLN  32  -3.603   6.461   7.754
  222   HE21  GLN  32          HE21      GLN  32  -1.504   6.162   8.679
  223   HE22  GLN  32          HE22      GLN  32  -1.114   4.657   9.426
  224    H    SER  33           H        SER  33  -8.111   6.365   5.533
  225    HA   SER  33           HA       SER  33  -9.458   3.904   6.291
  226    HB2  SER  33           HB2      SER  33 -10.696   6.483   5.340
  227    HB3  SER  33           HB3      SER  33 -11.436   5.222   6.330
  228    HG   SER  33           HG       SER  33  -9.651   7.238   6.985
  229    H    LYS  34           H        LYS  34  -8.670   5.860   3.549
  230    HA   LYS  34           HA       LYS  34 -10.366   4.675   1.610
  231    HB2  LYS  34           HB2      LYS  34  -9.215   6.875   1.389
  232    HB3  LYS  34           HB3      LYS  34  -7.687   6.030   1.259
  233    HG2  LYS  34           HG2      LYS  34  -8.444   6.786  -0.918
  234    HG3  LYS  34           HG3      LYS  34  -8.424   5.025  -0.851
  235    HD2  LYS  34           HD2      LYS  34 -10.825   4.967  -0.550
  236    HD3  LYS  34           HD3      LYS  34 -10.886   6.729  -0.447
  237    HE2  LYS  34           HE2      LYS  34 -10.172   6.933  -2.737
  238    HE3  LYS  34           HE3      LYS  34  -9.922   5.192  -2.858
  239    HZ1  LYS  34           HZ1      LYS  34 -12.548   6.519  -2.404
  240    HZ2  LYS  34           HZ2      LYS  34 -12.270   4.862  -2.573
  241    HZ3  LYS  34           HZ3      LYS  34 -12.006   5.887  -3.872
  242    H    ILE  35           H        ILE  35  -7.560   3.587   3.164
  243    HA   ILE  35           HA       ILE  35  -7.054   1.492   1.164
  244    HB   ILE  35           HB       ILE  35  -5.288   2.460   3.440
  245   HG12  ILE  35          HG12      ILE  35  -5.419   4.136   1.663
  246   HG13  ILE  35          HG13      ILE  35  -3.823   3.400   1.696
  247   HG21  ILE  35          HG21      ILE  35  -3.529   1.062   2.452
  248   HG22  ILE  35          HG22      ILE  35  -4.685   0.459   1.265
  249   HG23  ILE  35          HG23      ILE  35  -4.915   0.105   2.977
  250   HD11  ILE  35          HD11      ILE  35  -4.578   3.725  -0.583
  251   HD12  ILE  35          HD12      ILE  35  -6.037   2.792  -0.257
  252   HD13  ILE  35          HD13      ILE  35  -4.461   1.998  -0.228
  253    H    ALA  36           H        ALA  36  -7.841  -0.451   1.694
  254    HA   ALA  36           HA       ALA  36  -8.990  -0.841   4.310
  255    HB1  ALA  36           HB1      ALA  36  -8.887  -2.722   1.961
  256    HB2  ALA  36           HB2      ALA  36 -10.184  -1.581   2.302
  257    HB3  ALA  36           HB3      ALA  36  -9.873  -2.920   3.409
  258    H    LYS  37           H        LYS  37  -6.400  -2.178   2.395
  259    HA   LYS  37           HA       LYS  37  -5.121  -3.285   4.742
  260    HB2  LYS  37           HB2      LYS  37  -6.610  -5.099   3.935
  261    HB3  LYS  37           HB3      LYS  37  -5.951  -4.928   2.323
  262    HG2  LYS  37           HG2      LYS  37  -5.046  -6.908   3.376
  263    HG3  LYS  37           HG3      LYS  37  -3.762  -5.720   3.175
  264    HD2  LYS  37           HD2      LYS  37  -3.911  -5.098   5.486
  265    HD3  LYS  37           HD3      LYS  37  -5.314  -6.135   5.723
  266    HE2  LYS  37           HE2      LYS  37  -3.266  -7.158   6.607
  267    HE3  LYS  37           HE3      LYS  37  -3.950  -8.109   5.297
  268    HZ1  LYS  37           HZ1      LYS  37  -1.452  -7.595   5.466
  269    HZ2  LYS  37           HZ2      LYS  37  -1.803  -6.159   4.667
  270    HZ3  LYS  37           HZ3      LYS  37  -2.157  -7.683   3.958
  271    H    ALA  38           H        ALA  38  -2.878  -3.457   4.337
  272    HA   ALA  38           HA       ALA  38  -1.981  -3.048   1.615
  273    HB1  ALA  38           HB1      ALA  38  -0.253  -1.511   2.401
  274    HB2  ALA  38           HB2      ALA  38  -0.955  -1.550   4.022
  275    HB3  ALA  38           HB3      ALA  38  -1.870  -0.869   2.669
  276    H    GLU  39           H        GLU  39   0.190  -3.908   1.355
  277    HA   GLU  39           HA       GLU  39   1.218  -5.552   3.534
  278    HB2  GLU  39           HB2      GLU  39  -0.821  -6.663   2.616
  279    HB3  GLU  39           HB3      GLU  39   0.004  -6.789   1.082
  280    HG2  GLU  39           HG2      GLU  39   1.604  -8.290   2.018
  281    HG3  GLU  39           HG3      GLU  39   0.925  -8.054   3.637
  282    H    ASN  40           H        ASN  40   3.266  -6.552   2.931
  283    HA   ASN  40           HA       ASN  40   4.777  -5.149   0.980
  284    HB2  ASN  40           HB2      ASN  40   5.825  -6.176   2.978
  285    HB3  ASN  40           HB3      ASN  40   5.371  -7.770   2.398
  286   HD21  ASN  40          HD21      ASN  40   6.693  -5.183   0.323
  287   HD22  ASN  40          HD22      ASN  40   8.158  -6.020   0.010
  288    H    PHE  41           H        PHE  41   4.809  -5.479  -1.130
  289    HA   PHE  41           HA       PHE  41   3.384  -7.785  -2.217
  290    HB2  PHE  41           HB2      PHE  41   2.750  -5.539  -3.014
  291    HB3  PHE  41           HB3      PHE  41   4.398  -5.254  -3.526
  292    HD1  PHE  41           HD1      PHE  41   5.091  -5.809  -5.690
  293    HD2  PHE  41           HD2      PHE  41   1.461  -7.461  -4.173
  294    HE1  PHE  41           HE1      PHE  41   4.572  -6.712  -7.909
  295    HE2  PHE  41           HE2      PHE  41   0.950  -8.361  -6.397
  296    HZ   PHE  41           HZ       PHE  41   2.502  -7.990  -8.267
  297    H    LYS  42           H        LYS  42   6.442  -6.052  -2.571
  298    HA   LYS  42           HA       LYS  42   7.873  -8.429  -3.250
  299    HB2  LYS  42           HB2      LYS  42   6.822  -7.682  -5.424
  300    HB3  LYS  42           HB3      LYS  42   7.582  -6.122  -5.228
  301    HG2  LYS  42           HG2      LYS  42   9.797  -7.248  -5.380
  302    HG3  LYS  42           HG3      LYS  42   8.944  -8.761  -5.702
  303    HD2  LYS  42           HD2      LYS  42   7.904  -7.742  -7.675
  304    HD3  LYS  42           HD3      LYS  42   8.776  -6.245  -7.355
  305    HE2  LYS  42           HE2      LYS  42   9.924  -7.492  -9.075
  306    HE3  LYS  42           HE3      LYS  42  10.906  -7.457  -7.617
  307    HZ1  LYS  42           HZ1      LYS  42  10.156  -9.729  -7.119
  308    HZ2  LYS  42           HZ2      LYS  42  10.883  -9.643  -8.628
  309    HZ3  LYS  42           HZ3      LYS  42   9.215  -9.721  -8.521
  310    H    ASP  43           H        ASP  43  10.267  -7.579  -3.549
  311    HA   ASP  43           HA       ASP  43  11.095  -5.934  -1.478
  312    HB2  ASP  43           HB2      ASP  43  12.466  -6.365  -4.160
  313    HB3  ASP  43           HB3      ASP  43  13.223  -5.688  -2.734
  314    H    TYR  44           H        TYR  44  10.696  -3.882  -1.158
  315    HA   TYR  44           HA       TYR  44  10.437  -1.665  -1.398
  316    HB2  TYR  44           HB2      TYR  44  11.557  -2.114  -4.161
  317    HB3  TYR  44           HB3      TYR  44  11.083  -0.525  -3.576
  318    HD1  TYR  44           HD1      TYR  44  12.265   0.479  -1.690
  319    HD2  TYR  44           HD2      TYR  44  13.587  -3.132  -3.466
  320    HE1  TYR  44           HE1      TYR  44  14.417   0.803  -0.639
  321    HE2  TYR  44           HE2      TYR  44  15.772  -2.870  -2.436
  322    HH   TYR  44           HH       TYR  44  16.360  -0.621   0.048
  323    H    TYR  45           H        TYR  45   8.351  -3.696  -2.321
  324    HA   TYR  45           HA       TYR  45   6.587  -1.618  -3.405
  325    HB2  TYR  45           HB2      TYR  45   6.739  -4.477  -4.347
  326    HB3  TYR  45           HB3      TYR  45   5.386  -3.412  -4.692
  327    HD1  TYR  45           HD1      TYR  45   5.810  -1.322  -6.007
  328    HD2  TYR  45           HD2      TYR  45   8.703  -4.408  -5.684
  329    HE1  TYR  45           HE1      TYR  45   6.959  -0.444  -7.979
  330    HE2  TYR  45           HE2      TYR  45   9.850  -3.542  -7.662
  331    HH   TYR  45           HH       TYR  45   9.297  -2.191  -9.631
  332    H    CYS  46           H        CYS  46   4.678  -1.470  -2.643
  333    HA   CYS  46           HA       CYS  46   3.801  -3.461  -0.680
  334    HB2  CYS  46           HB2      CYS  46   3.496  -0.460  -0.554
  335    HB3  CYS  46           HB3      CYS  46   2.624  -1.581   0.483
  336    H    ASN  47           H        ASN  47   1.858  -4.248  -1.011
  337    HA   ASN  47           HA       ASN  47   0.383  -3.297  -3.327
  338    HB2  ASN  47           HB2      ASN  47   0.770  -5.749  -3.023
  339    HB3  ASN  47           HB3      ASN  47  -0.154  -5.671  -1.524
  340   HD21  ASN  47          HD21      ASN  47  -1.662  -7.086  -2.292
  341   HD22  ASN  47          HD22      ASN  47  -2.845  -6.685  -3.459
  342    H    CYS  48           H        CYS  48  -1.159  -1.921  -3.069
  343    HA   CYS  48           HA       CYS  48  -2.248  -1.495  -0.402
  344    HB2  CYS  48           HB2      CYS  48  -2.382   0.316  -2.827
  345    HB3  CYS  48           HB3      CYS  48  -2.786   0.689  -1.149
  346    H    HIS  49           H        HIS  49  -4.310  -1.965  -0.043
  347    HA   HIS  49           HA       HIS  49  -5.930  -2.877  -2.287
  348    HB2  HIS  49           HB2      HIS  49  -6.307  -3.296   0.706
  349    HB3  HIS  49           HB3      HIS  49  -7.314  -3.986  -0.557
  350    HD1  HIS  49           HD3      HIS  49  -6.772  -6.390  -0.951
  351    HD2  HIS  49           HD2      HIS  49  -3.439  -4.258   0.319
  352    HE1  HIS  49           HE1      HIS  49  -4.926  -8.094  -0.679
  353    H    ILE  50           H        ILE  50  -6.702  -1.095  -3.025
  354    HA   ILE  50           HA       ILE  50  -7.388   1.128  -1.277
  355    HB   ILE  50           HB       ILE  50  -7.651   1.100  -4.279
  356   HG12  ILE  50          HG12      ILE  50  -5.115   1.763  -2.765
  357   HG13  ILE  50          HG13      ILE  50  -5.375   0.218  -3.565
  358   HG21  ILE  50          HG21      ILE  50  -6.941   3.177  -2.232
  359   HG22  ILE  50          HG22      ILE  50  -8.529   3.001  -2.989
  360   HG23  ILE  50          HG23      ILE  50  -7.125   3.490  -3.961
  361   HD11  ILE  50          HD11      ILE  50  -4.044   1.714  -4.930
  362   HD12  ILE  50          HD12      ILE  50  -5.337   2.913  -4.897
  363   HD13  ILE  50          HD13      ILE  50  -5.590   1.364  -5.701
  364    H    ILE  51           H        ILE  51  -9.445   1.518  -0.695
  365    HA   ILE  51           HA       ILE  51 -11.568  -0.085  -1.796
  366    HB   ILE  51           HB       ILE  51 -11.793   2.240   0.149
  367   HG12  ILE  51          HG12      ILE  51 -11.585  -0.713   0.778
  368   HG13  ILE  51          HG13      ILE  51 -10.289   0.458   1.020
  369   HG21  ILE  51          HG21      ILE  51 -13.926   1.183   0.759
  370   HG22  ILE  51          HG22      ILE  51 -13.642  -0.076  -0.441
  371   HG23  ILE  51          HG23      ILE  51 -13.884   1.591  -0.961
  372   HD11  ILE  51          HD11      ILE  51 -11.665   1.637   2.650
  373   HD12  ILE  51          HD12      ILE  51 -11.460  -0.056   3.103
  374   HD13  ILE  51          HD13      ILE  51 -12.974   0.490   2.383
  375    H    ILE  52           H        ILE  52 -11.949   0.507  -3.834
  376    HA   ILE  52           HA       ILE  52 -11.868   3.158  -4.844
  377    HB   ILE  52           HB       ILE  52 -13.326   0.737  -5.961
  378   HG12  ILE  52          HG12      ILE  52 -10.609   1.878  -6.660
  379   HG13  ILE  52          HG13      ILE  52 -10.899   0.386  -5.774
  380   HG21  ILE  52          HG21      ILE  52 -13.308   1.940  -8.112
  381   HG22  ILE  52          HG22      ILE  52 -12.616   3.348  -7.305
  382   HG23  ILE  52          HG23      ILE  52 -14.236   2.797  -6.878
  383   HD11  ILE  52          HD11      ILE  52 -11.742   0.911  -8.616
  384   HD12  ILE  52          HD12      ILE  52 -11.923  -0.609  -7.736
  385   HD13  ILE  52          HD13      ILE  52 -10.315   0.008  -8.127
  386    H    HIS  53           H        HIS  53 -14.509   0.979  -4.008
  387    HA   HIS  53           HA       HIS  53 -16.172   3.233  -3.289
  388    HB2  HIS  53           HB2      HIS  53 -16.616   2.683  -5.732
  389    HB3  HIS  53           HB3      HIS  53 -17.115   1.083  -5.210
  390    HD1  HIS  53           HD3      HIS  53 -18.474   4.315  -5.974
  391    HD2  HIS  53           HD2      HIS  53 -19.393   1.287  -3.288
  392    HE1  HIS  53           HE1      HIS  53 -20.862   4.701  -5.292
  Start of MODEL    6
    1    H1   GLU   1          1HT       GLU   1 -13.423  -5.636  -3.560
    2    H2   GLU   1          2HT       GLU   1 -14.807  -5.803  -2.604
    3    H3   GLU   1          3HT       GLU   1 -13.354  -5.229  -1.934
    4    HA   GLU   1           HA       GLU   1 -14.780  -3.803  -4.040
    5    HB2  GLU   1           HB2      GLU   1 -15.518  -2.243  -2.234
    6    HB3  GLU   1           HB3      GLU   1 -16.240  -3.831  -2.097
    7    HG2  GLU   1           HG2      GLU   1 -14.643  -4.389  -0.322
    8    HG3  GLU   1           HG3      GLU   1 -13.941  -2.780  -0.458
    9    H    GLU   2           H        GLU   2 -11.907  -4.532  -3.671
   10    HA   GLU   2           HA       GLU   2 -10.838  -1.870  -3.129
   11    HB2  GLU   2           HB2      GLU   2  -9.323  -4.475  -2.865
   12    HB3  GLU   2           HB3      GLU   2  -8.777  -2.877  -2.413
   13    HG2  GLU   2           HG2      GLU   2  -9.248  -3.854  -0.368
   14    HG3  GLU   2           HG3      GLU   2 -10.729  -2.966  -0.704
   15    H    THR   3           H        THR   3  -9.037  -1.308  -4.371
   16    HA   THR   3           HA       THR   3  -8.560  -2.831  -6.815
   17    HB   THR   3           HB       THR   3  -8.232   0.153  -6.297
   18    HG1  THR   3           HG1      THR   3 -10.167  -1.457  -7.439
   19   HG21  THR   3          HG21      THR   3  -7.819  -1.423  -8.860
   20   HG22  THR   3          HG22      THR   3  -6.539  -0.706  -7.883
   21   HG23  THR   3          HG23      THR   3  -7.708   0.331  -8.702
   22    H    GLU   4           H        GLU   4  -6.567  -3.661  -6.910
   23    HA   GLU   4           HA       GLU   4  -4.781  -3.062  -4.691
   24    HB2  GLU   4           HB2      GLU   4  -4.920  -5.386  -6.581
   25    HB3  GLU   4           HB3      GLU   4  -3.653  -5.176  -5.381
   26    HG2  GLU   4           HG2      GLU   4  -5.276  -5.254  -3.597
   27    HG3  GLU   4           HG3      GLU   4  -6.589  -5.351  -4.771
   28    H    GLU   5           H        GLU   5  -3.373  -1.601  -5.045
   29    HA   GLU   5           HA       GLU   5  -2.041  -1.474  -7.664
   30    HB2  GLU   5           HB2      GLU   5  -3.454   0.490  -7.101
   31    HB3  GLU   5           HB3      GLU   5  -2.468   0.756  -5.673
   32    HG2  GLU   5           HG2      GLU   5  -1.777   2.263  -7.388
   33    HG3  GLU   5           HG3      GLU   5  -0.504   1.066  -7.137
   34    HA   PRO   6           HA       PRO   6   1.553  -2.412  -4.999
   35    HB2  PRO   6           HB2      PRO   6   2.918  -2.809  -7.547
   36    HB3  PRO   6           HB3      PRO   6   2.650  -3.970  -6.245
   37    HG2  PRO   6           HG2      PRO   6   1.394  -4.173  -8.625
   38    HG3  PRO   6           HG3      PRO   6   0.632  -4.680  -7.107
   39    HD2  PRO   6           HD2      PRO   6   0.249  -2.151  -8.672
   40    HD3  PRO   6           HD3      PRO   6  -0.958  -3.191  -7.875
   41    H    ILE   7           H        ILE   7   2.399  -0.642  -4.259
   42    HA   ILE   7           HA       ILE   7   3.332   1.499  -6.058
   43    HB   ILE   7           HB       ILE   7   3.220   2.990  -4.108
   44   HG12  ILE   7          HG12      ILE   7   2.395   0.636  -2.436
   45   HG13  ILE   7          HG13      ILE   7   4.091   1.098  -2.558
   46   HG21  ILE   7          HG21      ILE   7   1.171   2.664  -5.205
   47   HG22  ILE   7          HG22      ILE   7   0.960   2.769  -3.438
   48   HG23  ILE   7          HG23      ILE   7   0.856   1.208  -4.248
   49   HD11  ILE   7          HD11      ILE   7   3.072   2.014  -0.594
   50   HD12  ILE   7          HD12      ILE   7   1.840   2.814  -1.600
   51   HD13  ILE   7          HD13      ILE   7   3.545   3.277  -1.737
   52    H    ARG   8           H        ARG   8   5.360   2.524  -5.426
   53    HA   ARG   8           HA       ARG   8   7.371   0.571  -4.630
   54    HB2  ARG   8           HB2      ARG   8   7.758   3.483  -5.440
   55    HB3  ARG   8           HB3      ARG   8   8.990   2.245  -5.245
   56    HG2  ARG   8           HG2      ARG   8   8.224   1.051  -7.131
   57    HG3  ARG   8           HG3      ARG   8   6.855   2.151  -7.343
   58    HD2  ARG   8           HD2      ARG   8   9.780   2.896  -7.510
   59    HD3  ARG   8           HD3      ARG   8   8.710   2.653  -8.888
   60    HE   ARG   8           HE       ARG   8   7.464   4.544  -7.369
   61   HH11  ARG   8          HH11      ARG   8  10.720   4.364  -8.773
   62   HH12  ARG   8          HH12      ARG   8  10.789   6.028  -9.114
   63   HH21  ARG   8          HH21      ARG   8   7.620   6.842  -7.837
   64   HH22  ARG   8          HH22      ARG   8   9.049   7.446  -8.543
   65    H    HIS   9           H        HIS   9   8.305   0.598  -2.653
   66    HA   HIS   9           HA       HIS   9   7.596   2.794  -0.817
   67    HB2  HIS   9           HB2      HIS   9   6.416   0.605  -0.333
   68    HB3  HIS   9           HB3      HIS   9   7.991  -0.140  -0.108
   69    HD1  HIS   9           HD3      HIS   9   8.834  -0.118   2.251
   70    HD2  HIS   9           HD2      HIS   9   5.861   2.679   1.619
   71    HE1  HIS   9           HE1      HIS   9   8.403   1.009   4.495
   72    H    ALA  10           H        ALA  10   9.270   3.186   0.863
   73    HA   ALA  10           HA       ALA  10  11.896   3.068  -0.326
   74    HB1  ALA  10           HB1      ALA  10  12.587   4.482   1.494
   75    HB2  ALA  10           HB2      ALA  10  11.042   4.225   2.313
   76    HB3  ALA  10           HB3      ALA  10  11.094   5.089   0.771
   77    H    LYS  11           H        LYS  11  10.265   0.925   1.579
   78    HA   LYS  11           HA       LYS  11  12.774  -0.098   2.665
   79    HB2  LYS  11           HB2      LYS  11  10.034  -0.237   3.957
   80    HB3  LYS  11           HB3      LYS  11  11.360  -1.268   4.443
   81    HG2  LYS  11           HG2      LYS  11  11.170   0.544   6.011
   82    HG3  LYS  11           HG3      LYS  11  12.651   0.762   5.087
   83    HD2  LYS  11           HD2      LYS  11  11.535   2.443   3.701
   84    HD3  LYS  11           HD3      LYS  11  10.037   2.206   4.593
   85    HE2  LYS  11           HE2      LYS  11  12.639   3.203   5.735
   86    HE3  LYS  11           HE3      LYS  11  11.233   4.194   5.350
   87    HZ1  LYS  11           HZ1      LYS  11  11.282   3.688   7.685
   88    HZ2  LYS  11           HZ2      LYS  11  11.371   2.049   7.390
   89    HZ3  LYS  11           HZ3      LYS  11   9.961   2.891   6.993
   90    H    LYS  12           H        LYS  12  13.235  -2.090   2.287
   91    HA   LYS  12           HA       LYS  12  12.350  -3.425   0.060
   92    HB2  LYS  12           HB2      LYS  12  14.526  -3.711   1.038
   93    HB3  LYS  12           HB3      LYS  12  13.824  -4.401   2.490
   94    HG2  LYS  12           HG2      LYS  12  13.034  -6.310   1.166
   95    HG3  LYS  12           HG3      LYS  12  13.812  -5.611  -0.259
   96    HD2  LYS  12           HD2      LYS  12  15.967  -5.704   0.861
   97    HD3  LYS  12           HD3      LYS  12  15.203  -6.388   2.297
   98    HE2  LYS  12           HE2      LYS  12  14.496  -8.321   1.013
   99    HE3  LYS  12           HE3      LYS  12  15.213  -7.628  -0.439
  100    HZ1  LYS  12           HZ1      LYS  12  16.636  -9.274   0.577
  101    HZ2  LYS  12           HZ2      LYS  12  16.682  -8.391   2.012
  102    HZ3  LYS  12           HZ3      LYS  12  17.374  -7.755   0.614
  103    H    ASN  13           H        ASN  13  11.675  -4.139   3.425
  104    HA   ASN  13           HA       ASN  13   9.354  -5.751   2.650
  105    HB2  ASN  13           HB2      ASN  13  11.327  -7.289   2.967
  106    HB3  ASN  13           HB3      ASN  13  11.440  -6.719   4.626
  107   HD21  ASN  13          HD21      ASN  13   9.690  -8.651   2.385
  108   HD22  ASN  13          HD22      ASN  13   8.684  -9.457   3.537
  109    HA   PRO  14           HA       PRO  14   8.502  -3.032   6.207
  110    HB2  PRO  14           HB2      PRO  14   6.390  -1.792   4.829
  111    HB3  PRO  14           HB3      PRO  14   8.038  -1.192   4.931
  112    HG2  PRO  14           HG2      PRO  14   6.763  -2.082   2.610
  113    HG3  PRO  14           HG3      PRO  14   8.505  -1.847   2.813
  114    HD2  PRO  14           HD2      PRO  14   6.890  -4.345   3.011
  115    HD3  PRO  14           HD3      PRO  14   8.495  -4.066   2.285
  116    H    SER  15           H        SER  15   6.537  -2.622   7.484
  117    HA   SER  15           HA       SER  15   4.708  -4.860   7.517
  118    HB2  SER  15           HB2      SER  15   4.049  -3.752   9.697
  119    HB3  SER  15           HB3      SER  15   5.734  -4.263   9.623
  120    HG   SER  15           HG       SER  15   5.047  -1.966  10.334
  121    H    GLU  16           H        GLU  16   2.334  -3.991   8.214
  122    HA   GLU  16           HA       GLU  16   1.529  -2.410   6.016
  123    HB2  GLU  16           HB2      GLU  16  -0.025  -3.522   8.314
  124    HB3  GLU  16           HB3      GLU  16  -0.752  -2.484   7.096
  125    HG2  GLU  16           HG2      GLU  16   0.084  -4.130   5.385
  126    HG3  GLU  16           HG3      GLU  16   0.450  -5.202   6.740
  127    H    GLY  17           H        GLY  17   2.460  -1.635   9.183
  128    HA2  GLY  17           HA2      GLY  17   1.197   0.864   9.436
  129    HA3  GLY  17           HA3      GLY  17   2.782   0.470  10.109
  130    H    GLU  18           H        GLU  18   4.382   0.061   8.167
  131    HA   GLU  18           HA       GLU  18   5.053   2.514   7.032
  132    HB2  GLU  18           HB2      GLU  18   5.840  -0.295   6.311
  133    HB3  GLU  18           HB3      GLU  18   6.551   1.123   5.563
  134    HG2  GLU  18           HG2      GLU  18   6.654   0.459   8.494
  135    HG3  GLU  18           HG3      GLU  18   7.941   0.156   7.331
  136    H    CYS  19           H        CYS  19   3.656  -0.384   5.501
  137    HA   CYS  19           HA       CYS  19   3.482   0.899   3.026
  138    HB2  CYS  19           HB2      CYS  19   2.227  -1.672   3.925
  139    HB3  CYS  19           HB3      CYS  19   2.185  -1.071   2.269
  140    H    LYS  20           H        LYS  20   0.898   0.405   5.501
  141    HA   LYS  20           HA       LYS  20  -0.952   1.480   3.725
  142    HB2  LYS  20           HB2      LYS  20  -1.068   1.291   6.733
  143    HB3  LYS  20           HB3      LYS  20  -2.305   2.132   5.832
  144    HG2  LYS  20           HG2      LYS  20  -2.646  -0.095   4.585
  145    HG3  LYS  20           HG3      LYS  20  -1.693  -0.812   5.897
  146    HD2  LYS  20           HD2      LYS  20  -3.214   0.153   7.544
  147    HD3  LYS  20           HD3      LYS  20  -4.156   0.898   6.268
  148    HE2  LYS  20           HE2      LYS  20  -5.372  -1.002   6.957
  149    HE3  LYS  20           HE3      LYS  20  -4.640  -1.433   5.419
  150    HZ1  LYS  20           HZ1      LYS  20  -3.058  -2.841   6.541
  151    HZ2  LYS  20           HZ2      LYS  20  -4.544  -3.158   7.228
  152    HZ3  LYS  20           HZ3      LYS  20  -3.470  -2.194   8.045
  153    H    LYS  21           H        LYS  21   1.323   2.923   6.005
  154    HA   LYS  21           HA       LYS  21   0.411   5.545   5.936
  155    HB2  LYS  21           HB2      LYS  21   2.214   4.948   7.426
  156    HB3  LYS  21           HB3      LYS  21   3.224   4.443   6.085
  157    HG2  LYS  21           HG2      LYS  21   3.973   6.577   7.018
  158    HG3  LYS  21           HG3      LYS  21   3.440   6.756   5.350
  159    HD2  LYS  21           HD2      LYS  21   1.324   7.692   6.104
  160    HD3  LYS  21           HD3      LYS  21   1.788   7.424   7.783
  161    HE2  LYS  21           HE2      LYS  21   2.142   9.760   7.183
  162    HE3  LYS  21           HE3      LYS  21   3.671   8.965   7.526
  163    HZ1  LYS  21           HZ1      LYS  21   3.934   8.738   5.023
  164    HZ2  LYS  21           HZ2      LYS  21   3.996  10.278   5.650
  165    HZ3  LYS  21           HZ3      LYS  21   2.631   9.814   4.854
  166    H    ALA  22           H        ALA  22   2.757   3.967   3.782
  167    HA   ALA  22           HA       ALA  22   3.015   6.154   2.035
  168    HB1  ALA  22           HB1      ALA  22   4.088   4.586   0.509
  169    HB2  ALA  22           HB2      ALA  22   3.476   3.232   1.461
  170    HB3  ALA  22           HB3      ALA  22   4.647   4.349   2.165
  171    H    CYS  23           H        CYS  23   0.962   3.251   1.808
  172    HA   CYS  23           HA       CYS  23  -0.251   3.742  -0.649
  173    HB2  CYS  23           HB2      CYS  23  -1.444   2.466   1.816
  174    HB3  CYS  23           HB3      CYS  23  -2.157   2.398   0.214
  175    H    ALA  24           H        ALA  24  -1.121   4.902   2.559
  176    HA   ALA  24           HA       ALA  24  -3.471   6.225   1.679
  177    HB1  ALA  24           HB1      ALA  24  -3.179   5.451   3.964
  178    HB2  ALA  24           HB2      ALA  24  -3.478   7.190   3.903
  179    HB3  ALA  24           HB3      ALA  24  -1.845   6.583   4.178
  180    H    ASP  25           H        ASP  25  -0.237   7.237   2.581
  181    HA   ASP  25           HA       ASP  25  -0.528   9.991   2.490
  182    HB2  ASP  25           HB2      ASP  25   1.387   8.610   3.378
  183    HB3  ASP  25           HB3      ASP  25   1.945   8.467   1.720
  184    H    ALA  26           H        ALA  26   0.415   7.754  -0.080
  185    HA   ALA  26           HA       ALA  26   0.681   9.940  -1.958
  186    HB1  ALA  26           HB1      ALA  26   1.565   8.287  -3.489
  187    HB2  ALA  26           HB2      ALA  26   1.115   6.993  -2.380
  188    HB3  ALA  26           HB3      ALA  26   2.354   8.159  -1.915
  189    H    PHE  27           H        PHE  27  -1.972   8.222  -0.920
  190    HA   PHE  27           HA       PHE  27  -3.217   8.518  -3.580
  191    HB2  PHE  27           HB2      PHE  27  -3.469   6.161  -1.757
  192    HB3  PHE  27           HB3      PHE  27  -4.746   6.553  -2.897
  193    HD1  PHE  27           HD1      PHE  27  -1.699   4.723  -2.453
  194    HD2  PHE  27           HD2      PHE  27  -3.979   6.904  -5.337
  195    HE1  PHE  27           HE1      PHE  27  -0.594   3.543  -4.224
  196    HE2  PHE  27           HE2      PHE  27  -2.822   5.726  -7.124
  197    HZ   PHE  27           HZ       PHE  27  -1.115   4.032  -6.581
  198    H    ALA  28           H        ALA  28  -3.862   8.385  -0.131
  199    HA   ALA  28           HA       ALA  28  -6.405   9.807  -0.571
  200    HB1  ALA  28           HB1      ALA  28  -5.629   7.882   1.623
  201    HB2  ALA  28           HB2      ALA  28  -6.735   7.544   0.288
  202    HB3  ALA  28           HB3      ALA  28  -7.158   8.750   1.508
  203    H    ASN  29           H        ASN  29  -3.495  10.595  -0.025
  204    HA   ASN  29           HA       ASN  29  -2.375  12.274   0.976
  205    HB2  ASN  29           HB2      ASN  29  -5.168  13.214   1.636
  206    HB3  ASN  29           HB3      ASN  29  -3.734  14.132   2.071
  207   HD21  ASN  29          HD21      ASN  29  -4.318  15.839   0.781
  208   HD22  ASN  29          HD22      ASN  29  -4.249  15.796  -0.940
  209    H    GLY  30           H        GLY  30  -3.276   9.845   2.582
  210    HA2  GLY  30           HA2      GLY  30  -1.840   9.542   4.611
  211    HA3  GLY  30           HA3      GLY  30  -2.561  11.032   5.192
  212    H    ASP  31           H        ASP  31  -5.167   9.814   3.868
  213    HA   ASP  31           HA       ASP  31  -6.122   8.714   6.327
  214    HB2  ASP  31           HB2      ASP  31  -7.643   9.985   4.851
  215    HB3  ASP  31           HB3      ASP  31  -7.478   8.732   3.623
  216    H    GLN  32           H        GLN  32  -5.752   6.750   7.012
  217    HA   GLN  32           HA       GLN  32  -4.940   4.697   5.129
  218    HB2  GLN  32           HB2      GLN  32  -4.952   4.709   8.146
  219    HB3  GLN  32           HB3      GLN  32  -4.250   3.458   7.126
  220    HG2  GLN  32           HG2      GLN  32  -2.661   5.066   6.227
  221    HG3  GLN  32           HG3      GLN  32  -3.377   6.334   7.217
  222   HE21  GLN  32          HE21      GLN  32  -1.394   3.563   7.169
  223   HE22  GLN  32          HE22      GLN  32  -0.753   3.703   8.772
  224    H    SER  33           H        SER  33  -7.828   5.721   6.116
  225    HA   SER  33           HA       SER  33  -8.973   3.189   6.856
  226    HB2  SER  33           HB2      SER  33 -10.248   5.876   6.334
  227    HB3  SER  33           HB3      SER  33 -11.057   4.473   7.035
  228    HG   SER  33           HG       SER  33  -9.809   4.623   8.823
  229    H    LYS  34           H        LYS  34  -8.861   5.350   4.076
  230    HA   LYS  34           HA       LYS  34 -10.587   3.818   2.415
  231    HB2  LYS  34           HB2      LYS  34  -8.398   5.772   1.673
  232    HB3  LYS  34           HB3      LYS  34  -9.587   5.125   0.550
  233    HG2  LYS  34           HG2      LYS  34 -11.380   6.205   1.758
  234    HG3  LYS  34           HG3      LYS  34 -10.255   6.748   2.999
  235    HD2  LYS  34           HD2      LYS  34 -10.742   8.594   1.528
  236    HD3  LYS  34           HD3      LYS  34  -9.074   8.092   1.271
  237    HE2  LYS  34           HE2      LYS  34 -10.074   8.539  -0.856
  238    HE3  LYS  34           HE3      LYS  34  -9.851   6.797  -0.717
  239    HZ1  LYS  34           HZ1      LYS  34 -12.398   8.270  -0.302
  240    HZ2  LYS  34           HZ2      LYS  34 -12.196   6.617  -0.126
  241    HZ3  LYS  34           HZ3      LYS  34 -12.001   7.331  -1.639
  242    H    ILE  35           H        ILE  35  -7.515   3.241   3.543
  243    HA   ILE  35           HA       ILE  35  -6.868   1.364   1.385
  244    HB   ILE  35           HB       ILE  35  -5.163   2.194   3.764
  245   HG12  ILE  35          HG12      ILE  35  -5.487   4.114   2.281
  246   HG13  ILE  35          HG13      ILE  35  -3.833   3.531   2.163
  247   HG21  ILE  35          HG21      ILE  35  -4.580  -0.011   2.919
  248   HG22  ILE  35          HG22      ILE  35  -3.304   1.147   2.539
  249   HG23  ILE  35          HG23      ILE  35  -4.432   0.634   1.283
  250   HD11  ILE  35          HD11      ILE  35  -4.403   2.408   0.052
  251   HD12  ILE  35          HD12      ILE  35  -4.691   4.146  -0.015
  252   HD13  ILE  35          HD13      ILE  35  -6.046   3.034   0.179
  253    H    ALA  36           H        ALA  36  -7.891  -0.494   1.733
  254    HA   ALA  36           HA       ALA  36  -8.932  -1.279   4.264
  255    HB1  ALA  36           HB1      ALA  36  -8.662  -2.879   1.725
  256    HB2  ALA  36           HB2      ALA  36 -10.037  -1.863   2.166
  257    HB3  ALA  36           HB3      ALA  36  -9.663  -3.301   3.114
  258    H    LYS  37           H        LYS  37  -6.195  -2.289   2.332
  259    HA   LYS  37           HA       LYS  37  -4.906  -3.459   4.611
  260    HB2  LYS  37           HB2      LYS  37  -6.415  -5.290   3.814
  261    HB3  LYS  37           HB3      LYS  37  -5.691  -5.168   2.222
  262    HG2  LYS  37           HG2      LYS  37  -3.518  -5.840   3.207
  263    HG3  LYS  37           HG3      LYS  37  -4.324  -6.050   4.760
  264    HD2  LYS  37           HD2      LYS  37  -5.773  -7.758   3.776
  265    HD3  LYS  37           HD3      LYS  37  -4.990  -7.526   2.212
  266    HE2  LYS  37           HE2      LYS  37  -3.645  -8.495   4.739
  267    HE3  LYS  37           HE3      LYS  37  -4.117  -9.491   3.369
  268    HZ1  LYS  37           HZ1      LYS  37  -1.758  -8.936   3.304
  269    HZ2  LYS  37           HZ2      LYS  37  -2.095  -7.301   3.277
  270    HZ3  LYS  37           HZ3      LYS  37  -2.571  -8.297   1.978
  271    H    ALA  38           H        ALA  38  -2.693  -4.022   4.007
  272    HA   ALA  38           HA       ALA  38  -1.840  -3.207   1.349
  273    HB1  ALA  38           HB1      ALA  38  -1.289  -1.379   2.841
  274    HB2  ALA  38           HB2      ALA  38   0.184  -2.241   2.389
  275    HB3  ALA  38           HB3      ALA  38  -0.534  -2.491   3.986
  276    H    GLU  39           H        GLU  39   0.072  -4.396   0.759
  277    HA   GLU  39           HA       GLU  39   0.860  -6.543   2.570
  278    HB2  GLU  39           HB2      GLU  39  -1.065  -7.425   1.270
  279    HB3  GLU  39           HB3      GLU  39  -0.193  -7.095  -0.217
  280    HG2  GLU  39           HG2      GLU  39  -0.098  -9.466   0.435
  281    HG3  GLU  39           HG3      GLU  39   1.497  -8.716   0.364
  282    H    ASN  40           H        ASN  40   2.906  -7.316   2.130
  283    HA   ASN  40           HA       ASN  40   4.547  -5.628   0.503
  284    HB2  ASN  40           HB2      ASN  40   5.603  -6.644   2.452
  285    HB3  ASN  40           HB3      ASN  40   5.189  -8.256   1.876
  286   HD21  ASN  40          HD21      ASN  40   7.225  -5.475   1.311
  287   HD22  ASN  40          HD22      ASN  40   8.414  -6.279   0.361
  288    H    PHE  41           H        PHE  41   4.615  -5.699  -1.525
  289    HA   PHE  41           HA       PHE  41   3.445  -7.911  -2.967
  290    HB2  PHE  41           HB2      PHE  41   2.812  -5.648  -3.603
  291    HB3  PHE  41           HB3      PHE  41   4.495  -5.225  -3.868
  292    HD1  PHE  41           HD1      PHE  41   1.645  -7.160  -5.168
  293    HD2  PHE  41           HD2      PHE  41   5.617  -5.807  -5.888
  294    HE1  PHE  41           HE1      PHE  41   1.458  -7.839  -7.517
  295    HE2  PHE  41           HE2      PHE  41   5.446  -6.483  -8.213
  296    HZ   PHE  41           HZ       PHE  41   3.360  -7.505  -9.052
  297    H    LYS  42           H        LYS  42   6.514  -6.270  -2.588
  298    HA   LYS  42           HA       LYS  42   8.061  -8.466  -3.343
  299    HB2  LYS  42           HB2      LYS  42   7.188  -7.793  -5.596
  300    HB3  LYS  42           HB3      LYS  42   7.790  -6.174  -5.340
  301    HG2  LYS  42           HG2      LYS  42   9.151  -7.517  -6.873
  302    HG3  LYS  42           HG3      LYS  42  10.057  -6.943  -5.477
  303    HD2  LYS  42           HD2      LYS  42   9.906  -9.127  -4.439
  304    HD3  LYS  42           HD3      LYS  42   8.850  -9.709  -5.724
  305    HE2  LYS  42           HE2      LYS  42  11.692  -8.780  -6.063
  306    HE3  LYS  42           HE3      LYS  42  11.180 -10.466  -6.005
  307    HZ1  LYS  42           HZ1      LYS  42  11.466  -9.727  -8.271
  308    HZ2  LYS  42           HZ2      LYS  42  10.395  -8.459  -8.054
  309    HZ3  LYS  42           HZ3      LYS  42   9.833 -10.050  -7.990
  310    H    ASP  43           H        ASP  43  10.414  -7.475  -3.548
  311    HA   ASP  43           HA       ASP  43  11.022  -6.002  -1.277
  312    HB2  ASP  43           HB2      ASP  43  12.647  -6.222  -3.820
  313    HB3  ASP  43           HB3      ASP  43  13.269  -5.826  -2.225
  314    H    TYR  44           H        TYR  44  10.546  -3.992  -0.901
  315    HA   TYR  44           HA       TYR  44  10.349  -1.743  -1.045
  316    HB2  TYR  44           HB2      TYR  44  11.724  -2.069  -3.721
  317    HB3  TYR  44           HB3      TYR  44  11.225  -0.512  -3.080
  318    HD1  TYR  44           HD1      TYR  44  12.342   0.431  -1.150
  319    HD2  TYR  44           HD2      TYR  44  13.656  -3.214  -2.867
  320    HE1  TYR  44           HE1      TYR  44  14.448   0.662   0.040
  321    HE2  TYR  44           HE2      TYR  44  15.790  -3.020  -1.677
  322    HH   TYR  44           HH       TYR  44  16.234  -0.940   0.856
  323    H    TYR  45           H        TYR  45   8.363  -3.713  -2.127
  324    HA   TYR  45           HA       TYR  45   6.681  -1.683  -3.403
  325    HB2  TYR  45           HB2      TYR  45   7.037  -4.528  -4.328
  326    HB3  TYR  45           HB3      TYR  45   5.671  -3.528  -4.785
  327    HD1  TYR  45           HD1      TYR  45   9.089  -4.395  -5.507
  328    HD2  TYR  45           HD2      TYR  45   6.106  -1.433  -6.060
  329    HE1  TYR  45           HE1      TYR  45  10.339  -3.523  -7.414
  330    HE2  TYR  45           HE2      TYR  45   7.349  -0.530  -7.979
  331    HH   TYR  45           HH       TYR  45   9.861  -2.223  -9.461
  332    H    CYS  46           H        CYS  46   4.725  -1.588  -2.712
  333    HA   CYS  46           HA       CYS  46   3.695  -3.822  -1.207
  334    HB2  CYS  46           HB2      CYS  46   4.003  -1.097  -0.093
  335    HB3  CYS  46           HB3      CYS  46   2.470  -1.906   0.241
  336    H    ASN  47           H        ASN  47   1.767  -4.382  -1.458
  337    HA   ASN  47           HA       ASN  47   0.318  -3.198  -3.664
  338    HB2  ASN  47           HB2      ASN  47   0.697  -5.644  -3.581
  339    HB3  ASN  47           HB3      ASN  47  -0.159  -5.711  -2.048
  340   HD21  ASN  47          HD21      ASN  47  -2.399  -5.697  -2.053
  341   HD22  ASN  47          HD22      ASN  47  -3.297  -5.810  -3.501
  342    H    CYS  48           H        CYS  48  -0.937  -1.625  -3.180
  343    HA   CYS  48           HA       CYS  48  -2.102  -1.350  -0.557
  344    HB2  CYS  48           HB2      CYS  48  -2.213   0.464  -2.985
  345    HB3  CYS  48           HB3      CYS  48  -2.691   0.855  -1.331
  346    H    HIS  49           H        HIS  49  -4.165  -1.822  -0.146
  347    HA   HIS  49           HA       HIS  49  -5.843  -2.667  -2.393
  348    HB2  HIS  49           HB2      HIS  49  -6.188  -3.228   0.583
  349    HB3  HIS  49           HB3      HIS  49  -7.190  -3.865  -0.709
  350    HD1  HIS  49           HD3      HIS  49  -6.665  -6.307  -1.088
  351    HD2  HIS  49           HD2      HIS  49  -3.314  -4.122   0.041
  352    HE1  HIS  49           HE1      HIS  49  -4.795  -7.959  -0.904
  353    H    ILE  50           H        ILE  50  -6.586  -0.750  -3.008
  354    HA   ILE  50           HA       ILE  50  -7.415   1.180  -1.005
  355    HB   ILE  50           HB       ILE  50  -7.555   1.529  -4.010
  356   HG12  ILE  50          HG12      ILE  50  -5.182   2.153  -2.219
  357   HG13  ILE  50          HG13      ILE  50  -5.250   0.790  -3.328
  358   HG21  ILE  50          HG21      ILE  50  -7.172   3.383  -1.684
  359   HG22  ILE  50          HG22      ILE  50  -8.691   3.161  -2.560
  360   HG23  ILE  50          HG23      ILE  50  -7.290   3.900  -3.369
  361   HD11  ILE  50          HD11      ILE  50  -3.969   2.630  -4.261
  362   HD12  ILE  50          HD12      ILE  50  -5.360   3.701  -4.092
  363   HD13  ILE  50          HD13      ILE  50  -5.425   2.338  -5.212
  364    H    ILE  51           H        ILE  51  -9.474   1.339  -0.409
  365    HA   ILE  51           HA       ILE  51 -11.488  -0.351  -1.489
  366    HB   ILE  51           HB       ILE  51 -11.773   2.061   0.341
  367   HG12  ILE  51          HG12      ILE  51 -11.605  -0.878   1.027
  368   HG13  ILE  51          HG13      ILE  51 -10.307   0.289   1.256
  369   HG21  ILE  51          HG21      ILE  51 -13.884   1.480  -0.722
  370   HG22  ILE  51          HG22      ILE  51 -13.913   1.058   0.990
  371   HG23  ILE  51          HG23      ILE  51 -13.691  -0.203  -0.222
  372   HD11  ILE  51          HD11      ILE  51 -12.989   0.322   2.630
  373   HD12  ILE  51          HD12      ILE  51 -11.698   1.501   2.867
  374   HD13  ILE  51          HD13      ILE  51 -11.456  -0.180   3.344
  375    H    ILE  52           H        ILE  52 -12.761   0.016  -3.163
  376    HA   ILE  52           HA       ILE  52 -12.373   2.237  -4.864
  377    HB   ILE  52           HB       ILE  52 -14.564   0.136  -4.923
  378   HG12  ILE  52          HG12      ILE  52 -11.929   0.288  -6.402
  379   HG13  ILE  52          HG13      ILE  52 -12.264  -0.754  -5.028
  380   HG21  ILE  52          HG21      ILE  52 -15.182   2.094  -6.263
  381   HG22  ILE  52          HG22      ILE  52 -14.803   0.720  -7.301
  382   HG23  ILE  52          HG23      ILE  52 -13.631   2.022  -7.101
  383   HD11  ILE  52          HD11      ILE  52 -13.932  -1.937  -6.323
  384   HD12  ILE  52          HD12      ILE  52 -12.363  -1.964  -7.133
  385   HD13  ILE  52          HD13      ILE  52 -13.632  -0.876  -7.699
  386    H    HIS  53           H        HIS  53 -14.700   1.566  -2.396
  387    HA   HIS  53           HA       HIS  53 -16.581   3.591  -3.125
  388    HB2  HIS  53           HB2      HIS  53 -16.181   2.275  -0.421
  389    HB3  HIS  53           HB3      HIS  53 -17.594   3.187  -0.926
  390    HD1  HIS  53           HD3      HIS  53 -19.170   1.960  -2.728
  391    HD2  HIS  53           HD2      HIS  53 -16.148  -0.361  -1.077
  392    HE1  HIS  53           HE1      HIS  53 -19.747  -0.429  -3.264
  Start of MODEL    7
    1    H1   GLU   1          1HT       GLU   1 -15.727  -2.401  -2.125
    2    H2   GLU   1          2HT       GLU   1 -17.030  -2.396  -3.172
    3    H3   GLU   1          3HT       GLU   1 -16.069  -1.025  -3.047
    4    HA   GLU   1           HA       GLU   1 -15.240  -3.656  -4.088
    5    HB2  GLU   1           HB2      GLU   1 -16.739  -2.346  -5.579
    6    HB3  GLU   1           HB3      GLU   1 -15.605  -1.006  -5.489
    7    HG2  GLU   1           HG2      GLU   1 -15.419  -2.293  -7.575
    8    HG3  GLU   1           HG3      GLU   1 -13.927  -2.281  -6.637
    9    H    GLU   2           H        GLU   2 -13.244  -4.036  -3.564
   10    HA   GLU   2           HA       GLU   2 -11.305  -1.889  -3.047
   11    HB2  GLU   2           HB2      GLU   2 -11.187  -4.857  -2.571
   12    HB3  GLU   2           HB3      GLU   2  -9.920  -3.719  -2.168
   13    HG2  GLU   2           HG2      GLU   2 -11.305  -2.698  -0.504
   14    HG3  GLU   2           HG3      GLU   2 -12.680  -3.697  -0.999
   15    H    THR   3           H        THR   3  -9.228  -2.031  -4.064
   16    HA   THR   3           HA       THR   3  -8.872  -4.042  -6.106
   17    HB   THR   3           HB       THR   3  -8.613  -1.074  -6.747
   18    HG1  THR   3           HG1      THR   3 -10.703  -2.768  -6.784
   19   HG21  THR   3          HG21      THR   3  -8.361  -3.535  -8.505
   20   HG22  THR   3          HG22      THR   3  -7.025  -2.500  -7.998
   21   HG23  THR   3          HG23      THR   3  -8.278  -1.869  -9.068
   22    H    GLU   4           H        GLU   4  -6.766  -4.634  -6.329
   23    HA   GLU   4           HA       GLU   4  -4.873  -3.698  -4.371
   24    HB2  GLU   4           HB2      GLU   4  -4.623  -5.729  -6.587
   25    HB3  GLU   4           HB3      GLU   4  -3.420  -5.428  -5.349
   26    HG2  GLU   4           HG2      GLU   4  -4.974  -6.192  -3.643
   27    HG3  GLU   4           HG3      GLU   4  -6.197  -6.477  -4.888
   28    H    GLU   5           H        GLU   5  -3.246  -2.374  -4.754
   29    HA   GLU   5           HA       GLU   5  -2.432  -1.791  -7.491
   30    HB2  GLU   5           HB2      GLU   5  -4.132  -0.108  -6.820
   31    HB3  GLU   5           HB3      GLU   5  -3.138   0.322  -5.443
   32    HG2  GLU   5           HG2      GLU   5  -2.969   1.915  -7.306
   33    HG3  GLU   5           HG3      GLU   5  -1.424   1.179  -6.879
   34    HA   PRO   6           HA       PRO   6   1.368  -2.414  -5.051
   35    HB2  PRO   6           HB2      PRO   6   2.631  -2.601  -7.683
   36    HB3  PRO   6           HB3      PRO   6   2.537  -3.816  -6.407
   37    HG2  PRO   6           HG2      PRO   6   1.175  -4.050  -8.722
   38    HG3  PRO   6           HG3      PRO   6   0.551  -4.670  -7.184
   39    HD2  PRO   6           HD2      PRO   6  -0.183  -2.162  -8.649
   40    HD3  PRO   6           HD3      PRO   6  -1.211  -3.326  -7.785
   41    H    ILE   7           H        ILE   7   2.220  -0.660  -4.266
   42    HA   ILE   7           HA       ILE   7   3.044   1.579  -6.011
   43    HB   ILE   7           HB       ILE   7   2.840   3.043  -4.045
   44   HG12  ILE   7          HG12      ILE   7   2.097   0.638  -2.400
   45   HG13  ILE   7          HG13      ILE   7   3.773   1.166  -2.511
   46   HG21  ILE   7          HG21      ILE   7   0.622   2.783  -3.419
   47   HG22  ILE   7          HG22      ILE   7   0.538   1.204  -4.222
   48   HG23  ILE   7          HG23      ILE   7   0.834   2.672  -5.170
   49   HD11  ILE   7          HD11      ILE   7   2.701   2.030  -0.544
   50   HD12  ILE   7          HD12      ILE   7   1.467   2.808  -1.562
   51   HD13  ILE   7          HD13      ILE   7   3.160   3.314  -1.668
   52    H    ARG   8           H        ARG   8   4.991   2.716  -5.116
   53    HA   ARG   8           HA       ARG   8   7.148   0.842  -4.550
   54    HB2  ARG   8           HB2      ARG   8   7.158   3.839  -4.923
   55    HB3  ARG   8           HB3      ARG   8   8.554   2.779  -4.852
   56    HG2  ARG   8           HG2      ARG   8   8.106   1.857  -6.947
   57    HG3  ARG   8           HG3      ARG   8   6.463   2.520  -6.978
   58    HD2  ARG   8           HD2      ARG   8   8.987   4.173  -6.944
   59    HD3  ARG   8           HD3      ARG   8   8.059   3.782  -8.394
   60    HE   ARG   8           HE       ARG   8   6.183   4.952  -7.394
   61   HH11  ARG   8          HH11      ARG   8   9.359   5.715  -5.943
   62   HH12  ARG   8          HH12      ARG   8   8.914   7.297  -5.505
   63   HH21  ARG   8          HH21      ARG   8   5.608   7.114  -6.745
   64   HH22  ARG   8          HH22      ARG   8   6.765   8.109  -5.980
   65    H    HIS   9           H        HIS   9   8.329   0.920  -2.611
   66    HA   HIS   9           HA       HIS   9   7.563   2.911  -0.620
   67    HB2  HIS   9           HB2      HIS   9   6.354   0.746  -0.150
   68    HB3  HIS   9           HB3      HIS   9   7.924  -0.034   0.002
   69    HD1  HIS   9           HD3      HIS   9   9.448   0.902   2.073
   70    HD2  HIS   9           HD2      HIS   9   5.428   1.917   2.094
   71    HE1  HIS   9           HE1      HIS   9   8.931   1.678   4.421
   72    H    ALA  10           H        ALA  10   9.336   3.681   0.470
   73    HA   ALA  10           HA       ALA  10  11.877   2.767  -0.522
   74    HB1  ALA  10           HB1      ALA  10  12.867   4.671   0.530
   75    HB2  ALA  10           HB2      ALA  10  11.349   5.061   1.352
   76    HB3  ALA  10           HB3      ALA  10  11.461   5.155  -0.412
   77    H    LYS  11           H        LYS  11  11.568   0.680   0.529
   78    HA   LYS  11           HA       LYS  11  13.472   0.305   2.480
   79    HB2  LYS  11           HB2      LYS  11  11.694   1.110   4.054
   80    HB3  LYS  11           HB3      LYS  11  10.611  -0.129   3.440
   81    HG2  LYS  11           HG2      LYS  11  12.014  -1.873   4.329
   82    HG3  LYS  11           HG3      LYS  11  13.227  -0.693   4.824
   83    HD2  LYS  11           HD2      LYS  11  10.400  -0.801   5.884
   84    HD3  LYS  11           HD3      LYS  11  11.796  -1.513   6.696
   85    HE2  LYS  11           HE2      LYS  11  11.390   1.422   6.067
   86    HE3  LYS  11           HE3      LYS  11  11.231   0.664   7.646
   87    HZ1  LYS  11           HZ1      LYS  11  13.607   0.086   7.529
   88    HZ2  LYS  11           HZ2      LYS  11  13.357   1.740   7.450
   89    HZ3  LYS  11           HZ3      LYS  11  13.741   0.891   6.057
   90    H    LYS  12           H        LYS  12  14.097  -1.800   2.269
   91    HA   LYS  12           HA       LYS  12  13.326  -3.202   0.017
   92    HB2  LYS  12           HB2      LYS  12  15.473  -3.514   1.207
   93    HB3  LYS  12           HB3      LYS  12  14.621  -4.344   2.498
   94    HG2  LYS  12           HG2      LYS  12  13.920  -6.075   0.882
   95    HG3  LYS  12           HG3      LYS  12  14.871  -5.261  -0.360
   96    HD2  LYS  12           HD2      LYS  12  16.887  -5.571   1.004
   97    HD3  LYS  12           HD3      LYS  12  15.930  -6.417   2.218
   98    HE2  LYS  12           HE2      LYS  12  16.393  -7.280  -0.638
   99    HE3  LYS  12           HE3      LYS  12  17.097  -8.008   0.803
  100    HZ1  LYS  12           HZ1      LYS  12  15.259  -9.340   0.101
  101    HZ2  LYS  12           HZ2      LYS  12  14.265  -8.022  -0.052
  102    HZ3  LYS  12           HZ3      LYS  12  14.738  -8.527   1.495
  103    H    ASN  13           H        ASN  13  12.510  -3.992   3.382
  104    HA   ASN  13           HA       ASN  13  10.111  -5.258   2.339
  105    HB2  ASN  13           HB2      ASN  13  11.743  -7.059   2.807
  106    HB3  ASN  13           HB3      ASN  13  11.868  -6.501   4.469
  107   HD21  ASN  13          HD21      ASN  13   9.814  -8.050   2.131
  108   HD22  ASN  13          HD22      ASN  13   8.698  -8.718   3.278
  109    HA   PRO  14           HA       PRO  14   8.899  -2.354   5.660
  110    HB2  PRO  14           HB2      PRO  14   6.660  -1.524   4.385
  111    HB3  PRO  14           HB3      PRO  14   8.246  -0.795   4.111
  112    HG2  PRO  14           HG2      PRO  14   6.784  -2.824   2.480
  113    HG3  PRO  14           HG3      PRO  14   7.714  -1.415   1.946
  114    HD2  PRO  14           HD2      PRO  14   8.695  -3.918   1.883
  115    HD3  PRO  14           HD3      PRO  14   9.718  -2.499   2.161
  116    H    SER  15           H        SER  15   7.030  -2.408   6.981
  117    HA   SER  15           HA       SER  15   5.822  -5.027   7.142
  118    HB2  SER  15           HB2      SER  15   5.580  -2.656   8.995
  119    HB3  SER  15           HB3      SER  15   5.314  -4.360   9.377
  120    HG   SER  15           HG       SER  15   7.542  -4.678   8.777
  121    H    GLU  16           H        GLU  16   3.413  -4.970   7.832
  122    HA   GLU  16           HA       GLU  16   1.815  -4.020   5.778
  123    HB2  GLU  16           HB2      GLU  16   1.207  -5.896   7.244
  124    HB3  GLU  16           HB3      GLU  16   1.010  -4.791   8.594
  125    HG2  GLU  16           HG2      GLU  16  -0.875  -3.738   7.448
  126    HG3  GLU  16           HG3      GLU  16  -0.658  -4.828   6.083
  127    H    GLY  17           H        GLY  17   2.278  -2.662   9.028
  128    HA2  GLY  17           HA2      GLY  17   0.511  -0.491   8.768
  129    HA3  GLY  17           HA3      GLY  17   1.868  -0.566   9.883
  130    H    GLU  18           H        GLU  18   3.930  -0.789   8.019
  131    HA   GLU  18           HA       GLU  18   4.450   1.891   7.317
  132    HB2  GLU  18           HB2      GLU  18   5.745  -0.632   6.266
  133    HB3  GLU  18           HB3      GLU  18   6.363   0.985   5.988
  134    HG2  GLU  18           HG2      GLU  18   6.144  -0.465   8.605
  135    HG3  GLU  18           HG3      GLU  18   7.614  -0.019   7.739
  136    H    CYS  19           H        CYS  19   3.675  -0.907   5.307
  137    HA   CYS  19           HA       CYS  19   3.478   0.434   2.892
  138    HB2  CYS  19           HB2      CYS  19   2.173  -2.083   3.888
  139    HB3  CYS  19           HB3      CYS  19   1.976  -1.512   2.240
  140    H    LYS  20           H        LYS  20   0.998  -0.215   5.346
  141    HA   LYS  20           HA       LYS  20  -1.151   0.765   3.836
  142    HB2  LYS  20           HB2      LYS  20  -1.133  -0.629   6.029
  143    HB3  LYS  20           HB3      LYS  20  -1.056   0.932   6.836
  144    HG2  LYS  20           HG2      LYS  20  -3.129   1.604   5.756
  145    HG3  LYS  20           HG3      LYS  20  -3.201   0.056   4.921
  146    HD2  LYS  20           HD2      LYS  20  -3.253  -1.060   7.158
  147    HD3  LYS  20           HD3      LYS  20  -3.388   0.544   7.888
  148    HE2  LYS  20           HE2      LYS  20  -5.385   0.906   6.382
  149    HE3  LYS  20           HE3      LYS  20  -5.289  -0.792   5.991
  150    HZ1  LYS  20           HZ1      LYS  20  -6.895  -0.345   7.758
  151    HZ2  LYS  20           HZ2      LYS  20  -5.660   0.247   8.743
  152    HZ3  LYS  20           HZ3      LYS  20  -5.667  -1.368   8.300
  153    H    LYS  21           H        LYS  21   1.091   2.348   6.015
  154    HA   LYS  21           HA       LYS  21  -0.119   4.902   6.009
  155    HB2  LYS  21           HB2      LYS  21   1.575   4.253   7.644
  156    HB3  LYS  21           HB3      LYS  21   2.776   4.132   6.370
  157    HG2  LYS  21           HG2      LYS  21   2.645   6.530   5.990
  158    HG3  LYS  21           HG3      LYS  21   1.368   6.673   7.199
  159    HD2  LYS  21           HD2      LYS  21   3.493   7.351   8.158
  160    HD3  LYS  21           HD3      LYS  21   2.935   5.866   8.925
  161    HE2  LYS  21           HE2      LYS  21   5.311   5.711   8.492
  162    HE3  LYS  21           HE3      LYS  21   4.461   4.571   7.462
  163    HZ1  LYS  21           HZ1      LYS  21   5.561   7.212   6.634
  164    HZ2  LYS  21           HZ2      LYS  21   4.684   6.212   5.616
  165    HZ3  LYS  21           HZ3      LYS  21   6.157   5.705   6.222
  166    H    ALA  22           H        ALA  22   2.395   3.447   3.984
  167    HA   ALA  22           HA       ALA  22   2.898   5.716   2.399
  168    HB1  ALA  22           HB1      ALA  22   3.976   4.150   0.854
  169    HB2  ALA  22           HB2      ALA  22   3.239   2.800   1.715
  170    HB3  ALA  22           HB3      ALA  22   4.427   3.819   2.526
  171    H    CYS  23           H        CYS  23   0.738   2.953   1.929
  172    HA   CYS  23           HA       CYS  23  -0.322   3.677  -0.554
  173    HB2  CYS  23           HB2      CYS  23  -1.649   2.203   1.720
  174    HB3  CYS  23           HB3      CYS  23  -2.247   2.260   0.066
  175    H    ALA  24           H        ALA  24  -1.265   4.578   2.709
  176    HA   ALA  24           HA       ALA  24  -3.548   6.066   2.026
  177    HB1  ALA  24           HB1      ALA  24  -2.996   5.319   4.299
  178    HB2  ALA  24           HB2      ALA  24  -3.282   7.059   4.227
  179    HB3  ALA  24           HB3      ALA  24  -1.633   6.436   4.324
  180    H    ASP  25           H        ASP  25  -0.255   7.011   2.751
  181    HA   ASP  25           HA       ASP  25  -0.298   9.734   2.386
  182    HB2  ASP  25           HB2      ASP  25   1.560   8.467   3.331
  183    HB3  ASP  25           HB3      ASP  25   1.903   7.771   1.756
  184    H    ALA  26           H        ALA  26   0.387   7.267  -0.049
  185    HA   ALA  26           HA       ALA  26   0.822   9.186  -2.132
  186    HB1  ALA  26           HB1      ALA  26   0.538   6.201  -2.325
  187    HB2  ALA  26           HB2      ALA  26   2.042   7.069  -2.027
  188    HB3  ALA  26           HB3      ALA  26   1.192   7.277  -3.559
  189    H    PHE  27           H        PHE  27  -2.054   7.819  -0.875
  190    HA   PHE  27           HA       PHE  27  -3.311   8.351  -3.471
  191    HB2  PHE  27           HB2      PHE  27  -3.863   6.059  -1.629
  192    HB3  PHE  27           HB3      PHE  27  -5.065   6.603  -2.793
  193    HD1  PHE  27           HD1      PHE  27  -2.086   4.594  -2.325
  194    HD2  PHE  27           HD2      PHE  27  -4.409   6.717  -5.213
  195    HE1  PHE  27           HE1      PHE  27  -1.058   3.307  -4.112
  196    HE2  PHE  27           HE2      PHE  27  -3.357   5.448  -6.991
  197    HZ   PHE  27           HZ       PHE  27  -1.671   3.725  -6.458
  198    H    ALA  28           H        ALA  28  -4.014   8.163  -0.032
  199    HA   ALA  28           HA       ALA  28  -6.242   9.998  -0.485
  200    HB1  ALA  28           HB1      ALA  28  -7.134   9.206   1.613
  201    HB2  ALA  28           HB2      ALA  28  -5.677   8.258   1.907
  202    HB3  ALA  28           HB3      ALA  28  -6.754   7.830   0.577
  203    H    ASN  29           H        ASN  29  -3.194  10.295  -0.009
  204    HA   ASN  29           HA       ASN  29  -1.770  11.824   0.800
  205    HB2  ASN  29           HB2      ASN  29  -4.302  13.443   1.058
  206    HB3  ASN  29           HB3      ASN  29  -2.705  14.112   1.368
  207   HD21  ASN  29          HD21      ASN  29  -4.940  13.013  -1.047
  208   HD22  ASN  29          HD22      ASN  29  -4.021  13.550  -2.400
  209    H    GLY  30           H        GLY  30  -2.697   9.882   2.626
  210    HA2  GLY  30           HA2      GLY  30  -1.437   9.910   4.779
  211    HA3  GLY  30           HA3      GLY  30  -2.308  11.397   5.126
  212    H    ASP  31           H        ASP  31  -4.769  10.412   3.971
  213    HA   ASP  31           HA       ASP  31  -5.826   9.271   6.316
  214    HB2  ASP  31           HB2      ASP  31  -7.239  10.684   4.983
  215    HB3  ASP  31           HB3      ASP  31  -7.079   9.608   3.600
  216    H    GLN  32           H        GLN  32  -5.525   7.309   6.967
  217    HA   GLN  32           HA       GLN  32  -4.843   5.158   5.154
  218    HB2  GLN  32           HB2      GLN  32  -5.298   5.073   8.136
  219    HB3  GLN  32           HB3      GLN  32  -4.621   3.777   7.166
  220    HG2  GLN  32           HG2      GLN  32  -2.703   5.241   6.632
  221    HG3  GLN  32           HG3      GLN  32  -3.384   6.471   7.697
  222   HE21  GLN  32          HE21      GLN  32  -0.862   5.056   7.893
  223   HE22  GLN  32          HE22      GLN  32  -0.861   4.269   9.430
  224    H    SER  33           H        SER  33  -7.699   6.433   6.292
  225    HA   SER  33           HA       SER  33  -9.225   4.220   6.992
  226    HB2  SER  33           HB2      SER  33 -10.249   6.745   5.733
  227    HB3  SER  33           HB3      SER  33 -11.051   5.708   6.916
  228    HG   SER  33           HG       SER  33  -9.299   7.710   7.233
  229    H    LYS  34           H        LYS  34  -8.488   5.587   3.850
  230    HA   LYS  34           HA       LYS  34 -10.546   4.062   2.489
  231    HB2  LYS  34           HB2      LYS  34  -8.330   5.766   1.356
  232    HB3  LYS  34           HB3      LYS  34  -9.686   5.107   0.448
  233    HG2  LYS  34           HG2      LYS  34 -11.236   6.406   1.783
  234    HG3  LYS  34           HG3      LYS  34  -9.893   7.034   2.737
  235    HD2  LYS  34           HD2      LYS  34  -8.969   8.054   0.682
  236    HD3  LYS  34           HD3      LYS  34 -10.392   7.493  -0.202
  237    HE2  LYS  34           HE2      LYS  34 -10.715   9.793   0.447
  238    HE3  LYS  34           HE3      LYS  34 -11.816   8.753   1.351
  239    HZ1  LYS  34           HZ1      LYS  34 -10.076   8.846   3.205
  240    HZ2  LYS  34           HZ2      LYS  34 -10.958  10.218   2.914
  241    HZ3  LYS  34           HZ3      LYS  34  -9.388  10.130   2.358
  242    H    ILE  35           H        ILE  35  -7.639   3.272   3.710
  243    HA   ILE  35           HA       ILE  35  -7.051   1.335   1.597
  244    HB   ILE  35           HB       ILE  35  -5.314   2.137   3.961
  245   HG12  ILE  35          HG12      ILE  35  -5.546   4.063   2.461
  246   HG13  ILE  35          HG13      ILE  35  -3.920   3.405   2.363
  247   HG21  ILE  35          HG21      ILE  35  -4.660   0.541   1.487
  248   HG22  ILE  35          HG22      ILE  35  -4.846  -0.096   3.117
  249   HG23  ILE  35          HG23      ILE  35  -3.512   0.997   2.744
  250   HD11  ILE  35          HD11      ILE  35  -4.738   4.043   0.170
  251   HD12  ILE  35          HD12      ILE  35  -6.137   2.991   0.369
  252   HD13  ILE  35          HD13      ILE  35  -4.524   2.290   0.257
  253    H    ALA  36           H        ALA  36  -7.890  -0.599   2.013
  254    HA   ALA  36           HA       ALA  36  -8.966  -1.179   4.612
  255    HB1  ALA  36           HB1      ALA  36  -9.720  -3.282   3.595
  256    HB2  ALA  36           HB2      ALA  36  -8.772  -2.915   2.149
  257    HB3  ALA  36           HB3      ALA  36 -10.137  -1.894   2.591
  258    H    LYS  37           H        LYS  37  -6.232  -2.213   2.694
  259    HA   LYS  37           HA       LYS  37  -4.708  -2.906   4.971
  260    HB2  LYS  37           HB2      LYS  37  -5.961  -5.025   4.861
  261    HB3  LYS  37           HB3      LYS  37  -5.624  -5.167   3.141
  262    HG2  LYS  37           HG2      LYS  37  -3.248  -5.472   3.608
  263    HG3  LYS  37           HG3      LYS  37  -3.536  -5.259   5.326
  264    HD2  LYS  37           HD2      LYS  37  -4.731  -7.479   3.666
  265    HD3  LYS  37           HD3      LYS  37  -3.238  -7.632   4.585
  266    HE2  LYS  37           HE2      LYS  37  -5.987  -7.048   5.692
  267    HE3  LYS  37           HE3      LYS  37  -5.089  -8.556   5.849
  268    HZ1  LYS  37           HZ1      LYS  37  -4.836  -7.350   7.858
  269    HZ2  LYS  37           HZ2      LYS  37  -4.504  -5.934   7.051
  270    HZ3  LYS  37           HZ3      LYS  37  -3.346  -7.138   7.064
  271    H    ALA  38           H        ALA  38  -2.509  -3.204   4.353
  272    HA   ALA  38           HA       ALA  38  -1.937  -3.219   1.518
  273    HB1  ALA  38           HB1      ALA  38  -1.848  -0.880   2.199
  274    HB2  ALA  38           HB2      ALA  38  -0.253  -1.501   1.772
  275    HB3  ALA  38           HB3      ALA  38  -0.696  -1.298   3.471
  276    H    GLU  39           H        GLU  39  -0.449  -4.645   1.113
  277    HA   GLU  39           HA       GLU  39   1.083  -5.774   3.372
  278    HB2  GLU  39           HB2      GLU  39  -0.745  -7.264   2.703
  279    HB3  GLU  39           HB3      GLU  39  -0.245  -7.161   1.030
  280    HG2  GLU  39           HG2      GLU  39   0.338  -9.304   2.066
  281    HG3  GLU  39           HG3      GLU  39   1.756  -8.421   1.509
  282    H    ASN  40           H        ASN  40   3.117  -6.839   2.629
  283    HA   ASN  40           HA       ASN  40   4.543  -5.164   0.812
  284    HB2  ASN  40           HB2      ASN  40   5.717  -6.224   2.690
  285    HB3  ASN  40           HB3      ASN  40   5.346  -7.819   2.043
  286   HD21  ASN  40          HD21      ASN  40   7.250  -4.971   1.649
  287   HD22  ASN  40          HD22      ASN  40   8.388  -5.640   0.520
  288    H    PHE  41           H        PHE  41   4.678  -5.326  -1.274
  289    HA   PHE  41           HA       PHE  41   3.374  -7.537  -2.649
  290    HB2  PHE  41           HB2      PHE  41   2.803  -5.253  -3.330
  291    HB3  PHE  41           HB3      PHE  41   4.493  -4.893  -3.590
  292    HD1  PHE  41           HD1      PHE  41   5.503  -5.258  -5.642
  293    HD2  PHE  41           HD2      PHE  41   1.689  -6.982  -4.867
  294    HE1  PHE  41           HE1      PHE  41   5.340  -5.883  -7.974
  295    HE2  PHE  41           HE2      PHE  41   1.500  -7.620  -7.234
  296    HZ   PHE  41           HZ       PHE  41   3.321  -7.072  -8.804
  297    H    LYS  42           H        LYS  42   6.496  -5.912  -2.412
  298    HA   LYS  42           HA       LYS  42   8.004  -8.160  -3.095
  299    HB2  LYS  42           HB2      LYS  42   7.062  -7.586  -5.363
  300    HB3  LYS  42           HB3      LYS  42   7.708  -5.972  -5.208
  301    HG2  LYS  42           HG2      LYS  42   9.018  -7.384  -6.716
  302    HG3  LYS  42           HG3      LYS  42   9.960  -6.823  -5.337
  303    HD2  LYS  42           HD2      LYS  42   9.705  -8.989  -4.257
  304    HD3  LYS  42           HD3      LYS  42   8.657  -9.546  -5.558
  305    HE2  LYS  42           HE2      LYS  42  10.908 -10.443  -5.829
  306    HE3  LYS  42           HE3      LYS  42  10.530  -9.333  -7.138
  307    HZ1  LYS  42           HZ1      LYS  42  11.862  -7.636  -6.043
  308    HZ2  LYS  42           HZ2      LYS  42  12.778  -9.021  -6.268
  309    HZ3  LYS  42           HZ3      LYS  42  12.186  -8.661  -4.744
  310    H    ASP  43           H        ASP  43  10.353  -7.193  -3.437
  311    HA   ASP  43           HA       ASP  43  11.039  -5.624  -1.247
  312    HB2  ASP  43           HB2      ASP  43  12.601  -6.023  -3.810
  313    HB3  ASP  43           HB3      ASP  43  13.260  -5.480  -2.270
  314    H    TYR  44           H        TYR  44  10.764  -3.585  -0.916
  315    HA   TYR  44           HA       TYR  44  10.507  -1.353  -1.146
  316    HB2  TYR  44           HB2      TYR  44  11.714  -1.774  -3.894
  317    HB3  TYR  44           HB3      TYR  44  11.351  -0.201  -3.205
  318    HD1  TYR  44           HD1      TYR  44  13.596  -3.092  -3.089
  319    HD2  TYR  44           HD2      TYR  44  12.725   0.724  -1.451
  320    HE1  TYR  44           HE1      TYR  44  15.824  -3.029  -2.085
  321    HE2  TYR  44           HE2      TYR  44  14.930   0.822  -0.433
  322    HH   TYR  44           HH       TYR  44  16.682  -0.823   0.297
  323    H    TYR  45           H        TYR  45   8.401  -3.333  -2.067
  324    HA   TYR  45           HA       TYR  45   6.671  -1.331  -3.328
  325    HB2  TYR  45           HB2      TYR  45   6.973  -4.177  -4.298
  326    HB3  TYR  45           HB3      TYR  45   5.671  -3.097  -4.777
  327    HD1  TYR  45           HD1      TYR  45   6.309  -0.949  -5.943
  328    HD2  TYR  45           HD2      TYR  45   9.003  -4.182  -5.452
  329    HE1  TYR  45           HE1      TYR  45   7.705  -0.059  -7.759
  330    HE2  TYR  45           HE2      TYR  45  10.400  -3.317  -7.249
  331    HH   TYR  45           HH       TYR  45  10.163  -1.865  -9.201
  332    H    CYS  46           H        CYS  46   4.627  -1.390  -2.760
  333    HA   CYS  46           HA       CYS  46   3.808  -3.459  -0.845
  334    HB2  CYS  46           HB2      CYS  46   3.273  -0.495  -0.630
  335    HB3  CYS  46           HB3      CYS  46   2.522  -1.726   0.377
  336    H    ASN  47           H        ASN  47   1.766  -4.177  -1.013
  337    HA   ASN  47           HA       ASN  47   0.336  -3.423  -3.448
  338    HB2  ASN  47           HB2      ASN  47   0.928  -5.811  -3.125
  339    HB3  ASN  47           HB3      ASN  47   0.043  -5.800  -1.605
  340   HD21  ASN  47          HD21      ASN  47  -1.245  -7.414  -2.321
  341   HD22  ASN  47          HD22      ASN  47  -2.508  -7.187  -3.480
  342    H    CYS  48           H        CYS  48  -1.117  -1.919  -3.084
  343    HA   CYS  48           HA       CYS  48  -2.244  -1.586  -0.439
  344    HB2  CYS  48           HB2      CYS  48  -2.598   0.160  -2.891
  345    HB3  CYS  48           HB3      CYS  48  -2.919   0.521  -1.188
  346    H    HIS  49           H        HIS  49  -4.281  -2.136   0.050
  347    HA   HIS  49           HA       HIS  49  -6.046  -3.006  -2.112
  348    HB2  HIS  49           HB2      HIS  49  -6.276  -3.436   0.894
  349    HB3  HIS  49           HB3      HIS  49  -7.373  -4.077  -0.314
  350    HD1  HIS  49           HD3      HIS  49  -6.951  -6.513  -0.729
  351    HD2  HIS  49           HD2      HIS  49  -3.480  -4.456   0.281
  352    HE1  HIS  49           HE1      HIS  49  -5.149  -8.252  -0.567
  353    H    ILE  50           H        ILE  50  -6.774  -1.122  -2.777
  354    HA   ILE  50           HA       ILE  50  -7.478   0.910  -0.810
  355    HB   ILE  50           HB       ILE  50  -7.510   1.220  -3.818
  356   HG12  ILE  50          HG12      ILE  50  -5.175   1.760  -1.965
  357   HG13  ILE  50          HG13      ILE  50  -5.278   0.375  -3.048
  358   HG21  ILE  50          HG21      ILE  50  -7.156   3.582  -3.234
  359   HG22  ILE  50          HG22      ILE  50  -7.100   3.126  -1.528
  360   HG23  ILE  50          HG23      ILE  50  -8.605   2.945  -2.432
  361   HD11  ILE  50          HD11      ILE  50  -5.232   3.267  -3.877
  362   HD12  ILE  50          HD12      ILE  50  -5.322   1.880  -4.964
  363   HD13  ILE  50          HD13      ILE  50  -3.886   2.134  -3.974
  364    H    ILE  51           H        ILE  51  -9.549   1.501  -0.461
  365    HA   ILE  51           HA       ILE  51 -11.629   0.009  -1.775
  366    HB   ILE  51           HB       ILE  51 -11.909   2.319   0.194
  367   HG12  ILE  51          HG12      ILE  51 -11.931  -0.664   0.764
  368   HG13  ILE  51          HG13      ILE  51 -10.596   0.416   1.142
  369   HG21  ILE  51          HG21      ILE  51 -13.922   1.836  -1.122
  370   HG22  ILE  51          HG22      ILE  51 -14.152   1.360   0.564
  371   HG23  ILE  51          HG23      ILE  51 -13.826   0.136  -0.660
  372   HD11  ILE  51          HD11      ILE  51 -12.039   1.643   2.692
  373   HD12  ILE  51          HD12      ILE  51 -11.936  -0.070   3.111
  374   HD13  ILE  51          HD13      ILE  51 -13.373   0.555   2.303
  375    H    ILE  52           H        ILE  52 -12.011   0.592  -3.747
  376    HA   ILE  52           HA       ILE  52 -11.453   3.260  -4.719
  377    HB   ILE  52           HB       ILE  52 -12.625   0.873  -6.187
  378   HG12  ILE  52          HG12      ILE  52 -10.445   0.276  -5.250
  379   HG13  ILE  52          HG13      ILE  52 -10.355   0.413  -6.998
  380   HG21  ILE  52          HG21      ILE  52 -12.976   2.990  -7.344
  381   HG22  ILE  52          HG22      ILE  52 -11.838   1.966  -8.213
  382   HG23  ILE  52          HG23      ILE  52 -11.245   3.329  -7.263
  383   HD11  ILE  52          HD11      ILE  52  -9.381   2.446  -4.995
  384   HD12  ILE  52          HD12      ILE  52  -9.313   2.626  -6.747
  385   HD13  ILE  52          HD13      ILE  52  -8.383   1.352  -5.954
  386    H    HIS  53           H        HIS  53 -14.217   1.105  -4.373
  387    HA   HIS  53           HA       HIS  53 -15.990   3.409  -4.387
  388    HB2  HIS  53           HB2      HIS  53 -16.452   0.756  -5.808
  389    HB3  HIS  53           HB3      HIS  53 -17.723   1.916  -5.466
  390    HD1  HIS  53           HD3      HIS  53 -17.955   3.876  -7.051
  391    HD2  HIS  53           HD2      HIS  53 -14.591   1.568  -7.780
  392    HE1  HIS  53           HE1      HIS  53 -17.039   4.673  -9.273
  Start of MODEL    8
    1    H1   GLU   1          1HT       GLU   1 -16.416  -2.218  -3.827
    2    H2   GLU   1          2HT       GLU   1 -15.624  -3.387  -2.911
    3    H3   GLU   1          3HT       GLU   1 -16.897  -3.842  -3.935
    4    HA   GLU   1           HA       GLU   1 -14.841  -4.448  -4.879
    5    HB2  GLU   1           HB2      GLU   1 -16.019  -2.010  -6.227
    6    HB3  GLU   1           HB3      GLU   1 -14.843  -3.072  -6.990
    7    HG2  GLU   1           HG2      GLU   1 -16.404  -4.952  -6.663
    8    HG3  GLU   1           HG3      GLU   1 -17.583  -3.808  -6.038
    9    H    GLU   2           H        GLU   2 -12.771  -4.217  -5.022
   10    HA   GLU   2           HA       GLU   2 -11.576  -1.712  -4.015
   11    HB2  GLU   2           HB2      GLU   2 -10.710  -4.526  -3.322
   12    HB3  GLU   2           HB3      GLU   2  -9.868  -3.069  -2.851
   13    HG2  GLU   2           HG2      GLU   2 -11.054  -3.852  -0.949
   14    HG3  GLU   2           HG3      GLU   2 -11.898  -2.427  -1.542
   15    H    THR   3           H        THR   3  -9.335  -1.442  -4.639
   16    HA   THR   3           HA       THR   3  -8.646  -3.027  -6.991
   17    HB   THR   3           HB       THR   3  -9.312  -0.778  -7.741
   18    HG1  THR   3           HG1      THR   3  -7.832  -0.847  -9.145
   19   HG21  THR   3          HG21      THR   3  -8.809   0.495  -5.724
   20   HG22  THR   3          HG22      THR   3  -7.998   1.212  -7.118
   21   HG23  THR   3          HG23      THR   3  -7.080   0.234  -5.971
   22    H    GLU   4           H        GLU   4  -6.637  -3.758  -7.130
   23    HA   GLU   4           HA       GLU   4  -4.941  -3.595  -4.763
   24    HB2  GLU   4           HB2      GLU   4  -4.635  -5.235  -7.268
   25    HB3  GLU   4           HB3      GLU   4  -3.811  -5.448  -5.729
   26    HG2  GLU   4           HG2      GLU   4  -6.772  -5.798  -6.134
   27    HG3  GLU   4           HG3      GLU   4  -5.607  -7.115  -6.196
   28    H    GLU   5           H        GLU   5  -3.560  -1.914  -4.899
   29    HA   GLU   5           HA       GLU   5  -2.360  -1.376  -7.525
   30    HB2  GLU   5           HB2      GLU   5  -3.907   0.385  -6.677
   31    HB3  GLU   5           HB3      GLU   5  -2.833   0.605  -5.306
   32    HG2  GLU   5           HG2      GLU   5  -2.491   2.299  -6.983
   33    HG3  GLU   5           HG3      GLU   5  -1.044   1.302  -6.802
   34    HA   PRO   6           HA       PRO   6   1.293  -2.468  -5.061
   35    HB2  PRO   6           HB2      PRO   6   2.608  -2.757  -7.639
   36    HB3  PRO   6           HB3      PRO   6   2.308  -3.987  -6.411
   37    HG2  PRO   6           HG2      PRO   6   1.034  -3.967  -8.816
   38    HG3  PRO   6           HG3      PRO   6   0.298  -4.614  -7.340
   39    HD2  PRO   6           HD2      PRO   6  -0.126  -1.957  -8.660
   40    HD3  PRO   6           HD3      PRO   6  -1.307  -3.055  -7.906
   41    H    ILE   7           H        ILE   7   2.145  -0.726  -4.267
   42    HA   ILE   7           HA       ILE   7   3.133   1.443  -6.000
   43    HB   ILE   7           HB       ILE   7   3.116   2.883  -4.009
   44   HG12  ILE   7          HG12      ILE   7   2.213   0.515  -2.389
   45   HG13  ILE   7          HG13      ILE   7   3.917   0.942  -2.505
   46   HG21  ILE   7          HG21      ILE   7   0.905   2.803  -3.342
   47   HG22  ILE   7          HG22      ILE   7   0.666   1.250  -4.170
   48   HG23  ILE   7          HG23      ILE   7   1.074   2.707  -5.100
   49   HD11  ILE   7          HD11      ILE   7   3.426   3.126  -1.634
   50   HD12  ILE   7          HD12      ILE   7   2.924   1.846  -0.513
   51   HD13  ILE   7          HD13      ILE   7   1.717   2.701  -1.502
   52    H    ARG   8           H        ARG   8   5.172   2.446  -5.136
   53    HA   ARG   8           HA       ARG   8   7.072   0.324  -4.470
   54    HB2  ARG   8           HB2      ARG   8   7.648   3.164  -5.353
   55    HB3  ARG   8           HB3      ARG   8   8.769   1.803  -5.244
   56    HG2  ARG   8           HG2      ARG   8   7.661   0.654  -6.979
   57    HG3  ARG   8           HG3      ARG   8   6.446   1.925  -7.108
   58    HD2  ARG   8           HD2      ARG   8   8.240   3.513  -7.680
   59    HD3  ARG   8           HD3      ARG   8   9.392   2.175  -7.608
   60    HE   ARG   8           HE       ARG   8   7.124   1.913  -9.385
   61   HH11  ARG   8          HH11      ARG   8  10.573   2.623  -9.024
   62   HH12  ARG   8          HH12      ARG   8  10.951   2.304 -10.647
   63   HH21  ARG   8          HH21      ARG   8   7.645   1.509 -11.614
   64   HH22  ARG   8          HH22      ARG   8   9.238   1.691 -12.171
   65    H    HIS   9           H        HIS   9   8.379   0.522  -2.693
   66    HA   HIS   9           HA       HIS   9   7.706   2.648  -0.785
   67    HB2  HIS   9           HB2      HIS   9   6.779   0.341  -0.229
   68    HB3  HIS   9           HB3      HIS   9   8.442  -0.212  -0.098
   69    HD1  HIS   9           HD3      HIS   9   9.378  -0.096   2.227
   70    HD2  HIS   9           HD2      HIS   9   6.209   2.515   1.627
   71    HE1  HIS   9           HE1      HIS   9   8.898   1.027   4.488
   72    H    ALA  10           H        ALA  10   9.526   3.417   0.407
   73    HA   ALA  10           HA       ALA  10  11.997   3.117  -1.041
   74    HB1  ALA  10           HB1      ALA  10  12.844   4.902   0.284
   75    HB2  ALA  10           HB2      ALA  10  11.475   4.768   1.393
   76    HB3  ALA  10           HB3      ALA  10  11.214   5.316  -0.268
   77    H    LYS  11           H        LYS  11  10.726   1.574   1.701
   78    HA   LYS  11           HA       LYS  11  13.417   0.854   2.598
   79    HB2  LYS  11           HB2      LYS  11  10.735   0.582   3.994
   80    HB3  LYS  11           HB3      LYS  11  12.264   0.027   4.657
   81    HG2  LYS  11           HG2      LYS  11  13.097   2.238   4.884
   82    HG3  LYS  11           HG3      LYS  11  11.792   2.904   3.909
   83    HD2  LYS  11           HD2      LYS  11  11.497   3.382   6.305
   84    HD3  LYS  11           HD3      LYS  11  10.187   2.394   5.678
   85    HE2  LYS  11           HE2      LYS  11  11.192   0.414   6.654
   86    HE3  LYS  11           HE3      LYS  11  12.567   1.362   7.222
   87    HZ1  LYS  11           HZ1      LYS  11  10.849   0.930   8.954
   88    HZ2  LYS  11           HZ2      LYS  11   9.750   1.865   8.073
   89    HZ3  LYS  11           HZ3      LYS  11  11.141   2.560   8.705
   90    H    LYS  12           H        LYS  12  14.034  -1.219   2.452
   91    HA   LYS  12           HA       LYS  12  13.230  -2.683   0.305
   92    HB2  LYS  12           HB2      LYS  12  15.398  -2.972   1.355
   93    HB3  LYS  12           HB3      LYS  12  14.646  -3.742   2.747
   94    HG2  LYS  12           HG2      LYS  12  13.862  -5.569   1.294
   95    HG3  LYS  12           HG3      LYS  12  14.653  -4.798  -0.077
   96    HD2  LYS  12           HD2      LYS  12  16.815  -5.025   1.068
   97    HD3  LYS  12           HD3      LYS  12  16.002  -5.828   2.413
   98    HE2  LYS  12           HE2      LYS  12  16.019  -6.816  -0.438
   99    HE3  LYS  12           HE3      LYS  12  17.082  -7.409   0.837
  100    HZ1  LYS  12           HZ1      LYS  12  14.096  -7.623   0.857
  101    HZ2  LYS  12           HZ2      LYS  12  15.164  -8.234   2.019
  102    HZ3  LYS  12           HZ3      LYS  12  15.178  -8.857   0.477
  103    H    ASN  13           H        ASN  13  12.338  -3.430   3.636
  104    HA   ASN  13           HA       ASN  13  10.273  -5.132   2.468
  105    HB2  ASN  13           HB2      ASN  13  12.350  -6.504   3.051
  106    HB3  ASN  13           HB3      ASN  13  11.941  -6.202   4.739
  107   HD21  ASN  13          HD21      ASN  13  11.099  -7.835   1.832
  108   HD22  ASN  13          HD22      ASN  13   9.878  -8.862   2.487
  109    HA   PRO  14           HA       PRO  14   8.457  -2.809   5.854
  110    HB2  PRO  14           HB2      PRO  14   6.361  -1.925   4.466
  111    HB3  PRO  14           HB3      PRO  14   7.959  -1.178   4.342
  112    HG2  PRO  14           HG2      PRO  14   6.514  -2.919   2.439
  113    HG3  PRO  14           HG3      PRO  14   7.722  -1.670   2.127
  114    HD2  PRO  14           HD2      PRO  14   8.144  -4.461   2.199
  115    HD3  PRO  14           HD3      PRO  14   9.369  -3.188   2.093
  116    H    SER  15           H        SER  15   6.881  -3.338   7.237
  117    HA   SER  15           HA       SER  15   5.133  -5.570   6.676
  118    HB2  SER  15           HB2      SER  15   5.439  -3.832   9.145
  119    HB3  SER  15           HB3      SER  15   4.564  -5.365   9.061
  120    HG   SER  15           HG       SER  15   7.027  -5.703   8.099
  121    H    GLU  16           H        GLU  16   2.736  -5.037   7.682
  122    HA   GLU  16           HA       GLU  16   1.487  -3.441   5.815
  123    HB2  GLU  16           HB2      GLU  16   0.479  -4.332   8.491
  124    HB3  GLU  16           HB3      GLU  16  -0.519  -3.448   7.348
  125    HG2  GLU  16           HG2      GLU  16  -0.081  -5.285   5.702
  126    HG3  GLU  16           HG3      GLU  16   0.686  -6.183   7.013
  127    H    GLY  17           H        GLY  17   2.600  -2.458   8.989
  128    HA2  GLY  17           HA2      GLY  17   1.241   0.003   9.162
  129    HA3  GLY  17           HA3      GLY  17   2.768  -0.356   9.954
  130    H    GLU  18           H        GLU  18   4.343  -0.776   7.702
  131    HA   GLU  18           HA       GLU  18   4.992   1.917   7.014
  132    HB2  GLU  18           HB2      GLU  18   6.051  -0.707   6.001
  133    HB3  GLU  18           HB3      GLU  18   6.740   0.863   5.595
  134    HG2  GLU  18           HG2      GLU  18   6.554  -0.372   8.319
  135    HG3  GLU  18           HG3      GLU  18   8.012  -0.234   7.332
  136    H    CYS  19           H        CYS  19   3.789  -0.882   5.217
  137    HA   CYS  19           HA       CYS  19   3.510   0.396   2.763
  138    HB2  CYS  19           HB2      CYS  19   1.987  -1.912   3.944
  139    HB3  CYS  19           HB3      CYS  19   1.818  -1.386   2.278
  140    H    LYS  20           H        LYS  20   1.211   0.067   5.460
  141    HA   LYS  20           HA       LYS  20  -0.938   1.261   4.188
  142    HB2  LYS  20           HB2      LYS  20  -1.194   0.005   6.286
  143    HB3  LYS  20           HB3      LYS  20  -0.263   1.214   7.140
  144    HG2  LYS  20           HG2      LYS  20  -2.601   1.511   7.651
  145    HG3  LYS  20           HG3      LYS  20  -2.040   2.877   6.693
  146    HD2  LYS  20           HD2      LYS  20  -4.213   2.209   5.899
  147    HD3  LYS  20           HD3      LYS  20  -3.017   1.796   4.674
  148    HE2  LYS  20           HE2      LYS  20  -4.612  -0.010   4.915
  149    HE3  LYS  20           HE3      LYS  20  -3.038  -0.543   5.485
  150    HZ1  LYS  20           HZ1      LYS  20  -3.807  -0.189   7.771
  151    HZ2  LYS  20           HZ2      LYS  20  -4.824  -1.240   6.963
  152    HZ3  LYS  20           HZ3      LYS  20  -5.301   0.337   7.211
  153    H    LYS  21           H        LYS  21   1.681   2.641   6.168
  154    HA   LYS  21           HA       LYS  21   0.743   5.269   6.247
  155    HB2  LYS  21           HB2      LYS  21   2.622   4.384   7.610
  156    HB3  LYS  21           HB3      LYS  21   3.628   4.353   6.168
  157    HG2  LYS  21           HG2      LYS  21   4.162   6.308   7.465
  158    HG3  LYS  21           HG3      LYS  21   3.348   6.810   5.980
  159    HD2  LYS  21           HD2      LYS  21   1.234   7.004   7.221
  160    HD3  LYS  21           HD3      LYS  21   2.069   6.535   8.699
  161    HE2  LYS  21           HE2      LYS  21   1.824   8.925   8.656
  162    HE3  LYS  21           HE3      LYS  21   3.523   8.503   8.447
  163    HZ1  LYS  21           HZ1      LYS  21   2.852  10.250   6.952
  164    HZ2  LYS  21           HZ2      LYS  21   1.649   9.292   6.283
  165    HZ3  LYS  21           HZ3      LYS  21   3.274   8.894   6.051
  166    H    ALA  22           H        ALA  22   2.880   3.657   3.927
  167    HA   ALA  22           HA       ALA  22   3.311   5.897   2.282
  168    HB1  ALA  22           HB1      ALA  22   4.174   4.294   0.657
  169    HB2  ALA  22           HB2      ALA  22   3.478   2.968   1.591
  170    HB3  ALA  22           HB3      ALA  22   4.773   3.947   2.279
  171    H    CYS  23           H        CYS  23   1.105   3.114   1.893
  172    HA   CYS  23           HA       CYS  23  -0.131   3.882  -0.480
  173    HB2  CYS  23           HB2      CYS  23  -1.308   2.373   1.854
  174    HB3  CYS  23           HB3      CYS  23  -2.059   2.485   0.271
  175    H    ALA  24           H        ALA  24  -0.878   4.807   2.836
  176    HA   ALA  24           HA       ALA  24  -3.281   6.157   2.256
  177    HB1  ALA  24           HB1      ALA  24  -2.666   5.428   4.495
  178    HB2  ALA  24           HB2      ALA  24  -2.996   7.161   4.456
  179    HB3  ALA  24           HB3      ALA  24  -1.331   6.579   4.512
  180    H    ASP  25           H        ASP  25  -0.027   7.352   2.939
  181    HA   ASP  25           HA       ASP  25  -0.541  10.068   2.530
  182    HB2  ASP  25           HB2      ASP  25   1.436   9.152   3.702
  183    HB3  ASP  25           HB3      ASP  25   2.076   8.610   2.157
  184    H    ALA  26           H        ALA  26   0.532   7.584   0.265
  185    HA   ALA  26           HA       ALA  26   0.912   9.468  -1.851
  186    HB1  ALA  26           HB1      ALA  26   0.894   6.463  -1.977
  187    HB2  ALA  26           HB2      ALA  26   2.307   7.471  -1.656
  188    HB3  ALA  26           HB3      ALA  26   1.494   7.561  -3.219
  189    H    PHE  27           H        PHE  27  -1.902   7.903  -0.653
  190    HA   PHE  27           HA       PHE  27  -3.107   8.317  -3.304
  191    HB2  PHE  27           HB2      PHE  27  -3.547   6.013  -1.464
  192    HB3  PHE  27           HB3      PHE  27  -4.821   6.501  -2.580
  193    HD1  PHE  27           HD1      PHE  27  -4.235   6.686  -5.012
  194    HD2  PHE  27           HD2      PHE  27  -1.740   4.619  -2.230
  195    HE1  PHE  27           HE1      PHE  27  -3.179   5.478  -6.844
  196    HE2  PHE  27           HE2      PHE  27  -0.729   3.415  -4.059
  197    HZ   PHE  27           HZ       PHE  27  -1.408   3.840  -6.372
  198    H    ALA  28           H        ALA  28  -3.814   8.399   0.119
  199    HA   ALA  28           HA       ALA  28  -6.111  10.102  -0.539
  200    HB1  ALA  28           HB1      ALA  28  -7.121   9.369   1.536
  201    HB2  ALA  28           HB2      ALA  28  -5.696   8.398   1.914
  202    HB3  ALA  28           HB3      ALA  28  -6.717   7.971   0.539
  203    H    ASN  29           H        ASN  29  -3.138  10.458   0.052
  204    HA   ASN  29           HA       ASN  29  -1.745  11.968   0.944
  205    HB2  ASN  29           HB2      ASN  29  -4.292  13.557   0.919
  206    HB3  ASN  29           HB3      ASN  29  -2.816  14.255   1.578
  207   HD21  ASN  29          HD21      ASN  29  -4.340  15.049  -0.771
  208   HD22  ASN  29          HD22      ASN  29  -3.251  14.942  -2.110
  209    H    GLY  30           H        GLY  30  -2.996  10.062   2.764
  210    HA2  GLY  30           HA2      GLY  30  -1.681  10.209   4.961
  211    HA3  GLY  30           HA3      GLY  30  -2.694  11.612   5.244
  212    H    ASP  31           H        ASP  31  -4.973  10.226   3.924
  213    HA   ASP  31           HA       ASP  31  -6.086   9.134   6.303
  214    HB2  ASP  31           HB2      ASP  31  -7.478  10.273   4.604
  215    HB3  ASP  31           HB3      ASP  31  -7.182   8.928   3.506
  216    H    GLN  32           H        GLN  32  -5.901   7.191   7.103
  217    HA   GLN  32           HA       GLN  32  -4.807   5.078   5.427
  218    HB2  GLN  32           HB2      GLN  32  -5.039   5.276   8.429
  219    HB3  GLN  32           HB3      GLN  32  -4.270   3.957   7.554
  220    HG2  GLN  32           HG2      GLN  32  -2.680   5.608   6.598
  221    HG3  GLN  32           HG3      GLN  32  -3.408   6.836   7.618
  222   HE21  GLN  32          HE21      GLN  32  -0.717   5.806   7.526
  223   HE22  GLN  32          HE22      GLN  32  -0.332   5.245   9.115
  224    H    SER  33           H        SER  33  -7.822   6.011   5.987
  225    HA   SER  33           HA       SER  33  -8.860   3.388   6.712
  226    HB2  SER  33           HB2      SER  33  -9.775   5.477   7.801
  227    HB3  SER  33           HB3      SER  33 -10.385   5.972   6.223
  228    HG   SER  33           HG       SER  33 -11.839   4.340   6.261
  229    H    LYS  34           H        LYS  34  -8.637   5.667   4.096
  230    HA   LYS  34           HA       LYS  34 -10.358   4.552   2.191
  231    HB2  LYS  34           HB2      LYS  34  -9.166   6.778   2.143
  232    HB3  LYS  34           HB3      LYS  34  -7.712   5.917   1.684
  233    HG2  LYS  34           HG2      LYS  34  -8.790   6.951  -0.234
  234    HG3  LYS  34           HG3      LYS  34  -8.787   5.192  -0.383
  235    HD2  LYS  34           HD2      LYS  34 -11.073   5.046   0.194
  236    HD3  LYS  34           HD3      LYS  34 -11.111   6.717   0.751
  237    HE2  LYS  34           HE2      LYS  34 -10.674   5.832  -2.100
  238    HE3  LYS  34           HE3      LYS  34 -12.206   6.393  -1.428
  239    HZ1  LYS  34           HZ1      LYS  34 -11.139   8.530  -0.932
  240    HZ2  LYS  34           HZ2      LYS  34 -11.138   8.195  -2.564
  241    HZ3  LYS  34           HZ3      LYS  34  -9.716   8.018  -1.678
  242    H    ILE  35           H        ILE  35  -7.172   3.742   3.180
  243    HA   ILE  35           HA       ILE  35  -6.919   1.601   1.192
  244    HB   ILE  35           HB       ILE  35  -4.912   2.522   3.280
  245   HG12  ILE  35          HG12      ILE  35  -5.349   4.367   1.716
  246   HG13  ILE  35          HG13      ILE  35  -3.730   3.722   1.489
  247   HG21  ILE  35          HG21      ILE  35  -3.272   1.311   1.915
  248   HG22  ILE  35          HG22      ILE  35  -4.560   0.809   0.823
  249   HG23  ILE  35          HG23      ILE  35  -4.555   0.249   2.494
  250   HD11  ILE  35          HD11      ILE  35  -6.125   3.127  -0.227
  251   HD12  ILE  35          HD12      ILE  35  -4.490   2.507  -0.475
  252   HD13  ILE  35          HD13      ILE  35  -4.813   4.238  -0.631
  253    H    ALA  36           H        ALA  36  -7.890  -0.210   1.906
  254    HA   ALA  36           HA       ALA  36  -8.650  -0.605   4.627
  255    HB1  ALA  36           HB1      ALA  36  -9.894  -1.588   2.788
  256    HB2  ALA  36           HB2      ALA  36  -9.371  -2.835   3.924
  257    HB3  ALA  36           HB3      ALA  36  -8.526  -2.624   2.386
  258    H    LYS  37           H        LYS  37  -6.407  -2.381   2.608
  259    HA   LYS  37           HA       LYS  37  -4.687  -2.771   4.908
  260    HB2  LYS  37           HB2      LYS  37  -5.723  -4.894   3.039
  261    HB3  LYS  37           HB3      LYS  37  -4.190  -5.079   3.873
  262    HG2  LYS  37           HG2      LYS  37  -5.270  -5.060   6.007
  263    HG3  LYS  37           HG3      LYS  37  -6.813  -4.614   5.279
  264    HD2  LYS  37           HD2      LYS  37  -6.675  -7.019   5.883
  265    HD3  LYS  37           HD3      LYS  37  -6.972  -6.747   4.172
  266    HE2  LYS  37           HE2      LYS  37  -5.367  -8.537   4.455
  267    HE3  LYS  37           HE3      LYS  37  -4.577  -7.158   3.711
  268    HZ1  LYS  37           HZ1      LYS  37  -3.223  -8.196   5.358
  269    HZ2  LYS  37           HZ2      LYS  37  -4.368  -7.988   6.559
  270    HZ3  LYS  37           HZ3      LYS  37  -3.563  -6.649   5.926
  271    H    ALA  38           H        ALA  38  -2.510  -3.326   4.204
  272    HA   ALA  38           HA       ALA  38  -1.880  -2.956   1.423
  273    HB1  ALA  38           HB1      ALA  38  -1.846  -0.665   2.326
  274    HB2  ALA  38           HB2      ALA  38  -0.226  -1.222   1.925
  275    HB3  ALA  38           HB3      ALA  38  -0.754  -1.191   3.610
  276    H    GLU  39           H        GLU  39  -0.527  -4.543   1.039
  277    HA   GLU  39           HA       GLU  39   1.016  -5.540   3.340
  278    HB2  GLU  39           HB2      GLU  39  -0.242  -7.274   1.211
  279    HB3  GLU  39           HB3      GLU  39   0.680  -7.835   2.600
  280    HG2  GLU  39           HG2      GLU  39  -1.098  -6.772   4.045
  281    HG3  GLU  39           HG3      GLU  39  -2.038  -6.553   2.573
  282    H    ASN  40           H        ASN  40   2.792  -7.025   2.610
  283    HA   ASN  40           HA       ASN  40   4.487  -5.575   0.857
  284    HB2  ASN  40           HB2      ASN  40   5.440  -6.780   2.720
  285    HB3  ASN  40           HB3      ASN  40   4.810  -8.309   2.120
  286   HD21  ASN  40          HD21      ASN  40   7.155  -5.867   1.736
  287   HD22  ASN  40          HD22      ASN  40   8.231  -6.705   0.666
  288    H    PHE  41           H        PHE  41   4.530  -5.664  -1.230
  289    HA   PHE  41           HA       PHE  41   3.201  -7.854  -2.617
  290    HB2  PHE  41           HB2      PHE  41   2.660  -5.594  -3.379
  291    HB3  PHE  41           HB3      PHE  41   4.363  -5.233  -3.607
  292    HD1  PHE  41           HD1      PHE  41   5.538  -5.970  -5.553
  293    HD2  PHE  41           HD2      PHE  41   1.478  -7.077  -4.947
  294    HE1  PHE  41           HE1      PHE  41   5.435  -6.731  -7.842
  295    HE2  PHE  41           HE2      PHE  41   1.346  -7.842  -7.280
  296    HZ   PHE  41           HZ       PHE  41   3.322  -7.675  -8.745
  297    H    LYS  42           H        LYS  42   6.335  -6.250  -2.395
  298    HA   LYS  42           HA       LYS  42   7.810  -8.586  -2.948
  299    HB2  LYS  42           HB2      LYS  42   6.914  -7.765  -5.251
  300    HB3  LYS  42           HB3      LYS  42   7.886  -6.338  -5.004
  301    HG2  LYS  42           HG2      LYS  42   9.008  -7.840  -6.475
  302    HG3  LYS  42           HG3      LYS  42   9.903  -7.744  -4.962
  303    HD2  LYS  42           HD2      LYS  42   9.836 -10.053  -5.627
  304    HD3  LYS  42           HD3      LYS  42   8.738  -9.880  -4.265
  305    HE2  LYS  42           HE2      LYS  42   7.693 -11.265  -5.933
  306    HE3  LYS  42           HE3      LYS  42   6.840  -9.728  -5.882
  307    HZ1  LYS  42           HZ1      LYS  42   7.245 -10.464  -8.159
  308    HZ2  LYS  42           HZ2      LYS  42   8.900 -10.501  -7.877
  309    HZ3  LYS  42           HZ3      LYS  42   8.098  -9.039  -7.879
  310    H    ASP  43           H        ASP  43  10.265  -7.650  -2.971
  311    HA   ASP  43           HA       ASP  43  10.426  -5.808  -0.842
  312    HB2  ASP  43           HB2      ASP  43  12.569  -6.730  -2.762
  313    HB3  ASP  43           HB3      ASP  43  12.887  -5.568  -1.483
  314    H    TYR  44           H        TYR  44  10.566  -3.768  -0.715
  315    HA   TYR  44           HA       TYR  44  10.331  -1.598  -1.184
  316    HB2  TYR  44           HB2      TYR  44  11.639  -2.356  -3.803
  317    HB3  TYR  44           HB3      TYR  44  11.211  -0.706  -3.380
  318    HD1  TYR  44           HD1      TYR  44  13.580  -3.420  -2.869
  319    HD2  TYR  44           HD2      TYR  44  12.379   0.431  -1.545
  320    HE1  TYR  44           HE1      TYR  44  15.740  -3.136  -1.751
  321    HE2  TYR  44           HE2      TYR  44  14.512   0.744  -0.429
  322    HH   TYR  44           HH       TYR  44  17.185  -1.318  -0.954
  323    H    TYR  45           H        TYR  45   8.235  -3.685  -2.027
  324    HA   TYR  45           HA       TYR  45   6.552  -1.741  -3.431
  325    HB2  TYR  45           HB2      TYR  45   6.872  -4.640  -4.189
  326    HB3  TYR  45           HB3      TYR  45   5.522  -3.645  -4.704
  327    HD1  TYR  45           HD1      TYR  45   5.989  -1.651  -6.133
  328    HD2  TYR  45           HD2      TYR  45   8.929  -4.608  -5.357
  329    HE1  TYR  45           HE1      TYR  45   7.249  -0.919  -8.114
  330    HE2  TYR  45           HE2      TYR  45  10.184  -3.896  -7.312
  331    HH   TYR  45           HH       TYR  45   9.655  -2.776  -9.469
  332    H    CYS  46           H        CYS  46   4.496  -1.703  -2.838
  333    HA   CYS  46           HA       CYS  46   3.569  -3.704  -0.902
  334    HB2  CYS  46           HB2      CYS  46   3.222  -0.706  -0.648
  335    HB3  CYS  46           HB3      CYS  46   2.384  -1.894   0.342
  336    H    ASN  47           H        ASN  47   1.538  -4.370  -1.188
  337    HA   ASN  47           HA       ASN  47   0.082  -3.351  -3.526
  338    HB2  ASN  47           HB2      ASN  47   0.425  -5.809  -3.313
  339    HB3  ASN  47           HB3      ASN  47  -0.424  -5.777  -1.774
  340   HD21  ASN  47          HD21      ASN  47  -2.670  -5.639  -1.766
  341   HD22  ASN  47          HD22      ASN  47  -3.618  -5.840  -3.175
  342    H    CYS  48           H        CYS  48  -1.140  -1.692  -3.082
  343    HA   CYS  48           HA       CYS  48  -2.303  -1.382  -0.452
  344    HB2  CYS  48           HB2      CYS  48  -2.582   0.441  -2.866
  345    HB3  CYS  48           HB3      CYS  48  -2.878   0.799  -1.163
  346    H    HIS  49           H        HIS  49  -4.410  -1.740  -0.032
  347    HA   HIS  49           HA       HIS  49  -6.051  -2.736  -2.236
  348    HB2  HIS  49           HB2      HIS  49  -6.410  -3.137   0.768
  349    HB3  HIS  49           HB3      HIS  49  -7.364  -3.894  -0.495
  350    HD1  HIS  49           HD3      HIS  49  -6.564  -6.251  -1.162
  351    HD2  HIS  49           HD2      HIS  49  -3.607  -4.007   0.696
  352    HE1  HIS  49           HE1      HIS  49  -4.660  -7.830  -0.731
  353    H    ILE  50           H        ILE  50  -6.872  -0.895  -2.962
  354    HA   ILE  50           HA       ILE  50  -7.631   1.186  -1.076
  355    HB   ILE  50           HB       ILE  50  -7.811   1.362  -4.092
  356   HG12  ILE  50          HG12      ILE  50  -5.420   2.046  -2.353
  357   HG13  ILE  50          HG13      ILE  50  -5.509   0.656  -3.425
  358   HG21  ILE  50          HG21      ILE  50  -7.541   3.763  -3.615
  359   HG22  ILE  50          HG22      ILE  50  -7.404   3.364  -1.896
  360   HG23  ILE  50          HG23      ILE  50  -8.933   3.086  -2.739
  361   HD11  ILE  50          HD11      ILE  50  -4.221   2.464  -4.412
  362   HD12  ILE  50          HD12      ILE  50  -5.602   3.549  -4.259
  363   HD13  ILE  50          HD13      ILE  50  -5.687   2.161  -5.344
  364    H    ILE  51           H        ILE  51  -9.678   1.635  -0.555
  365    HA   ILE  51           HA       ILE  51 -11.739  -0.118  -1.498
  366    HB   ILE  51           HB       ILE  51 -11.895   2.212   0.426
  367   HG12  ILE  51          HG12      ILE  51 -10.474   0.431   1.296
  368   HG13  ILE  51          HG13      ILE  51 -11.995   0.479   2.178
  369   HG21  ILE  51          HG21      ILE  51 -14.078   1.742  -0.574
  370   HG22  ILE  51          HG22      ILE  51 -14.064   1.257   1.121
  371   HG23  ILE  51          HG23      ILE  51 -13.921   0.038  -0.143
  372   HD11  ILE  51          HD11      ILE  51 -11.145  -1.493   0.090
  373   HD12  ILE  51          HD12      ILE  51 -12.791  -1.355   0.685
  374   HD13  ILE  51          HD13      ILE  51 -11.505  -1.807   1.794
  375    H    ILE  52           H        ILE  52 -12.501   0.239  -3.405
  376    HA   ILE  52           HA       ILE  52 -13.029   2.918  -4.395
  377    HB   ILE  52           HB       ILE  52 -13.505   0.172  -5.610
  378   HG12  ILE  52          HG12      ILE  52 -11.132   0.631  -5.370
  379   HG13  ILE  52          HG13      ILE  52 -11.582   0.674  -7.067
  380   HG21  ILE  52          HG21      ILE  52 -15.066   1.709  -6.574
  381   HG22  ILE  52          HG22      ILE  52 -13.812   1.340  -7.762
  382   HG23  ILE  52          HG23      ILE  52 -13.784   2.874  -6.890
  383   HD11  ILE  52          HD11      ILE  52 -11.089   3.062  -5.292
  384   HD12  ILE  52          HD12      ILE  52 -11.595   3.130  -6.978
  385   HD13  ILE  52          HD13      ILE  52 -10.023   2.450  -6.558
  386    H    HIS  53           H        HIS  53 -14.490   0.222  -2.948
  387    HA   HIS  53           HA       HIS  53 -16.424  -0.265  -2.002
  388    HB2  HIS  53           HB2      HIS  53 -16.362   2.082  -1.077
  389    HB3  HIS  53           HB3      HIS  53 -17.285   2.607  -2.480
  390    HD1  HIS  53           HD3      HIS  53 -19.841   1.912  -2.538
  391    HD2  HIS  53           HD2      HIS  53 -17.778   0.740   0.870
  392    HE1  HIS  53           HE1      HIS  53 -21.600   1.246  -0.871
  Start of MODEL    9
    1    H1   GLU   1          1HT       GLU   1 -15.253  -0.915  -2.152
    2    H2   GLU   1          2HT       GLU   1 -14.561  -2.208  -1.373
    3    H3   GLU   1          3HT       GLU   1 -16.073  -2.415  -2.107
    4    HA   GLU   1           HA       GLU   1 -14.419  -3.493  -3.337
    5    HB2  GLU   1           HB2      GLU   1 -15.143  -0.886  -4.625
    6    HB3  GLU   1           HB3      GLU   1 -14.266  -2.163  -5.445
    7    HG2  GLU   1           HG2      GLU   1 -17.061  -2.319  -4.356
    8    HG3  GLU   1           HG3      GLU   1 -16.462  -2.336  -6.034
    9    H    GLU   2           H        GLU   2 -12.551  -3.866  -3.303
   10    HA   GLU   2           HA       GLU   2 -10.582  -1.746  -2.813
   11    HB2  GLU   2           HB2      GLU   2 -10.571  -4.582  -1.769
   12    HB3  GLU   2           HB3      GLU   2  -9.216  -3.479  -1.635
   13    HG2  GLU   2           HG2      GLU   2 -10.300  -3.470   0.459
   14    HG3  GLU   2           HG3      GLU   2 -10.702  -1.953  -0.337
   15    H    THR   3           H        THR   3  -9.235  -1.464  -4.361
   16    HA   THR   3           HA       THR   3  -8.744  -3.649  -6.243
   17    HB   THR   3           HB       THR   3  -8.395  -0.669  -6.650
   18    HG1  THR   3           HG1      THR   3 -10.563  -1.933  -6.342
   19   HG21  THR   3          HG21      THR   3  -7.028  -2.099  -8.164
   20   HG22  THR   3          HG22      THR   3  -8.313  -1.270  -9.042
   21   HG23  THR   3          HG23      THR   3  -8.487  -2.974  -8.629
   22    H    GLU   4           H        GLU   4  -6.674  -4.197  -6.765
   23    HA   GLU   4           HA       GLU   4  -4.692  -3.853  -4.733
   24    HB2  GLU   4           HB2      GLU   4  -4.354  -5.087  -7.447
   25    HB3  GLU   4           HB3      GLU   4  -3.488  -5.452  -5.962
   26    HG2  GLU   4           HG2      GLU   4  -6.411  -6.038  -6.407
   27    HG3  GLU   4           HG3      GLU   4  -5.125  -7.196  -6.698
   28    H    GLU   5           H        GLU   5  -2.916  -2.543  -4.885
   29    HA   GLU   5           HA       GLU   5  -2.116  -1.462  -7.471
   30    HB2  GLU   5           HB2      GLU   5  -3.716   0.140  -6.439
   31    HB3  GLU   5           HB3      GLU   5  -2.633   0.275  -5.065
   32    HG2  GLU   5           HG2      GLU   5  -2.310   2.145  -6.475
   33    HG3  GLU   5           HG3      GLU   5  -0.881   1.115  -6.603
   34    HA   PRO   6           HA       PRO   6   1.640  -2.514  -5.094
   35    HB2  PRO   6           HB2      PRO   6   2.923  -2.486  -7.714
   36    HB3  PRO   6           HB3      PRO   6   2.796  -3.811  -6.553
   37    HG2  PRO   6           HG2      PRO   6   1.446  -3.811  -8.910
   38    HG3  PRO   6           HG3      PRO   6   0.815  -4.581  -7.444
   39    HD2  PRO   6           HD2      PRO   6   0.098  -1.937  -8.654
   40    HD3  PRO   6           HD3      PRO   6  -0.945  -3.159  -7.895
   41    H    ILE   7           H        ILE   7   2.351  -0.758  -4.159
   42    HA   ILE   7           HA       ILE   7   3.216   1.587  -5.743
   43    HB   ILE   7           HB       ILE   7   2.963   2.947  -3.708
   44   HG12  ILE   7          HG12      ILE   7   2.139   0.496  -2.192
   45   HG13  ILE   7          HG13      ILE   7   3.844   0.937  -2.268
   46   HG21  ILE   7          HG21      ILE   7   0.704   2.629  -3.158
   47   HG22  ILE   7          HG22      ILE   7   0.674   1.102  -4.055
   48   HG23  ILE   7          HG23      ILE   7   0.983   2.626  -4.904
   49   HD11  ILE   7          HD11      ILE   7   2.810   1.772  -0.264
   50   HD12  ILE   7          HD12      ILE   7   1.610   2.642  -1.245
   51   HD13  ILE   7          HD13      ILE   7   3.322   3.085  -1.331
   52    H    ARG   8           H        ARG   8   5.112   2.713  -4.697
   53    HA   ARG   8           HA       ARG   8   7.257   0.765  -4.224
   54    HB2  ARG   8           HB2      ARG   8   7.417   3.761  -4.603
   55    HB3  ARG   8           HB3      ARG   8   8.728   2.593  -4.662
   56    HG2  ARG   8           HG2      ARG   8   8.056   1.762  -6.730
   57    HG3  ARG   8           HG3      ARG   8   6.473   2.549  -6.623
   58    HD2  ARG   8           HD2      ARG   8   9.135   3.949  -6.811
   59    HD3  ARG   8           HD3      ARG   8   7.989   3.761  -8.136
   60    HE   ARG   8           HE       ARG   8   6.575   4.916  -6.089
   61   HH11  ARG   8          HH11      ARG   8   9.428   5.838  -7.973
   62   HH12  ARG   8          HH12      ARG   8   9.131   7.496  -7.868
   63   HH21  ARG   8          HH21      ARG   8   6.211   7.216  -5.887
   64   HH22  ARG   8          HH22      ARG   8   7.254   8.311  -6.662
   65    H    HIS   9           H        HIS   9   8.457   0.859  -2.290
   66    HA   HIS   9           HA       HIS   9   7.894   3.039  -0.442
   67    HB2  HIS   9           HB2      HIS   9   6.508   0.932   0.177
   68    HB3  HIS   9           HB3      HIS   9   8.053   0.186   0.574
   69    HD1  HIS   9           HD3      HIS   9   8.948   0.681   2.952
   70    HD2  HIS   9           HD2      HIS   9   5.894   3.221   1.773
   71    HE1  HIS   9           HE1      HIS   9   8.414   2.106   4.961
   72    H    ALA  10           H        ALA  10   9.659   3.331   1.068
   73    HA   ALA  10           HA       ALA  10  12.153   2.880  -0.280
   74    HB1  ALA  10           HB1      ALA  10  11.606   5.028   0.731
   75    HB2  ALA  10           HB2      ALA  10  13.103   4.344   1.374
   76    HB3  ALA  10           HB3      ALA  10  11.621   4.271   2.327
   77    H    LYS  11           H        LYS  11  10.732   0.578   1.304
   78    HA   LYS  11           HA       LYS  11  13.148  -0.182   2.787
   79    HB2  LYS  11           HB2      LYS  11  10.331  -0.985   3.562
   80    HB3  LYS  11           HB3      LYS  11  11.809  -1.332   4.432
   81    HG2  LYS  11           HG2      LYS  11  10.635   1.408   4.047
   82    HG3  LYS  11           HG3      LYS  11  10.437   0.417   5.484
   83    HD2  LYS  11           HD2      LYS  11  12.866   0.487   5.847
   84    HD3  LYS  11           HD3      LYS  11  13.047   1.468   4.391
   85    HE2  LYS  11           HE2      LYS  11  13.069   2.868   6.374
   86    HE3  LYS  11           HE3      LYS  11  11.654   3.205   5.380
   87    HZ1  LYS  11           HZ1      LYS  11  11.739   1.625   7.894
   88    HZ2  LYS  11           HZ2      LYS  11  10.355   1.745   6.959
   89    HZ3  LYS  11           HZ3      LYS  11  11.013   3.125   7.670
   90    H    LYS  12           H        LYS  12  13.739  -2.303   2.482
   91    HA   LYS  12           HA       LYS  12  13.135  -3.519   0.040
   92    HB2  LYS  12           HB2      LYS  12  15.198  -3.937   1.285
   93    HB3  LYS  12           HB3      LYS  12  14.289  -4.697   2.576
   94    HG2  LYS  12           HG2      LYS  12  13.647  -6.503   1.048
   95    HG3  LYS  12           HG3      LYS  12  14.592  -5.736  -0.235
   96    HD2  LYS  12           HD2      LYS  12  16.617  -5.974   1.078
   97    HD3  LYS  12           HD3      LYS  12  15.699  -6.652   2.420
   98    HE2  LYS  12           HE2      LYS  12  16.833  -8.404   1.157
   99    HE3  LYS  12           HE3      LYS  12  15.085  -8.565   1.037
  100    HZ1  LYS  12           HZ1      LYS  12  16.757  -7.268  -1.052
  101    HZ2  LYS  12           HZ2      LYS  12  15.122  -7.724  -1.171
  102    HZ3  LYS  12           HZ3      LYS  12  16.309  -8.884  -1.057
  103    H    ASN  13           H        ASN  13  12.153  -4.392   3.290
  104    HA   ASN  13           HA       ASN  13   9.665  -5.464   2.244
  105    HB2  ASN  13           HB2      ASN  13  11.503  -6.888   4.190
  106    HB3  ASN  13           HB3      ASN  13   9.799  -7.289   4.029
  107   HD21  ASN  13          HD21      ASN  13   9.100  -8.312   2.161
  108   HD22  ASN  13          HD22      ASN  13  10.184  -9.046   1.033
  109    HA   PRO  14           HA       PRO  14   8.977  -2.531   5.609
  110    HB2  PRO  14           HB2      PRO  14   6.612  -1.655   4.245
  111    HB3  PRO  14           HB3      PRO  14   8.130  -0.787   4.441
  112    HG2  PRO  14           HG2      PRO  14   7.133  -1.779   2.049
  113    HG3  PRO  14           HG3      PRO  14   8.808  -1.304   2.327
  114    HD2  PRO  14           HD2      PRO  14   7.555  -3.982   2.298
  115    HD3  PRO  14           HD3      PRO  14   9.202  -3.499   1.807
  116    H    SER  15           H        SER  15   7.347  -2.450   7.137
  117    HA   SER  15           HA       SER  15   5.830  -4.863   7.354
  118    HB2  SER  15           HB2      SER  15   5.078  -3.823   9.527
  119    HB3  SER  15           HB3      SER  15   6.826  -3.978   9.355
  120    HG   SER  15           HG       SER  15   6.931  -1.798   8.784
  121    H    GLU  16           H        GLU  16   3.458  -4.679   7.981
  122    HA   GLU  16           HA       GLU  16   2.096  -3.686   5.742
  123    HB2  GLU  16           HB2      GLU  16   0.951  -4.621   8.393
  124    HB3  GLU  16           HB3      GLU  16   0.029  -4.356   6.932
  125    HG2  GLU  16           HG2      GLU  16   0.395  -6.723   7.246
  126    HG3  GLU  16           HG3      GLU  16   1.283  -6.181   5.827
  127    H    GLY  17           H        GLY  17   2.545  -2.459   8.984
  128    HA2  GLY  17           HA2      GLY  17   0.751  -0.294   8.918
  129    HA3  GLY  17           HA3      GLY  17   2.218  -0.360   9.890
  130    H    GLU  18           H        GLU  18   4.196  -0.435   8.051
  131    HA   GLU  18           HA       GLU  18   4.561   2.216   7.232
  132    HB2  GLU  18           HB2      GLU  18   5.874  -0.318   6.255
  133    HB3  GLU  18           HB3      GLU  18   6.416   1.294   5.824
  134    HG2  GLU  18           HG2      GLU  18   6.986   1.763   8.097
  135    HG3  GLU  18           HG3      GLU  18   6.290   0.230   8.632
  136    H    CYS  19           H        CYS  19   3.771  -0.676   5.345
  137    HA   CYS  19           HA       CYS  19   3.532   0.564   2.884
  138    HB2  CYS  19           HB2      CYS  19   2.113  -1.906   3.902
  139    HB3  CYS  19           HB3      CYS  19   2.083  -1.365   2.236
  140    H    LYS  20           H        LYS  20   0.948  -0.055   5.302
  141    HA   LYS  20           HA       LYS  20  -1.105   0.993   3.710
  142    HB2  LYS  20           HB2      LYS  20  -1.598  -0.377   5.675
  143    HB3  LYS  20           HB3      LYS  20  -0.984   0.886   6.734
  144    HG2  LYS  20           HG2      LYS  20  -2.762   2.397   5.969
  145    HG3  LYS  20           HG3      LYS  20  -3.385   1.131   4.920
  146    HD2  LYS  20           HD2      LYS  20  -3.193   0.964   7.927
  147    HD3  LYS  20           HD3      LYS  20  -4.653   1.366   7.030
  148    HE2  LYS  20           HE2      LYS  20  -4.566  -0.833   5.929
  149    HE3  LYS  20           HE3      LYS  20  -3.116  -1.226   6.850
  150    HZ1  LYS  20           HZ1      LYS  20  -5.069  -2.173   7.886
  151    HZ2  LYS  20           HZ2      LYS  20  -5.788  -0.651   7.988
  152    HZ3  LYS  20           HZ3      LYS  20  -4.430  -0.970   8.887
  153    H    LYS  21           H        LYS  21   1.037   2.539   6.000
  154    HA   LYS  21           HA       LYS  21  -0.231   5.038   6.043
  155    HB2  LYS  21           HB2      LYS  21   1.454   4.213   7.671
  156    HB3  LYS  21           HB3      LYS  21   2.679   4.390   6.431
  157    HG2  LYS  21           HG2      LYS  21   2.493   6.742   6.439
  158    HG3  LYS  21           HG3      LYS  21   1.020   6.689   7.409
  159    HD2  LYS  21           HD2      LYS  21   2.942   7.317   8.785
  160    HD3  LYS  21           HD3      LYS  21   2.275   5.771   9.296
  161    HE2  LYS  21           HE2      LYS  21   4.058   4.632   7.986
  162    HE3  LYS  21           HE3      LYS  21   4.739   6.217   7.613
  163    HZ1  LYS  21           HZ1      LYS  21   4.431   5.011  10.297
  164    HZ2  LYS  21           HZ2      LYS  21   5.006   6.565  10.019
  165    HZ3  LYS  21           HZ3      LYS  21   5.872   5.223   9.458
  166    H    ALA  22           H        ALA  22   2.336   3.726   3.994
  167    HA   ALA  22           HA       ALA  22   2.702   6.108   2.491
  168    HB1  ALA  22           HB1      ALA  22   3.980   4.713   0.953
  169    HB2  ALA  22           HB2      ALA  22   3.357   3.262   1.744
  170    HB3  ALA  22           HB3      ALA  22   4.406   4.372   2.631
  171    H    CYS  23           H        CYS  23   0.754   3.190   1.999
  172    HA   CYS  23           HA       CYS  23  -0.339   3.768  -0.515
  173    HB2  CYS  23           HB2      CYS  23  -1.709   2.433   1.834
  174    HB3  CYS  23           HB3      CYS  23  -2.267   2.376   0.172
  175    H    ALA  24           H        ALA  24  -1.343   4.706   2.719
  176    HA   ALA  24           HA       ALA  24  -3.675   6.098   2.075
  177    HB1  ALA  24           HB1      ALA  24  -3.057   5.398   4.325
  178    HB2  ALA  24           HB2      ALA  24  -3.395   7.129   4.259
  179    HB3  ALA  24           HB3      ALA  24  -1.727   6.556   4.325
  180    H    ASP  25           H        ASP  25  -0.441   7.300   2.792
  181    HA   ASP  25           HA       ASP  25  -0.796   9.989   2.323
  182    HB2  ASP  25           HB2      ASP  25   1.197   9.138   3.373
  183    HB3  ASP  25           HB3      ASP  25   1.660   8.293   1.905
  184    H    ALA  26           H        ALA  26   0.169   7.525  -0.041
  185    HA   ALA  26           HA       ALA  26   0.430   9.504  -2.107
  186    HB1  ALA  26           HB1      ALA  26   1.107   7.682  -3.535
  187    HB2  ALA  26           HB2      ALA  26   0.590   6.509  -2.323
  188    HB3  ALA  26           HB3      ALA  26   1.942   7.591  -1.985
  189    H    PHE  27           H        PHE  27  -2.308   7.946  -0.884
  190    HA   PHE  27           HA       PHE  27  -3.548   8.311  -3.513
  191    HB2  PHE  27           HB2      PHE  27  -3.968   5.983  -1.667
  192    HB3  PHE  27           HB3      PHE  27  -5.149   6.410  -2.903
  193    HD1  PHE  27           HD1      PHE  27  -2.070   4.593  -2.254
  194    HD2  PHE  27           HD2      PHE  27  -4.306   6.634  -5.290
  195    HE1  PHE  27           HE1      PHE  27  -0.846   3.433  -3.937
  196    HE2  PHE  27           HE2      PHE  27  -3.019   5.468  -6.991
  197    HZ   PHE  27           HZ       PHE  27  -1.263   3.855  -6.324
  198    H    ALA  28           H        ALA  28  -4.320   8.102  -0.078
  199    HA   ALA  28           HA       ALA  28  -6.681   9.756  -0.608
  200    HB1  ALA  28           HB1      ALA  28  -7.004   7.617   0.602
  201    HB2  ALA  28           HB2      ALA  28  -7.501   9.026   1.528
  202    HB3  ALA  28           HB3      ALA  28  -5.968   8.229   1.895
  203    H    ASN  29           H        ASN  29  -3.690  10.329  -0.220
  204    HA   ASN  29           HA       ASN  29  -2.407  12.061   0.397
  205    HB2  ASN  29           HB2      ASN  29  -5.060  13.402   0.962
  206    HB3  ASN  29           HB3      ASN  29  -3.521  14.237   1.099
  207   HD21  ASN  29          HD21      ASN  29  -2.385  14.739  -0.791
  208   HD22  ASN  29          HD22      ASN  29  -3.097  14.645  -2.359
  209    H    GLY  30           H        GLY  30  -3.562  10.090   2.470
  210    HA2  GLY  30           HA2      GLY  30  -1.937  10.231   4.509
  211    HA3  GLY  30           HA3      GLY  30  -2.920  11.640   4.883
  212    H    ASP  31           H        ASP  31  -5.362  10.440   3.900
  213    HA   ASP  31           HA       ASP  31  -6.226   9.178   6.280
  214    HB2  ASP  31           HB2      ASP  31  -7.845  10.397   4.997
  215    HB3  ASP  31           HB3      ASP  31  -7.543   9.405   3.577
  216    H    GLN  32           H        GLN  32  -6.180   7.139   6.899
  217    HA   GLN  32           HA       GLN  32  -5.148   5.178   4.990
  218    HB2  GLN  32           HB2      GLN  32  -5.471   4.834   7.973
  219    HB3  GLN  32           HB3      GLN  32  -4.558   3.810   6.881
  220    HG2  GLN  32           HG2      GLN  32  -3.071   5.791   6.439
  221    HG3  GLN  32           HG3      GLN  32  -3.913   6.610   7.751
  222   HE21  GLN  32          HE21      GLN  32  -1.155   5.968   7.595
  223   HE22  GLN  32          HE22      GLN  32  -0.785   4.907   8.902
  224    H    SER  33           H        SER  33  -8.108   6.191   5.881
  225    HA   SER  33           HA       SER  33  -9.403   3.753   6.624
  226    HB2  SER  33           HB2      SER  33 -10.697   6.216   5.459
  227    HB3  SER  33           HB3      SER  33 -11.395   5.037   6.570
  228    HG   SER  33           HG       SER  33  -9.811   7.212   7.018
  229    H    LYS  34           H        LYS  34  -8.771   5.540   3.725
  230    HA   LYS  34           HA       LYS  34 -10.456   4.005   2.009
  231    HB2  LYS  34           HB2      LYS  34  -9.837   6.344   1.550
  232    HB3  LYS  34           HB3      LYS  34  -8.161   5.866   1.364
  233    HG2  LYS  34           HG2      LYS  34  -8.718   4.593  -0.608
  234    HG3  LYS  34           HG3      LYS  34 -10.429   4.957  -0.390
  235    HD2  LYS  34           HD2      LYS  34 -10.002   7.321  -0.732
  236    HD3  LYS  34           HD3      LYS  34  -8.268   7.014  -0.846
  237    HE2  LYS  34           HE2      LYS  34  -9.248   7.298  -3.048
  238    HE3  LYS  34           HE3      LYS  34  -8.625   5.668  -2.832
  239    HZ1  LYS  34           HZ1      LYS  34 -11.485   6.484  -2.679
  240    HZ2  LYS  34           HZ2      LYS  34 -10.939   4.929  -2.390
  241    HZ3  LYS  34           HZ3      LYS  34 -10.741   5.626  -3.920
  242    H    ILE  35           H        ILE  35  -7.668   3.173   3.539
  243    HA   ILE  35           HA       ILE  35  -6.931   1.289   1.416
  244    HB   ILE  35           HB       ILE  35  -5.189   2.227   3.720
  245   HG12  ILE  35          HG12      ILE  35  -5.504   4.063   2.122
  246   HG13  ILE  35          HG13      ILE  35  -3.859   3.451   2.033
  247   HG21  ILE  35          HG21      ILE  35  -3.370   1.063   2.528
  248   HG22  ILE  35          HG22      ILE  35  -4.537   0.508   1.325
  249   HG23  ILE  35          HG23      ILE  35  -4.670  -0.038   2.989
  250   HD11  ILE  35          HD11      ILE  35  -6.093   2.876   0.093
  251   HD12  ILE  35          HD12      ILE  35  -4.468   2.200  -0.000
  252   HD13  ILE  35          HD13      ILE  35  -4.710   3.940  -0.178
  253    H    ALA  36           H        ALA  36  -7.869  -0.575   1.859
  254    HA   ALA  36           HA       ALA  36  -8.806  -1.207   4.498
  255    HB1  ALA  36           HB1      ALA  36 -10.051  -1.907   2.499
  256    HB2  ALA  36           HB2      ALA  36  -9.611  -3.288   3.504
  257    HB3  ALA  36           HB3      ALA  36  -8.702  -2.941   2.034
  258    H    LYS  37           H        LYS  37  -6.347  -2.487   2.347
  259    HA   LYS  37           HA       LYS  37  -4.905  -3.606   4.627
  260    HB2  LYS  37           HB2      LYS  37  -5.591  -5.094   2.080
  261    HB3  LYS  37           HB3      LYS  37  -4.465  -5.654   3.295
  262    HG2  LYS  37           HG2      LYS  37  -6.228  -5.990   4.868
  263    HG3  LYS  37           HG3      LYS  37  -7.392  -5.182   3.811
  264    HD2  LYS  37           HD2      LYS  37  -7.175  -6.920   2.159
  265    HD3  LYS  37           HD3      LYS  37  -5.886  -7.687   3.078
  266    HE2  LYS  37           HE2      LYS  37  -8.709  -7.340   4.072
  267    HE3  LYS  37           HE3      LYS  37  -8.116  -8.791   3.272
  268    HZ1  LYS  37           HZ1      LYS  37  -7.096  -7.679   5.837
  269    HZ2  LYS  37           HZ2      LYS  37  -6.509  -9.068   5.074
  270    HZ3  LYS  37           HZ3      LYS  37  -8.081  -9.023   5.654
  271    H    ALA  38           H        ALA  38  -2.664  -4.002   4.015
  272    HA   ALA  38           HA       ALA  38  -1.744  -3.186   1.428
  273    HB1  ALA  38           HB1      ALA  38  -1.817  -1.037   2.610
  274    HB2  ALA  38           HB2      ALA  38  -0.153  -1.544   2.321
  275    HB3  ALA  38           HB3      ALA  38  -0.865  -1.726   3.925
  276    H    GLU  39           H        GLU  39  -0.336  -4.641   0.958
  277    HA   GLU  39           HA       GLU  39   0.953  -6.208   3.131
  278    HB2  GLU  39           HB2      GLU  39   0.054  -7.099   0.392
  279    HB3  GLU  39           HB3      GLU  39   0.787  -8.109   1.624
  280    HG2  GLU  39           HG2      GLU  39  -1.845  -6.706   1.992
  281    HG3  GLU  39           HG3      GLU  39  -1.696  -8.329   1.330
  282    H    ASN  40           H        ASN  40   3.057  -7.167   2.423
  283    HA   ASN  40           HA       ASN  40   4.501  -5.419   0.683
  284    HB2  ASN  40           HB2      ASN  40   5.785  -6.380   2.490
  285    HB3  ASN  40           HB3      ASN  40   5.320  -8.012   2.014
  286   HD21  ASN  40          HD21      ASN  40   7.201  -5.223   1.057
  287   HD22  ASN  40          HD22      ASN  40   8.296  -6.063   0.021
  288    H    PHE  41           H        PHE  41   4.723  -5.563  -1.378
  289    HA   PHE  41           HA       PHE  41   3.441  -7.805  -2.711
  290    HB2  PHE  41           HB2      PHE  41   2.762  -5.510  -3.341
  291    HB3  PHE  41           HB3      PHE  41   4.416  -5.160  -3.809
  292    HD1  PHE  41           HD1      PHE  41   5.149  -5.594  -5.991
  293    HD2  PHE  41           HD2      PHE  41   1.537  -7.379  -4.593
  294    HE1  PHE  41           HE1      PHE  41   4.672  -6.409  -8.259
  295    HE2  PHE  41           HE2      PHE  41   1.062  -8.186  -6.861
  296    HZ   PHE  41           HZ       PHE  41   2.628  -7.704  -8.693
  297    H    LYS  42           H        LYS  42   6.504  -6.007  -2.637
  298    HA   LYS  42           HA       LYS  42   7.974  -8.279  -3.505
  299    HB2  LYS  42           HB2      LYS  42   6.861  -7.385  -5.613
  300    HB3  LYS  42           HB3      LYS  42   7.725  -5.887  -5.371
  301    HG2  LYS  42           HG2      LYS  42   9.833  -7.027  -5.705
  302    HG3  LYS  42           HG3      LYS  42   8.975  -8.568  -5.842
  303    HD2  LYS  42           HD2      LYS  42   7.764  -7.700  -7.796
  304    HD3  LYS  42           HD3      LYS  42   8.683  -6.199  -7.681
  305    HE2  LYS  42           HE2      LYS  42   9.626  -7.706  -9.368
  306    HE3  LYS  42           HE3      LYS  42  10.749  -7.412  -8.042
  307    HZ1  LYS  42           HZ1      LYS  42  10.699  -9.753  -8.654
  308    HZ2  LYS  42           HZ2      LYS  42   9.052  -9.850  -8.329
  309    HZ3  LYS  42           HZ3      LYS  42  10.143  -9.547  -7.096
  310    H    ASP  43           H        ASP  43  10.362  -7.292  -3.905
  311    HA   ASP  43           HA       ASP  43  11.145  -5.911  -1.615
  312    HB2  ASP  43           HB2      ASP  43  12.566  -6.120  -4.285
  313    HB3  ASP  43           HB3      ASP  43  13.306  -5.548  -2.798
  314    H    TYR  44           H        TYR  44  10.737  -3.949  -1.087
  315    HA   TYR  44           HA       TYR  44  10.452  -1.728  -1.064
  316    HB2  TYR  44           HB2      TYR  44  11.696  -1.807  -3.825
  317    HB3  TYR  44           HB3      TYR  44  11.275  -0.317  -2.992
  318    HD1  TYR  44           HD1      TYR  44  12.664   0.542  -1.243
  319    HD2  TYR  44           HD2      TYR  44  13.506  -3.248  -2.956
  320    HE1  TYR  44           HE1      TYR  44  14.858   0.549  -0.147
  321    HE2  TYR  44           HE2      TYR  44  15.695  -3.269  -1.868
  322    HH   TYR  44           HH       TYR  44  16.594  -1.132   0.574
  323    H    TYR  45           H        TYR  45   8.436  -3.642  -2.256
  324    HA   TYR  45           HA       TYR  45   6.672  -1.532  -3.288
  325    HB2  TYR  45           HB2      TYR  45   6.953  -4.306  -4.439
  326    HB3  TYR  45           HB3      TYR  45   5.614  -3.228  -4.797
  327    HD1  TYR  45           HD1      TYR  45   6.191  -0.968  -5.839
  328    HD2  TYR  45           HD2      TYR  45   8.908  -4.228  -5.745
  329    HE1  TYR  45           HE1      TYR  45   7.437   0.029  -7.692
  330    HE2  TYR  45           HE2      TYR  45  10.166  -3.248  -7.594
  331    HH   TYR  45           HH       TYR  45   9.746  -0.078  -8.578
  332    H    CYS  46           H        CYS  46   4.670  -1.573  -2.636
  333    HA   CYS  46           HA       CYS  46   3.826  -3.763  -0.864
  334    HB2  CYS  46           HB2      CYS  46   3.239  -0.810  -0.513
  335    HB3  CYS  46           HB3      CYS  46   2.592  -2.113   0.477
  336    H    ASN  47           H        ASN  47   1.726  -4.424  -1.105
  337    HA   ASN  47           HA       ASN  47   0.315  -3.464  -3.510
  338    HB2  ASN  47           HB2      ASN  47   0.670  -5.936  -3.226
  339    HB3  ASN  47           HB3      ASN  47  -0.275  -5.855  -1.742
  340   HD21  ASN  47          HD21      ASN  47  -1.928  -7.112  -2.416
  341   HD22  ASN  47          HD22      ASN  47  -3.066  -6.670  -3.637
  342    H    CYS  48           H        CYS  48  -0.995  -1.874  -3.091
  343    HA   CYS  48           HA       CYS  48  -2.185  -1.639  -0.462
  344    HB2  CYS  48           HB2      CYS  48  -2.352   0.254  -2.820
  345    HB3  CYS  48           HB3      CYS  48  -2.810   0.534  -1.137
  346    H    HIS  49           H        HIS  49  -4.297  -1.898  -0.112
  347    HA   HIS  49           HA       HIS  49  -5.908  -2.763  -2.387
  348    HB2  HIS  49           HB2      HIS  49  -6.262  -3.333   0.563
  349    HB3  HIS  49           HB3      HIS  49  -7.278  -3.977  -0.727
  350    HD1  HIS  49           HD3      HIS  49  -6.390  -6.135  -1.924
  351    HD2  HIS  49           HD2      HIS  49  -3.618  -4.353   0.591
  352    HE1  HIS  49           HE1      HIS  49  -4.627  -7.844  -1.546
  353    H    ILE  50           H        ILE  50  -6.619  -0.938  -3.018
  354    HA   ILE  50           HA       ILE  50  -7.287   1.155  -1.133
  355    HB   ILE  50           HB       ILE  50  -7.333   1.277  -4.152
  356   HG12  ILE  50          HG12      ILE  50  -5.058   1.995  -2.291
  357   HG13  ILE  50          HG13      ILE  50  -5.128   0.505  -3.222
  358   HG21  ILE  50          HG21      ILE  50  -7.017   3.342  -1.987
  359   HG22  ILE  50          HG22      ILE  50  -8.486   3.085  -2.932
  360   HG23  ILE  50          HG23      ILE  50  -7.015   3.685  -3.719
  361   HD11  ILE  50          HD11      ILE  50  -5.065   3.291  -4.352
  362   HD12  ILE  50          HD12      ILE  50  -5.120   1.778  -5.273
  363   HD13  ILE  50          HD13      ILE  50  -3.719   2.149  -4.278
  364    H    ILE  51           H        ILE  51  -9.262   1.536  -0.524
  365    HA   ILE  51           HA       ILE  51 -11.506   0.172  -1.691
  366    HB   ILE  51           HB       ILE  51 -11.479   2.337   0.452
  367   HG12  ILE  51          HG12      ILE  51 -11.533  -0.661   0.843
  368   HG13  ILE  51          HG13      ILE  51 -10.105   0.344   1.106
  369   HG21  ILE  51          HG21      ILE  51 -13.654   1.988  -0.586
  370   HG22  ILE  51          HG22      ILE  51 -13.662   1.378   1.071
  371   HG23  ILE  51          HG23      ILE  51 -13.537   0.257  -0.280
  372   HD11  ILE  51          HD11      ILE  51 -11.320   1.514   2.891
  373   HD12  ILE  51          HD12      ILE  51 -11.208  -0.219   3.195
  374   HD13  ILE  51          HD13      ILE  51 -12.716   0.477   2.603
  375    H    ILE  52           H        ILE  52 -11.985   0.965  -3.626
  376    HA   ILE  52           HA       ILE  52 -11.880   3.823  -4.157
  377    HB   ILE  52           HB       ILE  52 -12.758   1.553  -5.986
  378   HG12  ILE  52          HG12      ILE  52 -10.099   2.990  -5.741
  379   HG13  ILE  52          HG13      ILE  52 -10.426   1.318  -5.318
  380   HG21  ILE  52          HG21      ILE  52 -13.677   3.716  -6.672
  381   HG22  ILE  52          HG22      ILE  52 -12.444   3.166  -7.806
  382   HG23  ILE  52          HG23      ILE  52 -12.061   4.425  -6.634
  383   HD11  ILE  52          HD11      ILE  52 -10.544   2.490  -8.086
  384   HD12  ILE  52          HD12      ILE  52 -10.851   0.806  -7.660
  385   HD13  ILE  52          HD13      ILE  52  -9.245   1.494  -7.428
  386    H    HIS  53           H        HIS  53 -14.117   1.356  -3.457
  387    HA   HIS  53           HA       HIS  53 -16.256   3.322  -3.290
  388    HB2  HIS  53           HB2      HIS  53 -16.676   1.892  -5.297
  389    HB3  HIS  53           HB3      HIS  53 -16.539   0.461  -4.288
  390    HD1  HIS  53           HD3      HIS  53 -18.950   3.111  -5.306
  391    HD2  HIS  53           HD2      HIS  53 -18.719   0.011  -2.553
  392    HE1  HIS  53           HE1      HIS  53 -21.299   2.728  -4.498
  Start of MODEL   10
    1    H1   GLU   1          1HT       GLU   1 -14.995  -2.193  -1.331
    2    H2   GLU   1          2HT       GLU   1 -16.388  -2.644  -2.117
    3    H3   GLU   1          3HT       GLU   1 -15.577  -1.259  -2.604
    4    HA   GLU   1           HA       GLU   1 -14.613  -4.081  -2.644
    5    HB2  GLU   1           HB2      GLU   1 -15.301  -2.301  -4.986
    6    HB3  GLU   1           HB3      GLU   1 -14.693  -3.951  -5.099
    7    HG2  GLU   1           HG2      GLU   1 -17.307  -3.040  -3.959
    8    HG3  GLU   1           HG3      GLU   1 -17.063  -3.997  -5.424
    9    H    GLU   2           H        GLU   2 -12.603  -4.405  -3.882
   10    HA   GLU   2           HA       GLU   2 -10.708  -2.330  -2.986
   11    HB2  GLU   2           HB2      GLU   2 -10.433  -5.310  -3.156
   12    HB3  GLU   2           HB3      GLU   2  -9.112  -4.216  -2.789
   13    HG2  GLU   2           HG2      GLU   2 -10.124  -3.565  -0.742
   14    HG3  GLU   2           HG3      GLU   2 -11.625  -4.395  -1.155
   15    H    THR   3           H        THR   3  -9.013  -1.781  -4.211
   16    HA   THR   3           HA       THR   3  -8.492  -3.171  -6.741
   17    HB   THR   3           HB       THR   3  -8.069  -0.216  -6.128
   18    HG1  THR   3           HG1      THR   3 -10.100  -1.646  -7.242
   19   HG21  THR   3          HG21      THR   3  -6.346  -1.132  -7.639
   20   HG22  THR   3          HG22      THR   3  -7.415  -0.022  -8.495
   21   HG23  THR   3          HG23      THR   3  -7.610  -1.761  -8.695
   22    H    GLU   4           H        GLU   4  -6.546  -4.080  -6.716
   23    HA   GLU   4           HA       GLU   4  -4.767  -3.443  -4.517
   24    HB2  GLU   4           HB2      GLU   4  -4.728  -5.667  -6.551
   25    HB3  GLU   4           HB3      GLU   4  -3.501  -5.433  -5.312
   26    HG2  GLU   4           HG2      GLU   4  -5.180  -5.734  -3.577
   27    HG3  GLU   4           HG3      GLU   4  -6.421  -5.952  -4.811
   28    H    GLU   5           H        GLU   5  -2.957  -2.391  -4.758
   29    HA   GLU   5           HA       GLU   5  -2.034  -1.732  -7.470
   30    HB2  GLU   5           HB2      GLU   5  -3.581   0.005  -6.580
   31    HB3  GLU   5           HB3      GLU   5  -2.479   0.242  -5.237
   32    HG2  GLU   5           HG2      GLU   5  -2.108   1.964  -6.811
   33    HG3  GLU   5           HG3      GLU   5  -0.725   0.870  -6.879
   34    HA   PRO   6           HA       PRO   6   1.766  -2.480  -5.050
   35    HB2  PRO   6           HB2      PRO   6   3.177  -2.527  -7.558
   36    HB3  PRO   6           HB3      PRO   6   2.887  -3.863  -6.443
   37    HG2  PRO   6           HG2      PRO   6   1.744  -3.688  -8.941
   38    HG3  PRO   6           HG3      PRO   6   1.035  -4.586  -7.589
   39    HD2  PRO   6           HD2      PRO   6   0.340  -1.875  -8.644
   40    HD3  PRO   6           HD3      PRO   6  -0.715  -3.160  -8.010
   41    H    ILE   7           H        ILE   7   2.368  -0.634  -4.194
   42    HA   ILE   7           HA       ILE   7   3.120   1.647  -5.917
   43    HB   ILE   7           HB       ILE   7   2.855   3.110  -3.984
   44   HG12  ILE   7          HG12      ILE   7   2.104   0.735  -2.307
   45   HG13  ILE   7          HG13      ILE   7   3.788   1.247  -2.415
   46   HG21  ILE   7          HG21      ILE   7   0.586   2.752  -3.415
   47   HG22  ILE   7          HG22      ILE   7   0.613   1.173  -4.216
   48   HG23  ILE   7          HG23      ILE   7   0.873   2.652  -5.155
   49   HD11  ILE   7          HD11      ILE   7   1.479   2.911  -1.498
   50   HD12  ILE   7          HD12      ILE   7   3.169   3.425  -1.626
   51   HD13  ILE   7          HD13      ILE   7   2.717   2.160  -0.473
   52    H    ARG   8           H        ARG   8   4.960   2.949  -5.123
   53    HA   ARG   8           HA       ARG   8   7.241   1.279  -4.563
   54    HB2  ARG   8           HB2      ARG   8   7.031   4.285  -4.770
   55    HB3  ARG   8           HB3      ARG   8   8.516   3.365  -4.688
   56    HG2  ARG   8           HG2      ARG   8   7.979   2.353  -6.855
   57    HG3  ARG   8           HG3      ARG   8   6.531   3.371  -6.944
   58    HD2  ARG   8           HD2      ARG   8   8.005   5.347  -6.631
   59    HD3  ARG   8           HD3      ARG   8   9.391   4.278  -6.754
   60    HE   ARG   8           HE       ARG   8   7.837   3.871  -9.002
   61   HH11  ARG   8          HH11      ARG   8   9.727   6.471  -7.553
   62   HH12  ARG   8          HH12      ARG   8  10.081   7.270  -8.994
   63   HH21  ARG   8          HH21      ARG   8   8.281   4.962 -11.048
   64   HH22  ARG   8          HH22      ARG   8   9.216   6.384 -11.057
   65    H    HIS   9           H        HIS   9   8.332   1.171  -2.646
   66    HA   HIS   9           HA       HIS   9   7.624   3.011  -0.492
   67    HB2  HIS   9           HB2      HIS   9   6.444   0.722  -0.277
   68    HB3  HIS   9           HB3      HIS   9   8.052   0.041  -0.055
   69    HD1  HIS   9           HD3      HIS   9   9.374   0.967   2.172
   70    HD2  HIS   9           HD2      HIS   9   5.308   1.749   1.924
   71    HE1  HIS   9           HE1      HIS   9   8.655   1.666   4.472
   72    H    ALA  10           H        ALA  10   9.468   3.479   0.809
   73    HA   ALA  10           HA       ALA  10  11.959   2.905  -0.577
   74    HB1  ALA  10           HB1      ALA  10  11.428   4.783   1.719
   75    HB2  ALA  10           HB2      ALA  10  11.404   5.215   0.007
   76    HB3  ALA  10           HB3      ALA  10  12.906   4.676   0.764
   77    H    LYS  11           H        LYS  11  10.952   0.646   0.794
   78    HA   LYS  11           HA       LYS  11  13.138   0.116   2.596
   79    HB2  LYS  11           HB2      LYS  11  11.170   0.975   3.998
   80    HB3  LYS  11           HB3      LYS  11  10.261  -0.408   3.429
   81    HG2  LYS  11           HG2      LYS  11  11.933  -1.899   4.473
   82    HG3  LYS  11           HG3      LYS  11  12.757  -0.476   5.111
   83    HD2  LYS  11           HD2      LYS  11   9.907  -1.286   5.716
   84    HD3  LYS  11           HD3      LYS  11  11.284  -1.523   6.783
   85    HE2  LYS  11           HE2      LYS  11  10.216   1.160   5.860
   86    HE3  LYS  11           HE3      LYS  11   9.891   0.414   7.416
   87    HZ1  LYS  11           HZ1      LYS  11  12.296   0.535   7.887
   88    HZ2  LYS  11           HZ2      LYS  11  11.579   2.031   7.638
   89    HZ3  LYS  11           HZ3      LYS  11  12.533   1.371   6.431
   90    H    LYS  12           H        LYS  12  13.593  -2.150   2.472
   91    HA   LYS  12           HA       LYS  12  12.813  -3.242  -0.003
   92    HB2  LYS  12           HB2      LYS  12  15.008  -3.655   1.106
   93    HB3  LYS  12           HB3      LYS  12  14.189  -4.702   2.261
   94    HG2  LYS  12           HG2      LYS  12  13.468  -6.136   0.396
   95    HG3  LYS  12           HG3      LYS  12  14.354  -5.107  -0.717
   96    HD2  LYS  12           HD2      LYS  12  15.567  -6.763   1.521
   97    HD3  LYS  12           HD3      LYS  12  15.578  -7.170  -0.184
   98    HE2  LYS  12           HE2      LYS  12  17.714  -6.305   0.177
   99    HE3  LYS  12           HE3      LYS  12  16.841  -4.933  -0.489
  100    HZ1  LYS  12           HZ1      LYS  12  17.365  -5.392   2.403
  101    HZ2  LYS  12           HZ2      LYS  12  16.668  -3.995   1.755
  102    HZ3  LYS  12           HZ3      LYS  12  18.256  -4.390   1.413
  103    H    ASN  13           H        ASN  13  11.969  -4.199   3.309
  104    HA   ASN  13           HA       ASN  13   9.533  -5.400   2.231
  105    HB2  ASN  13           HB2      ASN  13  11.205  -7.232   2.593
  106    HB3  ASN  13           HB3      ASN  13  11.275  -6.784   4.289
  107   HD21  ASN  13          HD21      ASN  13   9.528  -8.414   1.852
  108   HD22  ASN  13          HD22      ASN  13   8.314  -9.099   2.867
  109    HA   PRO  14           HA       PRO  14   8.538  -2.880   5.865
  110    HB2  PRO  14           HB2      PRO  14   6.264  -1.880   4.463
  111    HB3  PRO  14           HB3      PRO  14   7.763  -1.027   4.830
  112    HG2  PRO  14           HG2      PRO  14   6.940  -1.728   2.292
  113    HG3  PRO  14           HG3      PRO  14   8.618  -1.401   2.745
  114    HD2  PRO  14           HD2      PRO  14   7.187  -3.998   2.472
  115    HD3  PRO  14           HD3      PRO  14   8.840  -3.551   1.946
  116    H    SER  15           H        SER  15   6.846  -3.059   7.347
  117    HA   SER  15           HA       SER  15   5.180  -5.393   7.140
  118    HB2  SER  15           HB2      SER  15   5.329  -3.244   9.276
  119    HB3  SER  15           HB3      SER  15   4.612  -4.848   9.452
  120    HG   SER  15           HG       SER  15   6.819  -5.584   8.797
  121    H    GLU  16           H        GLU  16   2.754  -5.011   7.866
  122    HA   GLU  16           HA       GLU  16   1.454  -3.581   5.875
  123    HB2  GLU  16           HB2      GLU  16   0.405  -4.545   8.523
  124    HB3  GLU  16           HB3      GLU  16  -0.616  -3.805   7.303
  125    HG2  GLU  16           HG2      GLU  16   0.058  -5.587   5.736
  126    HG3  GLU  16           HG3      GLU  16   0.944  -6.367   7.045
  127    H    GLY  17           H        GLY  17   2.360  -2.548   9.094
  128    HA2  GLY  17           HA2      GLY  17   0.868  -0.187   9.220
  129    HA3  GLY  17           HA3      GLY  17   2.403  -0.455  10.037
  130    H    GLU  18           H        GLU  18   4.192  -0.661   8.081
  131    HA   GLU  18           HA       GLU  18   4.592   2.002   7.262
  132    HB2  GLU  18           HB2      GLU  18   5.962  -0.478   6.222
  133    HB3  GLU  18           HB3      GLU  18   6.508   1.169   5.963
  134    HG2  GLU  18           HG2      GLU  18   6.441  -0.385   8.521
  135    HG3  GLU  18           HG3      GLU  18   7.835   0.242   7.662
  136    H    CYS  19           H        CYS  19   3.625  -0.883   5.467
  137    HA   CYS  19           HA       CYS  19   3.472   0.362   2.989
  138    HB2  CYS  19           HB2      CYS  19   2.059  -2.074   4.050
  139    HB3  CYS  19           HB3      CYS  19   1.899  -1.533   2.387
  140    H    LYS  20           H        LYS  20   0.857  -0.141   5.408
  141    HA   LYS  20           HA       LYS  20  -1.114   1.057   3.827
  142    HB2  LYS  20           HB2      LYS  20  -1.681  -0.326   5.769
  143    HB3  LYS  20           HB3      LYS  20  -0.980   0.868   6.849
  144    HG2  LYS  20           HG2      LYS  20  -2.680   2.484   6.210
  145    HG3  LYS  20           HG3      LYS  20  -3.366   1.338   5.064
  146    HD2  LYS  20           HD2      LYS  20  -3.189   0.875   8.046
  147    HD3  LYS  20           HD3      LYS  20  -4.617   1.494   7.219
  148    HE2  LYS  20           HE2      LYS  20  -4.714  -0.583   5.885
  149    HE3  LYS  20           HE3      LYS  20  -3.309  -1.191   6.759
  150    HZ1  LYS  20           HZ1      LYS  20  -5.913  -0.488   7.994
  151    HZ2  LYS  20           HZ2      LYS  20  -4.576  -1.110   8.798
  152    HZ3  LYS  20           HZ3      LYS  20  -5.385  -2.053   7.665
  153    H    LYS  21           H        LYS  21   1.175   2.411   6.100
  154    HA   LYS  21           HA       LYS  21   0.215   5.034   6.194
  155    HB2  LYS  21           HB2      LYS  21   1.884   4.186   7.741
  156    HB3  LYS  21           HB3      LYS  21   3.003   3.917   6.421
  157    HG2  LYS  21           HG2      LYS  21   3.334   6.267   6.134
  158    HG3  LYS  21           HG3      LYS  21   2.029   6.641   7.260
  159    HD2  LYS  21           HD2      LYS  21   4.238   6.907   8.324
  160    HD3  LYS  21           HD3      LYS  21   3.288   5.640   9.090
  161    HE2  LYS  21           HE2      LYS  21   4.547   3.949   7.785
  162    HE3  LYS  21           HE3      LYS  21   5.521   5.247   7.094
  163    HZ1  LYS  21           HZ1      LYS  21   5.369   4.613   9.993
  164    HZ2  LYS  21           HZ2      LYS  21   6.405   5.725   9.262
  165    HZ3  LYS  21           HZ3      LYS  21   6.581   4.068   8.953
  166    H    ALA  22           H        ALA  22   2.589   3.550   4.000
  167    HA   ALA  22           HA       ALA  22   3.015   5.886   2.454
  168    HB1  ALA  22           HB1      ALA  22   4.616   4.030   2.522
  169    HB2  ALA  22           HB2      ALA  22   4.137   4.419   0.869
  170    HB3  ALA  22           HB3      ALA  22   3.453   3.009   1.677
  171    H    CYS  23           H        CYS  23   0.896   3.078   2.029
  172    HA   CYS  23           HA       CYS  23  -0.193   3.731  -0.468
  173    HB2  CYS  23           HB2      CYS  23  -1.495   2.310   1.858
  174    HB3  CYS  23           HB3      CYS  23  -2.129   2.338   0.218
  175    H    ALA  24           H        ALA  24  -1.158   4.649   2.785
  176    HA   ALA  24           HA       ALA  24  -3.480   6.077   2.195
  177    HB1  ALA  24           HB1      ALA  24  -2.778   5.389   4.425
  178    HB2  ALA  24           HB2      ALA  24  -3.082   7.128   4.354
  179    HB3  ALA  24           HB3      ALA  24  -1.426   6.515   4.347
  180    H    ASP  25           H        ASP  25  -0.200   7.134   2.766
  181    HA   ASP  25           HA       ASP  25  -0.330   9.830   2.328
  182    HB2  ASP  25           HB2      ASP  25   1.598   8.688   3.242
  183    HB3  ASP  25           HB3      ASP  25   1.870   7.867   1.719
  184    H    ALA  26           H        ALA  26   0.081   7.273  -0.091
  185    HA   ALA  26           HA       ALA  26   0.363   9.237  -2.202
  186    HB1  ALA  26           HB1      ALA  26   0.391   6.235  -2.382
  187    HB2  ALA  26           HB2      ALA  26   1.808   7.274  -2.201
  188    HB3  ALA  26           HB3      ALA  26   0.826   7.366  -3.662
  189    H    PHE  27           H        PHE  27  -2.349   7.701  -0.789
  190    HA   PHE  27           HA       PHE  27  -3.756   8.147  -3.329
  191    HB2  PHE  27           HB2      PHE  27  -4.001   5.698  -1.632
  192    HB3  PHE  27           HB3      PHE  27  -5.275   6.169  -2.755
  193    HD1  PHE  27           HD1      PHE  27  -4.571   6.618  -5.168
  194    HD2  PHE  27           HD2      PHE  27  -2.170   4.405  -2.417
  195    HE1  PHE  27           HE1      PHE  27  -3.366   5.593  -7.034
  196    HE2  PHE  27           HE2      PHE  27  -0.997   3.378  -4.277
  197    HZ   PHE  27           HZ       PHE  27  -1.569   3.974  -6.595
  198    H    ALA  28           H        ALA  28  -3.848   8.606   0.013
  199    HA   ALA  28           HA       ALA  28  -6.444   9.919  -0.326
  200    HB1  ALA  28           HB1      ALA  28  -7.089   9.213   1.906
  201    HB2  ALA  28           HB2      ALA  28  -5.563   8.358   2.096
  202    HB3  ALA  28           HB3      ALA  28  -6.739   7.800   0.911
  203    H    ASN  29           H        ASN  29  -3.504  10.623  -0.290
  204    HA   ASN  29           HA       ASN  29  -2.107  12.208   0.431
  205    HB2  ASN  29           HB2      ASN  29  -4.720  13.543   1.131
  206    HB3  ASN  29           HB3      ASN  29  -3.170  14.343   1.338
  207   HD21  ASN  29          HD21      ASN  29  -2.003  14.914  -0.473
  208   HD22  ASN  29          HD22      ASN  29  -2.681  15.011  -2.042
  209    H    GLY  30           H        GLY  30  -3.030  10.116   2.423
  210    HA2  GLY  30           HA2      GLY  30  -1.411  10.181   4.416
  211    HA3  GLY  30           HA3      GLY  30  -2.337  11.604   4.862
  212    H    ASP  31           H        ASP  31  -4.885  10.354   3.953
  213    HA   ASP  31           HA       ASP  31  -5.494   9.123   6.461
  214    HB2  ASP  31           HB2      ASP  31  -7.272  10.401   5.505
  215    HB3  ASP  31           HB3      ASP  31  -7.218   9.473   4.005
  216    H    GLN  32           H        GLN  32  -5.659   7.106   7.065
  217    HA   GLN  32           HA       GLN  32  -4.690   5.086   5.185
  218    HB2  GLN  32           HB2      GLN  32  -4.996   4.887   8.172
  219    HB3  GLN  32           HB3      GLN  32  -4.090   3.810   7.128
  220    HG2  GLN  32           HG2      GLN  32  -2.532   5.632   6.614
  221    HG3  GLN  32           HG3      GLN  32  -3.439   6.696   7.685
  222   HE21  GLN  32          HE21      GLN  32  -0.700   5.980   7.855
  223   HE22  GLN  32          HE22      GLN  32  -0.469   5.189   9.376
  224    H    SER  33           H        SER  33  -7.664   6.135   5.883
  225    HA   SER  33           HA       SER  33  -8.845   3.616   6.666
  226    HB2  SER  33           HB2      SER  33 -10.177   6.222   5.936
  227    HB3  SER  33           HB3      SER  33 -10.909   4.857   6.786
  228    HG   SER  33           HG       SER  33  -9.251   6.851   7.661
  229    H    LYS  34           H        LYS  34  -8.486   5.641   3.871
  230    HA   LYS  34           HA       LYS  34 -10.305   4.345   2.121
  231    HB2  LYS  34           HB2      LYS  34  -9.336   6.614   1.818
  232    HB3  LYS  34           HB3      LYS  34  -7.788   5.872   1.483
  233    HG2  LYS  34           HG2      LYS  34  -8.710   4.817  -0.512
  234    HG3  LYS  34           HG3      LYS  34 -10.281   5.553  -0.173
  235    HD2  LYS  34           HD2      LYS  34  -9.270   7.767  -0.310
  236    HD3  LYS  34           HD3      LYS  34  -7.707   7.027  -0.659
  237    HE2  LYS  34           HE2      LYS  34  -8.609   6.065  -2.693
  238    HE3  LYS  34           HE3      LYS  34 -10.178   6.796  -2.339
  239    HZ1  LYS  34           HZ1      LYS  34  -7.669   8.331  -2.705
  240    HZ2  LYS  34           HZ2      LYS  34  -9.216   8.966  -2.514
  241    HZ3  LYS  34           HZ3      LYS  34  -8.819   8.128  -3.911
  242    H    ILE  35           H        ILE  35  -7.306   3.452   3.340
  243    HA   ILE  35           HA       ILE  35  -6.852   1.467   1.245
  244    HB   ILE  35           HB       ILE  35  -5.021   2.362   3.499
  245   HG12  ILE  35          HG12      ILE  35  -5.290   4.143   1.849
  246   HG13  ILE  35          HG13      ILE  35  -3.676   3.458   1.742
  247   HG21  ILE  35          HG21      ILE  35  -3.274   1.086   2.345
  248   HG22  ILE  35          HG22      ILE  35  -4.461   0.536   1.164
  249   HG23  ILE  35          HG23      ILE  35  -4.611   0.051   2.852
  250   HD11  ILE  35          HD11      ILE  35  -4.389   2.164  -0.233
  251   HD12  ILE  35          HD12      ILE  35  -4.558   3.903  -0.462
  252   HD13  ILE  35          HD13      ILE  35  -5.982   2.918  -0.129
  253    H    ALA  36           H        ALA  36  -7.924  -0.300   1.700
  254    HA   ALA  36           HA       ALA  36  -8.965  -0.908   4.257
  255    HB1  ALA  36           HB1      ALA  36  -9.746  -2.983   3.236
  256    HB2  ALA  36           HB2      ALA  36  -8.717  -2.692   1.834
  257    HB3  ALA  36           HB3      ALA  36 -10.065  -1.605   2.179
  258    H    LYS  37           H        LYS  37  -6.217  -2.143   2.412
  259    HA   LYS  37           HA       LYS  37  -5.007  -3.140   4.822
  260    HB2  LYS  37           HB2      LYS  37  -6.674  -4.881   3.744
  261    HB3  LYS  37           HB3      LYS  37  -5.415  -5.057   2.542
  262    HG2  LYS  37           HG2      LYS  37  -3.857  -5.818   4.229
  263    HG3  LYS  37           HG3      LYS  37  -5.059  -5.535   5.492
  264    HD2  LYS  37           HD2      LYS  37  -6.566  -7.138   4.261
  265    HD3  LYS  37           HD3      LYS  37  -5.178  -7.545   3.257
  266    HE2  LYS  37           HE2      LYS  37  -5.358  -7.848   6.252
  267    HE3  LYS  37           HE3      LYS  37  -5.489  -9.146   5.076
  268    HZ1  LYS  37           HZ1      LYS  37  -3.085  -7.481   5.617
  269    HZ2  LYS  37           HZ2      LYS  37  -3.189  -8.642   4.383
  270    HZ3  LYS  37           HZ3      LYS  37  -3.316  -9.103   5.989
  271    H    ALA  38           H        ALA  38  -2.698  -3.651   4.290
  272    HA   ALA  38           HA       ALA  38  -1.846  -3.248   1.573
  273    HB1  ALA  38           HB1      ALA  38  -0.941  -1.367   3.748
  274    HB2  ALA  38           HB2      ALA  38  -2.004  -0.949   2.404
  275    HB3  ALA  38           HB3      ALA  38  -0.332  -1.413   2.093
  276    H    GLU  39           H        GLU  39  -0.322  -4.662   1.242
  277    HA   GLU  39           HA       GLU  39   1.360  -5.491   3.525
  278    HB2  GLU  39           HB2      GLU  39   0.031  -7.331   1.531
  279    HB3  GLU  39           HB3      GLU  39   1.304  -7.836   2.631
  280    HG2  GLU  39           HG2      GLU  39  -0.099  -7.264   4.529
  281    HG3  GLU  39           HG3      GLU  39  -1.377  -6.741   3.433
  282    H    ASN  40           H        ASN  40   3.302  -6.804   2.708
  283    HA   ASN  40           HA       ASN  40   4.575  -5.186   0.734
  284    HB2  ASN  40           HB2      ASN  40   5.992  -6.027   2.487
  285    HB3  ASN  40           HB3      ASN  40   5.529  -7.689   2.137
  286   HD21  ASN  40          HD21      ASN  40   7.275  -4.927   0.907
  287   HD22  ASN  40          HD22      ASN  40   8.287  -5.793  -0.178
  288    H    PHE  41           H        PHE  41   4.645  -5.420  -1.336
  289    HA   PHE  41           HA       PHE  41   3.316  -7.721  -2.525
  290    HB2  PHE  41           HB2      PHE  41   2.606  -5.438  -3.191
  291    HB3  PHE  41           HB3      PHE  41   4.240  -5.103  -3.707
  292    HD1  PHE  41           HD1      PHE  41   4.986  -5.645  -5.846
  293    HD2  PHE  41           HD2      PHE  41   1.311  -7.262  -4.431
  294    HE1  PHE  41           HE1      PHE  41   4.511  -6.481  -8.075
  295    HE2  PHE  41           HE2      PHE  41   0.819  -8.107  -6.679
  296    HZ   PHE  41           HZ       PHE  41   2.416  -7.724  -8.514
  297    H    LYS  42           H        LYS  42   6.341  -5.912  -2.609
  298    HA   LYS  42           HA       LYS  42   7.841  -8.140  -3.575
  299    HB2  LYS  42           HB2      LYS  42   6.724  -7.231  -5.643
  300    HB3  LYS  42           HB3      LYS  42   7.442  -5.673  -5.318
  301    HG2  LYS  42           HG2      LYS  42   9.680  -6.717  -5.604
  302    HG3  LYS  42           HG3      LYS  42   8.862  -8.209  -6.081
  303    HD2  LYS  42           HD2      LYS  42   7.734  -6.985  -7.894
  304    HD3  LYS  42           HD3      LYS  42   8.601  -5.522  -7.430
  305    HE2  LYS  42           HE2      LYS  42  10.732  -6.723  -7.863
  306    HE3  LYS  42           HE3      LYS  42   9.794  -8.091  -8.449
  307    HZ1  LYS  42           HZ1      LYS  42  10.485  -6.750 -10.307
  308    HZ2  LYS  42           HZ2      LYS  42   9.861  -5.367  -9.620
  309    HZ3  LYS  42           HZ3      LYS  42   8.815  -6.567 -10.137
  310    H    ASP  43           H        ASP  43  10.160  -7.251  -3.818
  311    HA   ASP  43           HA       ASP  43  11.066  -5.819  -1.637
  312    HB2  ASP  43           HB2      ASP  43  12.304  -6.013  -4.392
  313    HB3  ASP  43           HB3      ASP  43  13.145  -5.502  -2.934
  314    H    TYR  44           H        TYR  44  10.621  -3.797  -1.124
  315    HA   TYR  44           HA       TYR  44  10.418  -1.555  -1.169
  316    HB2  TYR  44           HB2      TYR  44  11.618  -1.793  -3.932
  317    HB3  TYR  44           HB3      TYR  44  11.205  -0.257  -3.190
  318    HD1  TYR  44           HD1      TYR  44  13.471  -3.131  -3.078
  319    HD2  TYR  44           HD2      TYR  44  12.528   0.661  -1.439
  320    HE1  TYR  44           HE1      TYR  44  15.676  -3.061  -2.020
  321    HE2  TYR  44           HE2      TYR  44  14.721   0.767  -0.365
  322    HH   TYR  44           HH       TYR  44  17.232  -1.406  -1.181
  323    H    TYR  45           H        TYR  45   8.320  -3.449  -2.308
  324    HA   TYR  45           HA       TYR  45   6.603  -1.287  -3.273
  325    HB2  TYR  45           HB2      TYR  45   6.815  -4.017  -4.555
  326    HB3  TYR  45           HB3      TYR  45   5.509  -2.895  -4.865
  327    HD1  TYR  45           HD1      TYR  45   8.746  -3.944  -5.885
  328    HD2  TYR  45           HD2      TYR  45   6.179  -0.575  -5.747
  329    HE1  TYR  45           HE1      TYR  45  10.049  -2.894  -7.675
  330    HE2  TYR  45           HE2      TYR  45   7.465   0.501  -7.530
  331    HH   TYR  45           HH       TYR  45   9.818   0.337  -8.454
  332    H    CYS  46           H        CYS  46   4.649  -1.290  -2.551
  333    HA   CYS  46           HA       CYS  46   3.853  -3.522  -0.811
  334    HB2  CYS  46           HB2      CYS  46   3.282  -0.577  -0.430
  335    HB3  CYS  46           HB3      CYS  46   2.514  -1.863   0.494
  336    H    ASN  47           H        ASN  47   1.797  -4.242  -0.915
  337    HA   ASN  47           HA       ASN  47   0.330  -3.531  -3.330
  338    HB2  ASN  47           HB2      ASN  47   0.801  -5.960  -2.762
  339    HB3  ASN  47           HB3      ASN  47  -0.188  -5.737  -1.325
  340   HD21  ASN  47          HD21      ASN  47  -1.689  -7.216  -1.943
  341   HD22  ASN  47          HD22      ASN  47  -2.800  -6.961  -3.233
  342    H    CYS  48           H        CYS  48  -0.949  -1.893  -2.973
  343    HA   CYS  48           HA       CYS  48  -2.167  -1.466  -0.379
  344    HB2  CYS  48           HB2      CYS  48  -2.336   0.231  -2.884
  345    HB3  CYS  48           HB3      CYS  48  -2.770   0.667  -1.230
  346    H    HIS  49           H        HIS  49  -4.298  -1.698  -0.023
  347    HA   HIS  49           HA       HIS  49  -5.898  -2.695  -2.245
  348    HB2  HIS  49           HB2      HIS  49  -6.214  -3.095   0.750
  349    HB3  HIS  49           HB3      HIS  49  -7.359  -3.665  -0.458
  350    HD1  HIS  49           HD3      HIS  49  -7.067  -6.031  -0.974
  351    HD2  HIS  49           HD2      HIS  49  -3.489  -4.289   0.166
  352    HE1  HIS  49           HE1      HIS  49  -5.347  -7.908  -0.952
  353    H    ILE  50           H        ILE  50  -6.614  -0.907  -3.032
  354    HA   ILE  50           HA       ILE  50  -7.381   1.292  -1.300
  355    HB   ILE  50           HB       ILE  50  -7.559   1.262  -4.316
  356   HG12  ILE  50          HG12      ILE  50  -5.116   2.005  -2.681
  357   HG13  ILE  50          HG13      ILE  50  -5.273   0.504  -3.584
  358   HG21  ILE  50          HG21      ILE  50  -8.581   3.126  -3.081
  359   HG22  ILE  50          HG22      ILE  50  -7.152   3.680  -3.979
  360   HG23  ILE  50          HG23      ILE  50  -7.047   3.372  -2.240
  361   HD11  ILE  50          HD11      ILE  50  -5.301   3.278  -4.742
  362   HD12  ILE  50          HD12      ILE  50  -5.460   1.779  -5.656
  363   HD13  ILE  50          HD13      ILE  50  -3.959   2.136  -4.800
  364    H    ILE  51           H        ILE  51  -9.438   1.787  -0.896
  365    HA   ILE  51           HA       ILE  51 -11.503   0.026  -1.770
  366    HB   ILE  51           HB       ILE  51 -11.627   2.593  -0.157
  367   HG12  ILE  51          HG12      ILE  51 -11.748  -0.303   0.725
  368   HG13  ILE  51          HG13      ILE  51 -10.349   0.747   0.888
  369   HG21  ILE  51          HG21      ILE  51 -13.883   1.858   0.500
  370   HG22  ILE  51          HG22      ILE  51 -13.762   0.503  -0.622
  371   HG23  ILE  51          HG23      ILE  51 -13.770   2.156  -1.234
  372   HD11  ILE  51          HD11      ILE  51 -11.549   0.518   2.982
  373   HD12  ILE  51          HD12      ILE  51 -13.015   1.143   2.224
  374   HD13  ILE  51          HD13      ILE  51 -11.602   2.181   2.401
  375    H    ILE  52           H        ILE  52 -12.504   0.197  -3.586
  376    HA   ILE  52           HA       ILE  52 -12.270   2.393  -5.436
  377    HB   ILE  52           HB       ILE  52 -14.363   0.207  -5.486
  378   HG12  ILE  52          HG12      ILE  52 -11.582   0.110  -6.673
  379   HG13  ILE  52          HG13      ILE  52 -12.123  -0.799  -5.271
  380   HG21  ILE  52          HG21      ILE  52 -14.312   0.565  -7.921
  381   HG22  ILE  52          HG22      ILE  52 -13.145   1.867  -7.691
  382   HG23  ILE  52          HG23      ILE  52 -14.775   2.020  -7.036
  383   HD11  ILE  52          HD11      ILE  52 -12.077  -2.192  -7.256
  384   HD12  ILE  52          HD12      ILE  52 -13.179  -1.085  -8.074
  385   HD13  ILE  52          HD13      ILE  52 -13.730  -2.001  -6.670
  386    H    HIS  53           H        HIS  53 -14.867   0.965  -3.551
  387    HA   HIS  53           HA       HIS  53 -16.289   3.358  -3.124
  388    HB2  HIS  53           HB2      HIS  53 -17.009   2.716  -5.445
  389    HB3  HIS  53           HB3      HIS  53 -17.380   1.104  -4.862
  390    HD1  HIS  53           HD3      HIS  53 -18.817   4.482  -5.226
  391    HD2  HIS  53           HD2      HIS  53 -19.661   0.986  -3.162
  392    HE1  HIS  53           HE1      HIS  53 -21.219   4.670  -4.528
  Start of MODEL   11
    1    H1   GLU   1          1HT       GLU   1 -15.851  -4.587  -2.709
    2    H2   GLU   1          2HT       GLU   1 -15.503  -2.958  -2.852
    3    H3   GLU   1          3HT       GLU   1 -14.694  -3.896  -1.698
    4    HA   GLU   1           HA       GLU   1 -13.677  -5.209  -3.410
    5    HB2  GLU   1           HB2      GLU   1 -14.944  -3.146  -5.214
    6    HB3  GLU   1           HB3      GLU   1 -13.734  -4.312  -5.729
    7    HG2  GLU   1           HG2      GLU   1 -15.239  -6.133  -5.158
    8    HG3  GLU   1           HG3      GLU   1 -16.444  -4.961  -4.631
    9    H    GLU   2           H        GLU   2 -11.600  -4.664  -4.009
   10    HA   GLU   2           HA       GLU   2 -10.662  -2.020  -3.051
   11    HB2  GLU   2           HB2      GLU   2  -9.338  -4.710  -2.765
   12    HB3  GLU   2           HB3      GLU   2  -8.736  -3.178  -2.150
   13    HG2  GLU   2           HG2      GLU   2 -10.350  -3.081  -0.479
   14    HG3  GLU   2           HG3      GLU   2 -11.390  -4.258  -1.286
   15    H    THR   3           H        THR   3  -9.136  -1.037  -4.317
   16    HA   THR   3           HA       THR   3  -8.265  -2.257  -6.798
   17    HB   THR   3           HB       THR   3  -7.450   0.403  -5.597
   18    HG1  THR   3           HG1      THR   3  -9.530   0.103  -7.484
   19   HG21  THR   3          HG21      THR   3  -7.102   1.032  -7.944
   20   HG22  THR   3          HG22      THR   3  -7.608  -0.582  -8.446
   21   HG23  THR   3          HG23      THR   3  -6.137  -0.377  -7.505
   22    H    GLU   4           H        GLU   4  -6.505  -3.564  -6.608
   23    HA   GLU   4           HA       GLU   4  -4.706  -3.213  -4.362
   24    HB2  GLU   4           HB2      GLU   4  -4.815  -5.349  -6.488
   25    HB3  GLU   4           HB3      GLU   4  -3.679  -5.333  -5.147
   26    HG2  GLU   4           HG2      GLU   4  -5.525  -5.468  -3.567
   27    HG3  GLU   4           HG3      GLU   4  -6.674  -5.455  -4.903
   28    H    GLU   5           H        GLU   5  -3.554  -1.506  -4.731
   29    HA   GLU   5           HA       GLU   5  -2.182  -1.098  -7.287
   30    HB2  GLU   5           HB2      GLU   5  -2.660   0.684  -4.922
   31    HB3  GLU   5           HB3      GLU   5  -1.621   1.136  -6.257
   32    HG2  GLU   5           HG2      GLU   5  -4.549   0.472  -6.463
   33    HG3  GLU   5           HG3      GLU   5  -3.867   2.098  -6.420
   34    HA   PRO   6           HA       PRO   6   1.551  -2.332  -5.039
   35    HB2  PRO   6           HB2      PRO   6   2.886  -2.405  -7.584
   36    HB3  PRO   6           HB3      PRO   6   2.478  -3.761  -6.535
   37    HG2  PRO   6           HG2      PRO   6   1.313  -3.329  -8.994
   38    HG3  PRO   6           HG3      PRO   6   0.546  -4.229  -7.677
   39    HD2  PRO   6           HD2      PRO   6   0.101  -1.405  -8.552
   40    HD3  PRO   6           HD3      PRO   6  -1.063  -2.618  -7.967
   41    H    ILE   7           H        ILE   7   2.313  -0.579  -4.147
   42    HA   ILE   7           HA       ILE   7   3.181   1.730  -5.781
   43    HB   ILE   7           HB       ILE   7   2.958   3.119  -3.788
   44   HG12  ILE   7          HG12      ILE   7   2.225   0.683  -2.189
   45   HG13  ILE   7          HG13      ILE   7   3.906   1.199  -2.305
   46   HG21  ILE   7          HG21      ILE   7   0.678   1.228  -4.023
   47   HG22  ILE   7          HG22      ILE   7   0.918   2.756  -4.891
   48   HG23  ILE   7          HG23      ILE   7   0.704   2.740  -3.128
   49   HD11  ILE   7          HD11      ILE   7   3.294   3.347  -1.414
   50   HD12  ILE   7          HD12      ILE   7   2.866   2.030  -0.308
   51   HD13  ILE   7          HD13      ILE   7   1.612   2.825  -1.285
   52    H    ARG   8           H        ARG   8   5.131   2.837  -4.924
   53    HA   ARG   8           HA       ARG   8   7.208   0.877  -4.335
   54    HB2  ARG   8           HB2      ARG   8   7.464   3.860  -4.758
   55    HB3  ARG   8           HB3      ARG   8   8.761   2.679  -4.672
   56    HG2  ARG   8           HG2      ARG   8   8.026   1.654  -6.698
   57    HG3  ARG   8           HG3      ARG   8   6.689   2.813  -6.833
   58    HD2  ARG   8           HD2      ARG   8   8.573   3.497  -8.208
   59    HD3  ARG   8           HD3      ARG   8   8.319   4.631  -6.877
   60    HE   ARG   8           HE       ARG   8  10.289   2.486  -6.624
   61   HH11  ARG   8          HH11      ARG   8   9.602   5.960  -6.762
   62   HH12  ARG   8          HH12      ARG   8  11.153   6.435  -6.254
   63   HH21  ARG   8          HH21      ARG   8  12.435   3.133  -5.982
   64   HH22  ARG   8          HH22      ARG   8  12.817   4.777  -5.806
   65    H    HIS   9           H        HIS   9   8.482   0.965  -2.483
   66    HA   HIS   9           HA       HIS   9   7.846   2.941  -0.454
   67    HB2  HIS   9           HB2      HIS   9   6.431   0.888  -0.027
   68    HB3  HIS   9           HB3      HIS   9   7.918  -0.044   0.114
   69    HD1  HIS   9           HD3      HIS   9   8.942  -0.120   2.422
   70    HD2  HIS   9           HD2      HIS   9   6.158   2.912   1.990
   71    HE1  HIS   9           HE1      HIS   9   8.747   0.978   4.685
   72    H    ALA  10           H        ALA  10   9.597   3.093   1.118
   73    HA   ALA  10           HA       ALA  10  12.146   2.783  -0.169
   74    HB1  ALA  10           HB1      ALA  10  11.584   4.812   1.033
   75    HB2  ALA  10           HB2      ALA  10  13.015   4.025   1.718
   76    HB3  ALA  10           HB3      ALA  10  11.459   3.888   2.532
   77    H    LYS  11           H        LYS  11  10.525   0.487   1.372
   78    HA   LYS  11           HA       LYS  11  12.958  -0.614   2.541
   79    HB2  LYS  11           HB2      LYS  11  10.179  -0.784   3.723
   80    HB3  LYS  11           HB3      LYS  11  11.513  -1.801   4.235
   81    HG2  LYS  11           HG2      LYS  11  11.462   1.209   4.406
   82    HG3  LYS  11           HG3      LYS  11  11.130   0.112   5.746
   83    HD2  LYS  11           HD2      LYS  11  13.396  -0.816   5.528
   84    HD3  LYS  11           HD3      LYS  11  13.718   0.297   4.201
   85    HE2  LYS  11           HE2      LYS  11  13.340   2.188   5.723
   86    HE3  LYS  11           HE3      LYS  11  13.072   1.050   7.044
   87    HZ1  LYS  11           HZ1      LYS  11  15.361   0.263   6.765
   88    HZ2  LYS  11           HZ2      LYS  11  15.344   1.934   7.018
   89    HZ3  LYS  11           HZ3      LYS  11  15.575   1.334   5.487
   90    H    LYS  12           H        LYS  12  13.425  -2.558   2.015
   91    HA   LYS  12           HA       LYS  12  12.525  -3.844  -0.249
   92    HB2  LYS  12           HB2      LYS  12  14.678  -4.277   0.719
   93    HB3  LYS  12           HB3      LYS  12  13.961  -4.859   2.203
   94    HG2  LYS  12           HG2      LYS  12  13.061  -6.794   0.953
   95    HG3  LYS  12           HG3      LYS  12  13.935  -6.222  -0.477
   96    HD2  LYS  12           HD2      LYS  12  16.031  -6.376   0.682
   97    HD3  LYS  12           HD3      LYS  12  15.223  -6.808   2.186
   98    HE2  LYS  12           HE2      LYS  12  16.176  -8.780   1.158
   99    HE3  LYS  12           HE3      LYS  12  14.419  -8.878   1.123
  100    HZ1  LYS  12           HZ1      LYS  12  15.460  -9.562  -0.961
  101    HZ2  LYS  12           HZ2      LYS  12  16.093  -8.008  -1.168
  102    HZ3  LYS  12           HZ3      LYS  12  14.427  -8.261  -1.177
  103    H    ASN  13           H        ASN  13  11.860  -4.626   3.108
  104    HA   ASN  13           HA       ASN  13   9.377  -5.940   2.313
  105    HB2  ASN  13           HB2      ASN  13  11.446  -7.168   4.181
  106    HB3  ASN  13           HB3      ASN  13   9.794  -7.729   4.061
  107   HD21  ASN  13          HD21      ASN  13   9.621  -7.431   1.174
  108   HD22  ASN  13          HD22      ASN  13  10.596  -8.683   0.508
  109    HA   PRO  14           HA       PRO  14   8.544  -3.227   5.815
  110    HB2  PRO  14           HB2      PRO  14   6.431  -1.986   4.490
  111    HB3  PRO  14           HB3      PRO  14   8.088  -1.390   4.556
  112    HG2  PRO  14           HG2      PRO  14   6.709  -2.323   2.258
  113    HG3  PRO  14           HG3      PRO  14   8.421  -1.906   2.375
  114    HD2  PRO  14           HD2      PRO  14   7.106  -4.565   2.477
  115    HD3  PRO  14           HD3      PRO  14   8.724  -4.103   1.891
  116    H    SER  15           H        SER  15   6.488  -2.900   7.024
  117    HA   SER  15           HA       SER  15   4.722  -5.178   6.622
  118    HB2  SER  15           HB2      SER  15   6.070  -5.087   8.757
  119    HB3  SER  15           HB3      SER  15   5.209  -3.609   9.172
  120    HG   SER  15           HG       SER  15   4.168  -6.195   8.764
  121    H    GLU  16           H        GLU  16   2.527  -4.435   7.900
  122    HA   GLU  16           HA       GLU  16   1.365  -2.748   5.998
  123    HB2  GLU  16           HB2      GLU  16   0.205  -3.831   8.515
  124    HB3  GLU  16           HB3      GLU  16  -0.696  -2.826   7.392
  125    HG2  GLU  16           HG2      GLU  16   0.035  -4.532   5.627
  126    HG3  GLU  16           HG3      GLU  16   0.386  -5.562   7.020
  127    H    GLY  17           H        GLY  17   2.644  -1.908   9.098
  128    HA2  GLY  17           HA2      GLY  17   1.182   0.489   9.408
  129    HA3  GLY  17           HA3      GLY  17   2.775   0.170  10.097
  130    H    GLU  18           H        GLU  18   4.400  -0.092   8.149
  131    HA   GLU  18           HA       GLU  18   4.854   2.476   7.136
  132    HB2  GLU  18           HB2      GLU  18   6.027  -0.085   6.069
  133    HB3  GLU  18           HB3      GLU  18   6.700   1.522   5.903
  134    HG2  GLU  18           HG2      GLU  18   8.011   0.625   7.555
  135    HG3  GLU  18           HG3      GLU  18   6.776   1.447   8.501
  136    H    CYS  19           H        CYS  19   3.732  -0.510   5.536
  137    HA   CYS  19           HA       CYS  19   3.499   0.674   3.030
  138    HB2  CYS  19           HB2      CYS  19   2.076  -1.773   4.101
  139    HB3  CYS  19           HB3      CYS  19   1.954  -1.209   2.449
  140    H    LYS  20           H        LYS  20   0.882   0.230   5.520
  141    HA   LYS  20           HA       LYS  20  -1.070   1.395   3.894
  142    HB2  LYS  20           HB2      LYS  20  -0.904   1.295   6.900
  143    HB3  LYS  20           HB3      LYS  20  -2.220   2.079   6.065
  144    HG2  LYS  20           HG2      LYS  20  -2.680  -0.185   4.985
  145    HG3  LYS  20           HG3      LYS  20  -1.562  -0.851   6.192
  146    HD2  LYS  20           HD2      LYS  20  -2.880   0.187   7.985
  147    HD3  LYS  20           HD3      LYS  20  -3.974   0.852   6.791
  148    HE2  LYS  20           HE2      LYS  20  -5.025  -1.048   7.779
  149    HE3  LYS  20           HE3      LYS  20  -4.575  -1.473   6.133
  150    HZ1  LYS  20           HZ1      LYS  20  -2.828  -2.864   6.931
  151    HZ2  LYS  20           HZ2      LYS  20  -4.125  -3.164   7.925
  152    HZ3  LYS  20           HZ3      LYS  20  -2.893  -2.167   8.468
  153    H    LYS  21           H        LYS  21   1.246   2.847   6.139
  154    HA   LYS  21           HA       LYS  21   0.261   5.455   6.075
  155    HB2  LYS  21           HB2      LYS  21   1.947   4.802   7.675
  156    HB3  LYS  21           HB3      LYS  21   3.088   4.430   6.395
  157    HG2  LYS  21           HG2      LYS  21   3.665   6.525   7.476
  158    HG3  LYS  21           HG3      LYS  21   3.190   6.808   5.801
  159    HD2  LYS  21           HD2      LYS  21   0.969   7.498   6.572
  160    HD3  LYS  21           HD3      LYS  21   1.471   7.234   8.245
  161    HE2  LYS  21           HE2      LYS  21   3.263   8.906   7.917
  162    HE3  LYS  21           HE3      LYS  21   2.668   9.180   6.286
  163    HZ1  LYS  21           HZ1      LYS  21   1.100   9.691   8.769
  164    HZ2  LYS  21           HZ2      LYS  21   0.592  10.001   7.188
  165    HZ3  LYS  21           HZ3      LYS  21   1.855  10.860   7.829
  166    H    ALA  22           H        ALA  22   2.702   3.903   4.016
  167    HA   ALA  22           HA       ALA  22   3.137   6.128   2.354
  168    HB1  ALA  22           HB1      ALA  22   4.208   4.540   0.832
  169    HB2  ALA  22           HB2      ALA  22   3.506   3.198   1.738
  170    HB3  ALA  22           HB3      ALA  22   4.689   4.257   2.507
  171    H    CYS  23           H        CYS  23   1.026   3.300   2.003
  172    HA   CYS  23           HA       CYS  23  -0.139   3.829  -0.471
  173    HB2  CYS  23           HB2      CYS  23  -1.470   2.660   1.983
  174    HB3  CYS  23           HB3      CYS  23  -2.096   2.566   0.347
  175    H    ALA  24           H        ALA  24  -1.054   4.965   2.729
  176    HA   ALA  24           HA       ALA  24  -3.357   6.359   1.931
  177    HB1  ALA  24           HB1      ALA  24  -3.219   7.391   4.127
  178    HB2  ALA  24           HB2      ALA  24  -1.584   6.757   4.326
  179    HB3  ALA  24           HB3      ALA  24  -2.955   5.650   4.208
  180    H    ASP  25           H        ASP  25  -0.110   7.473   2.797
  181    HA   ASP  25           HA       ASP  25  -0.558  10.192   2.400
  182    HB2  ASP  25           HB2      ASP  25   1.352   9.184   3.635
  183    HB3  ASP  25           HB3      ASP  25   2.065   8.736   2.092
  184    H    ALA  26           H        ALA  26   0.497   7.742   0.109
  185    HA   ALA  26           HA       ALA  26   1.049   9.635  -1.956
  186    HB1  ALA  26           HB1      ALA  26   2.178   7.463  -1.830
  187    HB2  ALA  26           HB2      ALA  26   1.394   7.725  -3.389
  188    HB3  ALA  26           HB3      ALA  26   0.650   6.662  -2.192
  189    H    PHE  27           H        PHE  27  -1.867   8.038  -0.910
  190    HA   PHE  27           HA       PHE  27  -3.068   8.687  -3.515
  191    HB2  PHE  27           HB2      PHE  27  -3.708   6.477  -1.607
  192    HB3  PHE  27           HB3      PHE  27  -4.849   6.987  -2.845
  193    HD1  PHE  27           HD1      PHE  27  -4.075   6.991  -5.225
  194    HD2  PHE  27           HD2      PHE  27  -1.922   4.958  -2.156
  195    HE1  PHE  27           HE1      PHE  27  -2.983   5.612  -6.899
  196    HE2  PHE  27           HE2      PHE  27  -0.861   3.576  -3.822
  197    HZ   PHE  27           HZ       PHE  27  -1.360   3.883  -6.214
  198    H    ALA  28           H        ALA  28  -3.761   8.722  -0.063
  199    HA   ALA  28           HA       ALA  28  -5.941  10.633  -0.582
  200    HB1  ALA  28           HB1      ALA  28  -6.684   8.459   0.340
  201    HB2  ALA  28           HB2      ALA  28  -7.025   9.814   1.409
  202    HB3  ALA  28           HB3      ALA  28  -5.665   8.737   1.756
  203    H    ASN  29           H        ASN  29  -2.947  10.666   0.036
  204    HA   ASN  29           HA       ASN  29  -1.436  12.026   0.936
  205    HB2  ASN  29           HB2      ASN  29  -3.799  13.871   1.293
  206    HB3  ASN  29           HB3      ASN  29  -2.125  14.357   1.525
  207   HD21  ASN  29          HD21      ASN  29  -4.044  15.358  -0.378
  208   HD22  ASN  29          HD22      ASN  29  -3.377  15.067  -1.943
  209    H    GLY  30           H        GLY  30  -2.963  10.208   2.734
  210    HA2  GLY  30           HA2      GLY  30  -1.585  10.066   4.924
  211    HA3  GLY  30           HA3      GLY  30  -2.439  11.557   5.297
  212    H    ASP  31           H        ASP  31  -4.866  10.551   3.917
  213    HA   ASP  31           HA       ASP  31  -6.000   9.299   6.194
  214    HB2  ASP  31           HB2      ASP  31  -7.424  10.704   4.868
  215    HB3  ASP  31           HB3      ASP  31  -7.176   9.681   3.448
  216    H    GLN  32           H        GLN  32  -5.932   7.279   6.782
  217    HA   GLN  32           HA       GLN  32  -5.177   5.243   4.850
  218    HB2  GLN  32           HB2      GLN  32  -5.475   5.040   7.847
  219    HB3  GLN  32           HB3      GLN  32  -4.768   3.834   6.786
  220    HG2  GLN  32           HG2      GLN  32  -2.965   5.398   6.229
  221    HG3  GLN  32           HG3      GLN  32  -3.665   6.584   7.331
  222   HE21  GLN  32          HE21      GLN  32  -1.911   3.689   7.017
  223   HE22  GLN  32          HE22      GLN  32  -1.461   3.491   8.677
  224    H    SER  33           H        SER  33  -8.056   6.533   5.639
  225    HA   SER  33           HA       SER  33  -9.538   4.263   6.510
  226    HB2  SER  33           HB2      SER  33 -10.572   6.767   5.181
  227    HB3  SER  33           HB3      SER  33 -11.467   5.667   6.232
  228    HG   SER  33           HG       SER  33  -9.643   7.641   6.805
  229    H    LYS  34           H        LYS  34  -8.768   5.722   3.440
  230    HA   LYS  34           HA       LYS  34 -10.521   4.049   1.908
  231    HB2  LYS  34           HB2      LYS  34  -8.136   5.669   1.007
  232    HB3  LYS  34           HB3      LYS  34  -9.329   4.933  -0.054
  233    HG2  LYS  34           HG2      LYS  34 -11.068   6.338   0.946
  234    HG3  LYS  34           HG3      LYS  34  -9.851   7.093   1.974
  235    HD2  LYS  34           HD2      LYS  34  -8.668   7.859  -0.050
  236    HD3  LYS  34           HD3      LYS  34  -9.949   7.157  -1.038
  237    HE2  LYS  34           HE2      LYS  34 -11.583   8.622   0.047
  238    HE3  LYS  34           HE3      LYS  34 -10.296   9.328   1.022
  239    HZ1  LYS  34           HZ1      LYS  34 -10.522   9.478  -1.938
  240    HZ2  LYS  34           HZ2      LYS  34  -9.245  10.083  -1.023
  241    HZ3  LYS  34           HZ3      LYS  34 -10.753  10.741  -0.838
  242    H    ILE  35           H        ILE  35  -7.591   3.518   3.427
  243    HA   ILE  35           HA       ILE  35  -6.793   1.395   1.588
  244    HB   ILE  35           HB       ILE  35  -5.370   2.402   4.076
  245   HG12  ILE  35          HG12      ILE  35  -5.444   4.200   2.434
  246   HG13  ILE  35          HG13      ILE  35  -3.812   3.556   2.524
  247   HG21  ILE  35          HG21      ILE  35  -3.409   1.220   3.177
  248   HG22  ILE  35          HG22      ILE  35  -4.391   0.625   1.841
  249   HG23  ILE  35          HG23      ILE  35  -4.754   0.120   3.490
  250   HD11  ILE  35          HD11      ILE  35  -4.416   4.018   0.230
  251   HD12  ILE  35          HD12      ILE  35  -5.848   3.002   0.374
  252   HD13  ILE  35          HD13      ILE  35  -4.245   2.275   0.456
  253    H    ALA  36           H        ALA  36  -7.745  -0.463   1.957
  254    HA   ALA  36           HA       ALA  36  -8.964  -1.049   4.498
  255    HB1  ALA  36           HB1      ALA  36  -8.776  -2.750   2.017
  256    HB2  ALA  36           HB2      ALA  36 -10.093  -1.644   2.412
  257    HB3  ALA  36           HB3      ALA  36  -9.801  -3.065   3.416
  258    H    LYS  37           H        LYS  37  -6.231  -2.269   2.614
  259    HA   LYS  37           HA       LYS  37  -4.986  -3.283   4.989
  260    HB2  LYS  37           HB2      LYS  37  -6.653  -5.098   4.130
  261    HB3  LYS  37           HB3      LYS  37  -5.546  -5.274   2.778
  262    HG2  LYS  37           HG2      LYS  37  -3.750  -5.886   4.325
  263    HG3  LYS  37           HG3      LYS  37  -4.848  -5.687   5.685
  264    HD2  LYS  37           HD2      LYS  37  -4.988  -7.967   5.400
  265    HD3  LYS  37           HD3      LYS  37  -6.282  -7.444   4.337
  266    HE2  LYS  37           HE2      LYS  37  -3.467  -8.082   3.441
  267    HE3  LYS  37           HE3      LYS  37  -4.812  -9.202   3.371
  268    HZ1  LYS  37           HZ1      LYS  37  -4.675  -6.625   1.876
  269    HZ2  LYS  37           HZ2      LYS  37  -5.890  -7.788   1.762
  270    HZ3  LYS  37           HZ3      LYS  37  -4.336  -8.139   1.258
  271    H    ALA  38           H        ALA  38  -2.792  -4.206   4.329
  272    HA   ALA  38           HA       ALA  38  -1.951  -3.427   1.665
  273    HB1  ALA  38           HB1      ALA  38  -0.551  -2.624   4.222
  274    HB2  ALA  38           HB2      ALA  38  -1.389  -1.544   3.102
  275    HB3  ALA  38           HB3      ALA  38   0.071  -2.389   2.586
  276    H    GLU  39           H        GLU  39  -0.106  -4.584   1.011
  277    HA   GLU  39           HA       GLU  39   0.827  -6.766   2.714
  278    HB2  GLU  39           HB2      GLU  39  -0.426  -7.131  -0.015
  279    HB3  GLU  39           HB3      GLU  39   0.587  -8.348   0.743
  280    HG2  GLU  39           HG2      GLU  39  -0.998  -8.565   2.562
  281    HG3  GLU  39           HG3      GLU  39  -1.982  -7.275   1.880
  282    H    ASN  40           H        ASN  40   2.811  -7.675   1.926
  283    HA   ASN  40           HA       ASN  40   4.446  -5.721   0.570
  284    HB2  ASN  40           HB2      ASN  40   5.433  -7.086   2.373
  285    HB3  ASN  40           HB3      ASN  40   5.098  -8.549   1.458
  286   HD21  ASN  40          HD21      ASN  40   6.419  -5.469   0.164
  287   HD22  ASN  40          HD22      ASN  40   7.900  -6.152  -0.332
  288    H    PHE  41           H        PHE  41   4.391  -5.541  -1.560
  289    HA   PHE  41           HA       PHE  41   3.256  -7.673  -3.144
  290    HB2  PHE  41           HB2      PHE  41   2.625  -5.327  -3.611
  291    HB3  PHE  41           HB3      PHE  41   4.300  -4.961  -3.972
  292    HD1  PHE  41           HD1      PHE  41   5.220  -5.353  -6.093
  293    HD2  PHE  41           HD2      PHE  41   1.398  -6.970  -5.117
  294    HE1  PHE  41           HE1      PHE  41   4.924  -6.013  -8.410
  295    HE2  PHE  41           HE2      PHE  41   1.085  -7.631  -7.454
  296    HZ   PHE  41           HZ       PHE  41   2.843  -7.158  -9.115
  297    H    LYS  42           H        LYS  42   6.329  -5.947  -2.910
  298    HA   LYS  42           HA       LYS  42   7.810  -8.139  -3.965
  299    HB2  LYS  42           HB2      LYS  42   6.734  -7.070  -5.992
  300    HB3  LYS  42           HB3      LYS  42   7.528  -5.572  -5.588
  301    HG2  LYS  42           HG2      LYS  42   8.662  -6.655  -7.391
  302    HG3  LYS  42           HG3      LYS  42   9.692  -6.651  -5.968
  303    HD2  LYS  42           HD2      LYS  42   9.235  -8.955  -5.541
  304    HD3  LYS  42           HD3      LYS  42   7.965  -8.987  -6.761
  305    HE2  LYS  42           HE2      LYS  42  10.887  -8.485  -7.337
  306    HE3  LYS  42           HE3      LYS  42  10.083 -10.041  -7.522
  307    HZ1  LYS  42           HZ1      LYS  42   8.642  -9.093  -9.199
  308    HZ2  LYS  42           HZ2      LYS  42  10.236  -8.802  -9.635
  309    HZ3  LYS  42           HZ3      LYS  42   9.310  -7.564  -8.995
  310    H    ASP  43           H        ASP  43  10.190  -7.175  -4.161
  311    HA   ASP  43           HA       ASP  43  10.859  -5.972  -1.725
  312    HB2  ASP  43           HB2      ASP  43  12.486  -6.023  -4.290
  313    HB3  ASP  43           HB3      ASP  43  13.115  -5.696  -2.684
  314    H    TYR  44           H        TYR  44  10.530  -3.969  -1.139
  315    HA   TYR  44           HA       TYR  44  10.381  -1.722  -1.094
  316    HB2  TYR  44           HB2      TYR  44  11.719  -1.854  -3.816
  317    HB3  TYR  44           HB3      TYR  44  11.347  -0.346  -2.987
  318    HD1  TYR  44           HD1      TYR  44  12.622   0.361  -1.087
  319    HD2  TYR  44           HD2      TYR  44  13.473  -3.334  -2.983
  320    HE1  TYR  44           HE1      TYR  44  14.738   0.239   0.141
  321    HE2  TYR  44           HE2      TYR  44  15.587  -3.489  -1.768
  322    HH   TYR  44           HH       TYR  44  16.330  -1.513   0.879
  323    H    TYR  45           H        TYR  45   8.318  -3.510  -2.224
  324    HA   TYR  45           HA       TYR  45   6.629  -1.368  -3.271
  325    HB2  TYR  45           HB2      TYR  45   6.848  -4.139  -4.436
  326    HB3  TYR  45           HB3      TYR  45   5.527  -3.040  -4.785
  327    HD1  TYR  45           HD1      TYR  45   8.871  -4.022  -5.682
  328    HD2  TYR  45           HD2      TYR  45   6.077  -0.845  -5.867
  329    HE1  TYR  45           HE1      TYR  45  10.150  -3.039  -7.515
  330    HE2  TYR  45           HE2      TYR  45   7.349   0.168  -7.726
  331    HH   TYR  45           HH       TYR  45   9.885   0.047  -8.500
  332    H    CYS  46           H        CYS  46   4.681  -1.323  -2.536
  333    HA   CYS  46           HA       CYS  46   3.780  -3.480  -0.733
  334    HB2  CYS  46           HB2      CYS  46   3.265  -0.502  -0.453
  335    HB3  CYS  46           HB3      CYS  46   2.519  -1.748   0.540
  336    H    ASN  47           H        ASN  47   1.742  -4.195  -1.022
  337    HA   ASN  47           HA       ASN  47   0.303  -3.140  -3.334
  338    HB2  ASN  47           HB2      ASN  47   0.738  -5.605  -3.275
  339    HB3  ASN  47           HB3      ASN  47  -0.142  -5.693  -1.753
  340   HD21  ASN  47          HD21      ASN  47  -2.383  -5.696  -1.792
  341   HD22  ASN  47          HD22      ASN  47  -3.260  -5.755  -3.259
  342    H    CYS  48           H        CYS  48  -1.028  -1.654  -2.865
  343    HA   CYS  48           HA       CYS  48  -2.156  -1.403  -0.201
  344    HB2  CYS  48           HB2      CYS  48  -2.344   0.446  -2.578
  345    HB3  CYS  48           HB3      CYS  48  -2.724   0.788  -0.887
  346    H    HIS  49           H        HIS  49  -4.320  -1.612   0.206
  347    HA   HIS  49           HA       HIS  49  -5.957  -2.413  -2.072
  348    HB2  HIS  49           HB2      HIS  49  -6.294  -2.984   0.882
  349    HB3  HIS  49           HB3      HIS  49  -7.444  -3.452  -0.365
  350    HD1  HIS  49           HD3      HIS  49  -7.095  -5.764  -1.289
  351    HD2  HIS  49           HD2      HIS  49  -3.672  -4.158   0.427
  352    HE1  HIS  49           HE1      HIS  49  -5.355  -7.553  -1.418
  353    H    ILE  50           H        ILE  50  -6.611  -0.551  -2.757
  354    HA   ILE  50           HA       ILE  50  -7.614   1.396  -0.833
  355    HB   ILE  50           HB       ILE  50  -7.499   1.792  -3.828
  356   HG12  ILE  50          HG12      ILE  50  -5.248   2.342  -1.870
  357   HG13  ILE  50          HG13      ILE  50  -5.259   1.006  -3.015
  358   HG21  ILE  50          HG21      ILE  50  -7.244   3.587  -1.434
  359   HG22  ILE  50          HG22      ILE  50  -8.708   3.407  -2.411
  360   HG23  ILE  50          HG23      ILE  50  -7.251   4.145  -3.109
  361   HD11  ILE  50          HD11      ILE  50  -3.911   2.834  -3.833
  362   HD12  ILE  50          HD12      ILE  50  -5.285   3.931  -3.698
  363   HD13  ILE  50          HD13      ILE  50  -5.326   2.605  -4.858
  364    H    ILE  51           H        ILE  51  -9.666   1.292  -0.390
  365    HA   ILE  51           HA       ILE  51 -11.476  -0.487  -1.569
  366    HB   ILE  51           HB       ILE  51 -12.098   1.980   0.091
  367   HG12  ILE  51          HG12      ILE  51 -11.723  -0.905   0.933
  368   HG13  ILE  51          HG13      ILE  51 -10.543   0.378   1.171
  369   HG21  ILE  51          HG21      ILE  51 -14.209   0.828   0.646
  370   HG22  ILE  51          HG22      ILE  51 -13.788  -0.471  -0.471
  371   HG23  ILE  51          HG23      ILE  51 -14.087   1.156  -1.083
  372   HD11  ILE  51          HD11      ILE  51 -11.772  -0.108   3.211
  373   HD12  ILE  51          HD12      ILE  51 -13.292   0.263   2.391
  374   HD13  ILE  51          HD13      ILE  51 -12.095   1.533   2.650
  375    H    ILE  52           H        ILE  52 -12.662  -0.382  -3.325
  376    HA   ILE  52           HA       ILE  52 -12.740   2.034  -4.955
  377    HB   ILE  52           HB       ILE  52 -14.159  -0.602  -5.461
  378   HG12  ILE  52          HG12      ILE  52 -11.419   0.199  -6.459
  379   HG13  ILE  52          HG13      ILE  52 -11.719  -0.981  -5.190
  380   HG21  ILE  52          HG21      ILE  52 -14.102   0.106  -7.813
  381   HG22  ILE  52          HG22      ILE  52 -13.317   1.609  -7.338
  382   HG23  ILE  52          HG23      ILE  52 -14.961   1.263  -6.796
  383   HD11  ILE  52          HD11      ILE  52 -12.899  -2.399  -6.796
  384   HD12  ILE  52          HD12      ILE  52 -11.245  -2.067  -7.307
  385   HD13  ILE  52          HD13      ILE  52 -12.591  -1.213  -8.064
  386    H    HIS  53           H        HIS  53 -14.969  -0.377  -3.731
  387    HA   HIS  53           HA       HIS  53 -16.836   1.394  -2.650
  388    HB2  HIS  53           HB2      HIS  53 -17.279   1.523  -5.178
  389    HB3  HIS  53           HB3      HIS  53 -17.633  -0.196  -5.123
  390    HD1  HIS  53           HD3      HIS  53 -19.410   2.771  -5.374
  391    HD2  HIS  53           HD2      HIS  53 -19.743  -0.509  -2.845
  392    HE1  HIS  53           HE1      HIS  53 -21.759   2.827  -4.472
  Start of MODEL   12
    1    H1   GLU   1          1HT       GLU   1 -14.702  -3.839  -2.852
    2    H2   GLU   1          2HT       GLU   1 -16.000  -3.665  -3.892
    3    H3   GLU   1          3HT       GLU   1 -15.464  -2.329  -2.997
    4    HA   GLU   1           HA       GLU   1 -14.048  -3.777  -5.155
    5    HB2  GLU   1           HB2      GLU   1 -15.105  -0.973  -4.960
    6    HB3  GLU   1           HB3      GLU   1 -14.030  -1.525  -6.237
    7    HG2  GLU   1           HG2      GLU   1 -16.801  -2.511  -5.652
    8    HG3  GLU   1           HG3      GLU   1 -16.234  -1.496  -6.999
    9    H    GLU   2           H        GLU   2 -12.030  -3.542  -5.339
   10    HA   GLU   2           HA       GLU   2 -10.502  -1.761  -3.562
   11    HB2  GLU   2           HB2      GLU   2 -10.081  -4.733  -3.843
   12    HB3  GLU   2           HB3      GLU   2  -8.935  -3.640  -3.103
   13    HG2  GLU   2           HG2      GLU   2 -10.316  -3.267  -1.261
   14    HG3  GLU   2           HG3      GLU   2 -11.733  -3.942  -2.065
   15    H    THR   3           H        THR   3  -9.068  -0.757  -4.762
   16    HA   THR   3           HA       THR   3  -8.130  -1.918  -7.258
   17    HB   THR   3           HB       THR   3  -7.298   0.639  -5.903
   18    HG1  THR   3           HG1      THR   3  -9.542   0.011  -7.489
   19   HG21  THR   3          HG21      THR   3  -5.853  -0.130  -7.739
   20   HG22  THR   3          HG22      THR   3  -6.675   1.370  -8.154
   21   HG23  THR   3          HG23      THR   3  -7.249  -0.158  -8.819
   22    H    GLU   4           H        GLU   4  -6.614  -3.459  -6.816
   23    HA   GLU   4           HA       GLU   4  -4.845  -3.013  -4.576
   24    HB2  GLU   4           HB2      GLU   4  -5.239  -5.436  -6.316
   25    HB3  GLU   4           HB3      GLU   4  -3.971  -5.317  -5.102
   26    HG2  GLU   4           HG2      GLU   4  -5.716  -4.937  -3.385
   27    HG3  GLU   4           HG3      GLU   4  -6.942  -5.213  -4.623
   28    H    GLU   5           H        GLU   5  -3.393  -1.692  -4.949
   29    HA   GLU   5           HA       GLU   5  -1.951  -1.782  -7.511
   30    HB2  GLU   5           HB2      GLU   5  -3.309   0.246  -7.149
   31    HB3  GLU   5           HB3      GLU   5  -2.399   0.573  -5.683
   32    HG2  GLU   5           HG2      GLU   5  -1.550   1.963  -7.417
   33    HG3  GLU   5           HG3      GLU   5  -0.344   0.726  -7.069
   34    HA   PRO   6           HA       PRO   6   1.614  -2.591  -4.801
   35    HB2  PRO   6           HB2      PRO   6   2.997  -2.732  -7.379
   36    HB3  PRO   6           HB3      PRO   6   2.897  -3.946  -6.101
   37    HG2  PRO   6           HG2      PRO   6   1.615  -4.242  -8.462
   38    HG3  PRO   6           HG3      PRO   6   0.958  -4.867  -6.939
   39    HD2  PRO   6           HD2      PRO   6   0.189  -2.421  -8.472
   40    HD3  PRO   6           HD3      PRO   6  -0.821  -3.564  -7.569
   41    H    ILE   7           H        ILE   7   2.228  -0.740  -3.993
   42    HA   ILE   7           HA       ILE   7   3.036   1.521  -5.696
   43    HB   ILE   7           HB       ILE   7   2.887   2.911  -3.679
   44   HG12  ILE   7          HG12      ILE   7   2.118   0.463  -2.144
   45   HG13  ILE   7          HG13      ILE   7   3.810   0.969  -2.222
   46   HG21  ILE   7          HG21      ILE   7   0.590   1.042  -3.930
   47   HG22  ILE   7          HG22      ILE   7   0.861   2.549  -4.823
   48   HG23  ILE   7          HG23      ILE   7   0.623   2.573  -3.060
   49   HD11  ILE   7          HD11      ILE   7   2.731   1.759  -0.224
   50   HD12  ILE   7          HD12      ILE   7   1.502   2.573  -1.214
   51   HD13  ILE   7          HD13      ILE   7   3.190   3.094  -1.287
   52    H    ARG   8           H        ARG   8   4.947   2.721  -4.967
   53    HA   ARG   8           HA       ARG   8   7.165   0.904  -4.470
   54    HB2  ARG   8           HB2      ARG   8   7.187   3.854  -5.180
   55    HB3  ARG   8           HB3      ARG   8   8.554   2.745  -5.181
   56    HG2  ARG   8           HG2      ARG   8   7.666   1.514  -6.988
   57    HG3  ARG   8           HG3      ARG   8   6.176   2.464  -6.980
   58    HD2  ARG   8           HD2      ARG   8   7.478   4.459  -7.548
   59    HD3  ARG   8           HD3      ARG   8   8.953   3.490  -7.547
   60    HE   ARG   8           HE       ARG   8   7.238   2.231  -9.250
   61   HH11  ARG   8          HH11      ARG   8   8.678   5.464  -9.153
   62   HH12  ARG   8          HH12      ARG   8   8.727   5.643 -10.842
   63   HH21  ARG   8          HH21      ARG   8   7.295   2.476 -11.545
   64   HH22  ARG   8          HH22      ARG   8   7.894   3.916 -12.237
   65    H    HIS   9           H        HIS   9   7.961   0.724  -2.473
   66    HA   HIS   9           HA       HIS   9   7.496   2.923  -0.559
   67    HB2  HIS   9           HB2      HIS   9   6.259   0.741  -0.082
   68    HB3  HIS   9           HB3      HIS   9   7.830  -0.019   0.123
   69    HD1  HIS   9           HD3      HIS   9   9.294   0.985   2.227
   70    HD2  HIS   9           HD2      HIS   9   5.265   1.950   2.110
   71    HE1  HIS   9           HE1      HIS   9   8.712   1.861   4.523
   72    H    ALA  10           H        ALA  10   9.287   3.537   0.672
   73    HA   ALA  10           HA       ALA  10  11.831   2.699  -0.438
   74    HB1  ALA  10           HB1      ALA  10  12.794   4.612   0.723
   75    HB2  ALA  10           HB2      ALA  10  11.261   4.913   1.538
   76    HB3  ALA  10           HB3      ALA  10  11.383   5.110  -0.212
   77    H    LYS  11           H        LYS  11  11.366   0.582   0.571
   78    HA   LYS  11           HA       LYS  11  13.123   0.088   2.694
   79    HB2  LYS  11           HB2      LYS  11  11.088   0.924   3.976
   80    HB3  LYS  11           HB3      LYS  11  10.168  -0.376   3.251
   81    HG2  LYS  11           HG2      LYS  11  10.765  -0.960   5.499
   82    HG3  LYS  11           HG3      LYS  11  11.648  -2.001   4.381
   83    HD2  LYS  11           HD2      LYS  11  13.647  -0.692   4.665
   84    HD3  LYS  11           HD3      LYS  11  12.778   0.492   5.645
   85    HE2  LYS  11           HE2      LYS  11  12.355  -1.214   7.324
   86    HE3  LYS  11           HE3      LYS  11  13.213  -2.411   6.371
   87    HZ1  LYS  11           HZ1      LYS  11  14.366   0.058   7.529
   88    HZ2  LYS  11           HZ2      LYS  11  15.223  -1.057   6.604
   89    HZ3  LYS  11           HZ3      LYS  11  14.600  -1.504   8.105
   90    H    LYS  12           H        LYS  12  13.802  -1.963   2.242
   91    HA   LYS  12           HA       LYS  12  12.901  -3.274  -0.047
   92    HB2  LYS  12           HB2      LYS  12  15.162  -3.556   0.795
   93    HB3  LYS  12           HB3      LYS  12  14.568  -4.301   2.262
   94    HG2  LYS  12           HG2      LYS  12  13.784  -6.211   0.990
   95    HG3  LYS  12           HG3      LYS  12  14.347  -5.456  -0.504
   96    HD2  LYS  12           HD2      LYS  12  16.635  -5.500   0.308
   97    HD3  LYS  12           HD3      LYS  12  16.082  -6.141   1.856
   98    HE2  LYS  12           HE2      LYS  12  15.323  -8.166   0.791
   99    HE3  LYS  12           HE3      LYS  12  15.750  -7.524  -0.791
  100    HZ1  LYS  12           HZ1      LYS  12  17.428  -9.065   0.081
  101    HZ2  LYS  12           HZ2      LYS  12  17.659  -8.089   1.412
  102    HZ3  LYS  12           HZ3      LYS  12  18.079  -7.524  -0.120
  103    H    ASN  13           H        ASN  13  12.405  -4.091   3.344
  104    HA   ASN  13           HA       ASN  13   9.975  -5.502   2.516
  105    HB2  ASN  13           HB2      ASN  13  11.840  -7.122   3.138
  106    HB3  ASN  13           HB3      ASN  13  11.767  -6.447   4.756
  107   HD21  ASN  13          HD21      ASN  13  10.128  -8.351   2.397
  108   HD22  ASN  13          HD22      ASN  13   8.951  -9.045   3.450
  109    HA   PRO  14           HA       PRO  14   8.839  -2.499   5.699
  110    HB2  PRO  14           HB2      PRO  14   6.505  -1.864   4.225
  111    HB3  PRO  14           HB3      PRO  14   7.973  -0.900   4.356
  112    HG2  PRO  14           HG2      PRO  14   7.042  -2.154   2.042
  113    HG3  PRO  14           HG3      PRO  14   8.675  -1.527   2.289
  114    HD2  PRO  14           HD2      PRO  14   7.654  -4.309   2.507
  115    HD3  PRO  14           HD3      PRO  14   9.239  -3.718   1.943
  116    H    SER  15           H        SER  15   7.164  -2.504   7.118
  117    HA   SER  15           HA       SER  15   5.703  -4.970   7.435
  118    HB2  SER  15           HB2      SER  15   5.559  -2.446   9.068
  119    HB3  SER  15           HB3      SER  15   5.247  -4.108   9.585
  120    HG   SER  15           HG       SER  15   7.691  -2.861   8.958
  121    H    GLU  16           H        GLU  16   3.237  -4.672   8.021
  122    HA   GLU  16           HA       GLU  16   2.042  -3.471   5.781
  123    HB2  GLU  16           HB2      GLU  16   1.038  -5.411   7.058
  124    HB3  GLU  16           HB3      GLU  16   0.542  -4.245   8.285
  125    HG2  GLU  16           HG2      GLU  16  -0.722  -3.014   6.579
  126    HG3  GLU  16           HG3      GLU  16  -0.266  -4.219   5.391
  127    H    GLY  17           H        GLY  17   2.498  -2.333   9.087
  128    HA2  GLY  17           HA2      GLY  17   0.838  -0.072   8.965
  129    HA3  GLY  17           HA3      GLY  17   2.264  -0.226   9.986
  130    H    GLU  18           H        GLU  18   4.192  -0.512   8.049
  131    HA   GLU  18           HA       GLU  18   4.734   2.149   7.298
  132    HB2  GLU  18           HB2      GLU  18   5.969  -0.407   6.237
  133    HB3  GLU  18           HB3      GLU  18   6.665   1.202   6.109
  134    HG2  GLU  18           HG2      GLU  18   6.848   1.305   8.556
  135    HG3  GLU  18           HG3      GLU  18   6.165  -0.311   8.659
  136    H    CYS  19           H        CYS  19   3.739  -0.706   5.448
  137    HA   CYS  19           HA       CYS  19   3.453   0.513   2.978
  138    HB2  CYS  19           HB2      CYS  19   1.967  -1.804   4.180
  139    HB3  CYS  19           HB3      CYS  19   1.780  -1.330   2.504
  140    H    LYS  20           H        LYS  20   1.031   0.171   5.604
  141    HA   LYS  20           HA       LYS  20  -1.108   1.291   4.258
  142    HB2  LYS  20           HB2      LYS  20  -0.465   1.449   7.209
  143    HB3  LYS  20           HB3      LYS  20  -1.974   2.021   6.527
  144    HG2  LYS  20           HG2      LYS  20  -2.500  -0.259   5.800
  145    HG3  LYS  20           HG3      LYS  20  -0.966  -0.815   6.478
  146    HD2  LYS  20           HD2      LYS  20  -1.673  -0.026   8.699
  147    HD3  LYS  20           HD3      LYS  20  -3.228   0.467   8.029
  148    HE2  LYS  20           HE2      LYS  20  -2.147  -2.348   8.005
  149    HE3  LYS  20           HE3      LYS  20  -3.269  -1.736   9.202
  150    HZ1  LYS  20           HZ1      LYS  20  -4.003  -1.541   6.358
  151    HZ2  LYS  20           HZ2      LYS  20  -4.999  -1.792   7.721
  152    HZ3  LYS  20           HZ3      LYS  20  -4.015  -3.022   7.144
  153    H    LYS  21           H        LYS  21   1.404   2.844   6.181
  154    HA   LYS  21           HA       LYS  21   0.500   5.475   6.081
  155    HB2  LYS  21           HB2      LYS  21   2.319   4.713   7.535
  156    HB3  LYS  21           HB3      LYS  21   3.340   4.438   6.138
  157    HG2  LYS  21           HG2      LYS  21   3.968   6.494   7.271
  158    HG3  LYS  21           HG3      LYS  21   3.336   6.840   5.662
  159    HD2  LYS  21           HD2      LYS  21   1.197   7.466   6.608
  160    HD3  LYS  21           HD3      LYS  21   1.763   7.062   8.229
  161    HE2  LYS  21           HE2      LYS  21   1.847   9.469   7.872
  162    HE3  LYS  21           HE3      LYS  21   3.475   8.816   8.044
  163    HZ1  LYS  21           HZ1      LYS  21   2.152   9.531   5.480
  164    HZ2  LYS  21           HZ2      LYS  21   3.729   8.924   5.633
  165    HZ3  LYS  21           HZ3      LYS  21   3.340  10.427   6.261
  166    H    ALA  22           H        ALA  22   2.693   3.756   3.887
  167    HA   ALA  22           HA       ALA  22   3.003   5.943   2.116
  168    HB1  ALA  22           HB1      ALA  22   4.624   4.121   2.257
  169    HB2  ALA  22           HB2      ALA  22   4.041   4.341   0.605
  170    HB3  ALA  22           HB3      ALA  22   3.426   3.012   1.588
  171    H    CYS  23           H        CYS  23   0.885   3.083   2.010
  172    HA   CYS  23           HA       CYS  23  -0.351   3.512  -0.463
  173    HB2  CYS  23           HB2      CYS  23  -1.578   2.352   2.054
  174    HB3  CYS  23           HB3      CYS  23  -2.259   2.211   0.445
  175    H    ALA  24           H        ALA  24  -1.121   4.747   2.737
  176    HA   ALA  24           HA       ALA  24  -3.460   6.111   1.997
  177    HB1  ALA  24           HB1      ALA  24  -1.550   6.660   4.257
  178    HB2  ALA  24           HB2      ALA  24  -2.909   5.539   4.299
  179    HB3  ALA  24           HB3      ALA  24  -3.199   7.271   4.119
  180    H    ASP  25           H        ASP  25  -0.137   7.189   2.519
  181    HA   ASP  25           HA       ASP  25  -0.413   9.891   2.060
  182    HB2  ASP  25           HB2      ASP  25   1.649   8.821   2.891
  183    HB3  ASP  25           HB3      ASP  25   1.955   8.191   1.277
  184    H    ALA  26           H        ALA  26   0.351   7.410  -0.345
  185    HA   ALA  26           HA       ALA  26   0.497   9.285  -2.483
  186    HB1  ALA  26           HB1      ALA  26   0.255   6.292  -2.614
  187    HB2  ALA  26           HB2      ALA  26   1.764   7.193  -2.473
  188    HB3  ALA  26           HB3      ALA  26   0.766   7.363  -3.917
  189    H    PHE  27           H        PHE  27  -2.209   7.707  -1.010
  190    HA   PHE  27           HA       PHE  27  -3.641   8.191  -3.513
  191    HB2  PHE  27           HB2      PHE  27  -4.020   5.886  -1.633
  192    HB3  PHE  27           HB3      PHE  27  -5.216   6.315  -2.858
  193    HD1  PHE  27           HD1      PHE  27  -2.144   4.492  -2.243
  194    HD2  PHE  27           HD2      PHE  27  -4.405   6.517  -5.240
  195    HE1  PHE  27           HE1      PHE  27  -0.917   3.331  -3.955
  196    HE2  PHE  27           HE2      PHE  27  -3.141   5.352  -6.978
  197    HZ   PHE  27           HZ       PHE  27  -1.373   3.742  -6.337
  198    H    ALA  28           H        ALA  28  -3.975   8.338  -0.054
  199    HA   ALA  28           HA       ALA  28  -6.320  10.051  -0.488
  200    HB1  ALA  28           HB1      ALA  28  -6.888   7.916   0.581
  201    HB2  ALA  28           HB2      ALA  28  -7.182   9.299   1.630
  202    HB3  ALA  28           HB3      ALA  28  -5.759   8.283   1.889
  203    H    ASN  29           H        ASN  29  -3.256  10.306  -0.064
  204    HA   ASN  29           HA       ASN  29  -1.802  11.795   0.764
  205    HB2  ASN  29           HB2      ASN  29  -4.317  13.442   1.018
  206    HB3  ASN  29           HB3      ASN  29  -2.716  14.093   1.358
  207   HD21  ASN  29          HD21      ASN  29  -4.878  12.958  -1.130
  208   HD22  ASN  29          HD22      ASN  29  -3.934  13.526  -2.447
  209    H    GLY  30           H        GLY  30  -2.991   9.889   2.617
  210    HA2  GLY  30           HA2      GLY  30  -1.646   9.869   4.765
  211    HA3  GLY  30           HA3      GLY  30  -2.471  11.377   5.116
  212    H    ASP  31           H        ASP  31  -4.994  10.263   3.906
  213    HA   ASP  31           HA       ASP  31  -5.972   9.145   6.345
  214    HB2  ASP  31           HB2      ASP  31  -7.474  10.497   4.964
  215    HB3  ASP  31           HB3      ASP  31  -7.363   9.313   3.664
  216    H    GLN  32           H        GLN  32  -5.760   7.179   6.992
  217    HA   GLN  32           HA       GLN  32  -4.952   5.127   5.099
  218    HB2  GLN  32           HB2      GLN  32  -5.148   4.987   8.091
  219    HB3  GLN  32           HB3      GLN  32  -4.376   3.807   7.043
  220    HG2  GLN  32           HG2      GLN  32  -2.739   5.538   6.392
  221    HG3  GLN  32           HG3      GLN  32  -3.498   6.636   7.546
  222   HE21  GLN  32          HE21      GLN  32  -0.821   5.665   7.497
  223   HE22  GLN  32          HE22      GLN  32  -0.551   4.821   8.980
  224    H    SER  33           H        SER  33  -7.895   6.182   6.011
  225    HA   SER  33           HA       SER  33  -9.013   3.563   6.553
  226    HB2  SER  33           HB2      SER  33 -10.323   6.280   6.379
  227    HB3  SER  33           HB3      SER  33 -11.115   4.787   6.894
  228    HG   SER  33           HG       SER  33 -10.178   6.321   8.513
  229    H    LYS  34           H        LYS  34  -8.488   5.733   3.995
  230    HA   LYS  34           HA       LYS  34 -10.423   4.741   2.148
  231    HB2  LYS  34           HB2      LYS  34  -9.174   6.954   2.077
  232    HB3  LYS  34           HB3      LYS  34  -7.762   6.051   1.574
  233    HG2  LYS  34           HG2      LYS  34  -8.786   7.058  -0.348
  234    HG3  LYS  34           HG3      LYS  34  -8.992   5.302  -0.414
  235    HD2  LYS  34           HD2      LYS  34 -11.276   5.458   0.270
  236    HD3  LYS  34           HD3      LYS  34 -11.105   7.173   0.656
  237    HE2  LYS  34           HE2      LYS  34 -12.297   6.821  -1.457
  238    HE3  LYS  34           HE3      LYS  34 -10.786   7.689  -1.699
  239    HZ1  LYS  34           HZ1      LYS  34 -11.213   4.788  -2.187
  240    HZ2  LYS  34           HZ2      LYS  34  -9.776   5.639  -2.496
  241    HZ3  LYS  34           HZ3      LYS  34 -11.141   5.975  -3.362
  242    H    ILE  35           H        ILE  35  -7.627   3.521   3.464
  243    HA   ILE  35           HA       ILE  35  -7.163   1.575   1.306
  244    HB   ILE  35           HB       ILE  35  -5.348   2.293   3.637
  245   HG12  ILE  35          HG12      ILE  35  -5.479   4.176   2.076
  246   HG13  ILE  35          HG13      ILE  35  -3.895   3.419   1.995
  247   HG21  ILE  35          HG21      ILE  35  -3.628   1.000   2.456
  248   HG22  ILE  35          HG22      ILE  35  -4.808   0.569   1.221
  249   HG23  ILE  35          HG23      ILE  35  -5.023   0.004   2.875
  250   HD11  ILE  35          HD11      ILE  35  -6.145   3.070   0.026
  251   HD12  ILE  35          HD12      ILE  35  -4.576   2.273  -0.071
  252   HD13  ILE  35          HD13      ILE  35  -4.684   4.028  -0.214
  253    H    ALA  36           H        ALA  36  -7.844  -0.434   1.736
  254    HA   ALA  36           HA       ALA  36  -9.137  -1.026   4.231
  255    HB1  ALA  36           HB1      ALA  36 -10.014  -1.850   2.090
  256    HB2  ALA  36           HB2      ALA  36  -9.679  -3.170   3.203
  257    HB3  ALA  36           HB3      ALA  36  -8.564  -2.831   1.879
  258    H    LYS  37           H        LYS  37  -6.442  -2.484   2.484
  259    HA   LYS  37           HA       LYS  37  -5.060  -3.078   4.935
  260    HB2  LYS  37           HB2      LYS  37  -6.604  -5.050   4.544
  261    HB3  LYS  37           HB3      LYS  37  -5.856  -5.267   2.973
  262    HG2  LYS  37           HG2      LYS  37  -3.699  -5.689   4.078
  263    HG3  LYS  37           HG3      LYS  37  -4.483  -5.520   5.643
  264    HD2  LYS  37           HD2      LYS  37  -5.890  -7.440   5.149
  265    HD3  LYS  37           HD3      LYS  37  -5.145  -7.596   3.557
  266    HE2  LYS  37           HE2      LYS  37  -3.717  -7.838   6.213
  267    HE3  LYS  37           HE3      LYS  37  -4.168  -9.172   5.156
  268    HZ1  LYS  37           HZ1      LYS  37  -1.816  -8.514   4.949
  269    HZ2  LYS  37           HZ2      LYS  37  -2.270  -7.002   4.373
  270    HZ3  LYS  37           HZ3      LYS  37  -2.669  -8.392   3.508
  271    H    ALA  38           H        ALA  38  -2.875  -3.958   4.305
  272    HA   ALA  38           HA       ALA  38  -2.159  -3.591   1.516
  273    HB1  ALA  38           HB1      ALA  38  -0.698  -2.320   3.842
  274    HB2  ALA  38           HB2      ALA  38  -1.619  -1.477   2.586
  275    HB3  ALA  38           HB3      ALA  38  -0.151  -2.356   2.160
  276    H    GLU  39           H        GLU  39  -0.075  -4.664   1.119
  277    HA   GLU  39           HA       GLU  39   1.065  -6.261   3.242
  278    HB2  GLU  39           HB2      GLU  39  -0.830  -7.691   2.454
  279    HB3  GLU  39           HB3      GLU  39  -0.166  -7.649   0.825
  280    HG2  GLU  39           HG2      GLU  39   1.800  -8.856   1.569
  281    HG3  GLU  39           HG3      GLU  39   1.226  -8.809   3.232
  282    H    ASN  40           H        ASN  40   3.153  -7.073   2.615
  283    HA   ASN  40           HA       ASN  40   4.428  -5.471   0.683
  284    HB2  ASN  40           HB2      ASN  40   5.764  -6.295   2.514
  285    HB3  ASN  40           HB3      ASN  40   5.408  -7.967   2.080
  286   HD21  ASN  40          HD21      ASN  40   7.022  -5.066   1.007
  287   HD22  ASN  40          HD22      ASN  40   8.156  -5.853  -0.031
  288    H    PHE  41           H        PHE  41   4.498  -5.632  -1.363
  289    HA   PHE  41           HA       PHE  41   3.294  -7.910  -2.692
  290    HB2  PHE  41           HB2      PHE  41   2.590  -5.691  -3.386
  291    HB3  PHE  41           HB3      PHE  41   4.251  -5.219  -3.675
  292    HD1  PHE  41           HD1      PHE  41   1.513  -7.392  -4.904
  293    HD2  PHE  41           HD2      PHE  41   5.314  -5.653  -5.729
  294    HE1  PHE  41           HE1      PHE  41   1.329  -8.077  -7.261
  295    HE2  PHE  41           HE2      PHE  41   5.147  -6.334  -8.049
  296    HZ   PHE  41           HZ       PHE  41   3.136  -7.549  -8.837
  297    H    LYS  42           H        LYS  42   6.358  -6.140  -2.642
  298    HA   LYS  42           HA       LYS  42   7.861  -8.403  -3.473
  299    HB2  LYS  42           HB2      LYS  42   6.781  -7.374  -5.617
  300    HB3  LYS  42           HB3      LYS  42   7.786  -5.976  -5.311
  301    HG2  LYS  42           HG2      LYS  42   8.823  -7.307  -6.990
  302    HG3  LYS  42           HG3      LYS  42   9.781  -7.461  -5.522
  303    HD2  LYS  42           HD2      LYS  42   8.653  -9.612  -5.043
  304    HD3  LYS  42           HD3      LYS  42   7.725  -9.437  -6.531
  305    HE2  LYS  42           HE2      LYS  42  10.730  -9.676  -6.331
  306    HE3  LYS  42           HE3      LYS  42   9.623 -10.959  -6.800
  307    HZ1  LYS  42           HZ1      LYS  42  10.030  -8.424  -8.305
  308    HZ2  LYS  42           HZ2      LYS  42   9.013  -9.677  -8.765
  309    HZ3  LYS  42           HZ3      LYS  42  10.667  -9.916  -8.726
  310    H    ASP  43           H        ASP  43  10.244  -7.393  -3.674
  311    HA   ASP  43           HA       ASP  43  10.803  -5.927  -1.359
  312    HB2  ASP  43           HB2      ASP  43  12.483  -6.117  -3.878
  313    HB3  ASP  43           HB3      ASP  43  13.062  -5.660  -2.282
  314    H    TYR  44           H        TYR  44  10.626  -3.844  -0.942
  315    HA   TYR  44           HA       TYR  44  10.315  -1.614  -1.124
  316    HB2  TYR  44           HB2      TYR  44  11.516  -1.996  -3.884
  317    HB3  TYR  44           HB3      TYR  44  11.094  -0.424  -3.218
  318    HD1  TYR  44           HD1      TYR  44  13.440  -3.227  -3.062
  319    HD2  TYR  44           HD2      TYR  44  12.378   0.540  -1.420
  320    HE1  TYR  44           HE1      TYR  44  15.621  -3.102  -1.963
  321    HE2  TYR  44           HE2      TYR  44  14.560   0.688  -0.315
  322    HH   TYR  44           HH       TYR  44  17.139  -1.291  -1.064
  323    H    TYR  45           H        TYR  45   8.247  -3.630  -2.155
  324    HA   TYR  45           HA       TYR  45   6.480  -1.576  -3.266
  325    HB2  TYR  45           HB2      TYR  45   6.808  -4.375  -4.339
  326    HB3  TYR  45           HB3      TYR  45   5.415  -3.368  -4.688
  327    HD1  TYR  45           HD1      TYR  45   8.775  -4.198  -5.640
  328    HD2  TYR  45           HD2      TYR  45   5.818  -1.161  -5.861
  329    HE1  TYR  45           HE1      TYR  45   9.941  -3.216  -7.543
  330    HE2  TYR  45           HE2      TYR  45   6.974  -0.161  -7.761
  331    HH   TYR  45           HH       TYR  45   9.372  -1.758  -9.493
  332    H    CYS  46           H        CYS  46   4.509  -1.545  -2.531
  333    HA   CYS  46           HA       CYS  46   3.655  -3.721  -0.735
  334    HB2  CYS  46           HB2      CYS  46   3.129  -0.756  -0.416
  335    HB3  CYS  46           HB3      CYS  46   2.374  -2.009   0.562
  336    H    ASN  47           H        ASN  47   1.716  -4.581  -1.149
  337    HA   ASN  47           HA       ASN  47   0.199  -3.597  -3.421
  338    HB2  ASN  47           HB2      ASN  47   0.607  -6.044  -3.190
  339    HB3  ASN  47           HB3      ASN  47  -0.201  -6.020  -1.629
  340   HD21  ASN  47          HD21      ASN  47  -2.458  -5.940  -1.567
  341   HD22  ASN  47          HD22      ASN  47  -3.427  -6.204  -2.953
  342    H    CYS  48           H        CYS  48  -1.087  -1.979  -2.970
  343    HA   CYS  48           HA       CYS  48  -2.257  -1.719  -0.318
  344    HB2  CYS  48           HB2      CYS  48  -2.272   0.181  -2.662
  345    HB3  CYS  48           HB3      CYS  48  -2.767   0.531  -1.008
  346    H    HIS  49           H        HIS  49  -4.405  -1.856   0.038
  347    HA   HIS  49           HA       HIS  49  -6.089  -2.648  -2.217
  348    HB2  HIS  49           HB2      HIS  49  -6.489  -2.973   0.774
  349    HB3  HIS  49           HB3      HIS  49  -7.654  -3.453  -0.447
  350    HD1  HIS  49           HD3      HIS  49  -7.642  -5.870  -0.695
  351    HD2  HIS  49           HD2      HIS  49  -3.860  -4.403   0.161
  352    HE1  HIS  49           HE1      HIS  49  -6.108  -7.898  -0.633
  353    H    ILE  50           H        ILE  50  -6.582  -0.698  -2.979
  354    HA   ILE  50           HA       ILE  50  -7.290   1.425  -1.151
  355    HB   ILE  50           HB       ILE  50  -7.506   1.583  -4.158
  356   HG12  ILE  50          HG12      ILE  50  -4.981   2.099  -2.567
  357   HG13  ILE  50          HG13      ILE  50  -5.259   0.608  -3.459
  358   HG21  ILE  50          HG21      ILE  50  -8.354   3.414  -2.750
  359   HG22  ILE  50          HG22      ILE  50  -6.916   3.927  -3.661
  360   HG23  ILE  50          HG23      ILE  50  -6.778   3.484  -1.956
  361   HD11  ILE  50          HD11      ILE  50  -5.143   3.373  -4.631
  362   HD12  ILE  50          HD12      ILE  50  -5.401   1.876  -5.530
  363   HD13  ILE  50          HD13      ILE  50  -3.871   2.155  -4.699
  364    H    ILE  51           H        ILE  51  -9.325   1.766  -0.550
  365    HA   ILE  51           HA       ILE  51 -11.384   0.034  -1.548
  366    HB   ILE  51           HB       ILE  51 -11.579   2.318   0.428
  367   HG12  ILE  51          HG12      ILE  51 -11.298  -0.638   0.960
  368   HG13  ILE  51          HG13      ILE  51  -9.988   0.530   1.120
  369   HG21  ILE  51          HG21      ILE  51 -13.435   0.003  -0.140
  370   HG22  ILE  51          HG22      ILE  51 -13.736   1.696  -0.527
  371   HG23  ILE  51          HG23      ILE  51 -13.638   1.179   1.157
  372   HD11  ILE  51          HD11      ILE  51 -11.223   1.676   2.878
  373   HD12  ILE  51          HD12      ILE  51 -10.983  -0.027   3.277
  374   HD13  ILE  51          HD13      ILE  51 -12.552   0.535   2.689
  375    H    ILE  52           H        ILE  52 -12.468   0.535  -3.320
  376    HA   ILE  52           HA       ILE  52 -12.854   3.329  -4.047
  377    HB   ILE  52           HB       ILE  52 -13.968   0.821  -5.367
  378   HG12  ILE  52          HG12      ILE  52 -11.672   2.613  -6.192
  379   HG13  ILE  52          HG13      ILE  52 -11.529   0.973  -5.573
  380   HG21  ILE  52          HG21      ILE  52 -14.546   2.287  -7.257
  381   HG22  ILE  52          HG22      ILE  52 -14.009   3.686  -6.330
  382   HG23  ILE  52          HG23      ILE  52 -15.400   2.749  -5.783
  383   HD11  ILE  52          HD11      ILE  52 -11.258   1.047  -7.985
  384   HD12  ILE  52          HD12      ILE  52 -12.855   1.775  -8.154
  385   HD13  ILE  52          HD13      ILE  52 -12.696   0.128  -7.544
  386    H    HIS  53           H        HIS  53 -14.761   0.496  -3.263
  387    HA   HIS  53           HA       HIS  53 -16.490   1.928  -1.573
  388    HB2  HIS  53           HB2      HIS  53 -17.536   2.408  -3.811
  389    HB3  HIS  53           HB3      HIS  53 -17.659   0.676  -4.092
  390    HD1  HIS  53           HD3      HIS  53 -19.748  -0.456  -3.201
  391    HD2  HIS  53           HD2      HIS  53 -19.171   3.340  -1.627
  392    HE1  HIS  53           HE1      HIS  53 -21.816   0.055  -1.861
  Start of MODEL   13
    1    H1   GLU   1          1HT       GLU   1 -14.390  -6.987  -2.627
    2    H2   GLU   1          2HT       GLU   1 -14.611  -5.359  -2.240
    3    H3   GLU   1          3HT       GLU   1 -13.255  -6.164  -1.679
    4    HA   GLU   1           HA       GLU   1 -12.422  -6.407  -3.876
    5    HB2  GLU   1           HB2      GLU   1 -14.930  -4.934  -4.612
    6    HB3  GLU   1           HB3      GLU   1 -13.533  -5.042  -5.670
    7    HG2  GLU   1           HG2      GLU   1 -13.717  -7.436  -5.702
    8    HG3  GLU   1           HG3      GLU   1 -15.085  -7.358  -4.592
    9    H    GLU   2           H        GLU   2 -10.744  -5.270  -3.621
   10    HA   GLU   2           HA       GLU   2 -11.038  -2.395  -3.214
   11    HB2  GLU   2           HB2      GLU   2  -8.936  -4.260  -2.090
   12    HB3  GLU   2           HB3      GLU   2  -8.772  -2.517  -2.095
   13    HG2  GLU   2           HG2      GLU   2  -9.442  -3.193   0.086
   14    HG3  GLU   2           HG3      GLU   2 -10.814  -2.392  -0.665
   15    H    THR   3           H        THR   3  -9.515  -1.135  -4.287
   16    HA   THR   3           HA       THR   3  -8.582  -2.210  -6.775
   17    HB   THR   3           HB       THR   3  -8.085   0.477  -5.503
   18    HG1  THR   3           HG1      THR   3 -10.300  -0.556  -6.930
   19   HG21  THR   3          HG21      THR   3  -7.837   1.248  -7.835
   20   HG22  THR   3          HG22      THR   3  -8.087  -0.409  -8.388
   21   HG23  THR   3          HG23      THR   3  -6.665  -0.006  -7.427
   22    H    GLU   4           H        GLU   4  -6.750  -3.344  -6.737
   23    HA   GLU   4           HA       GLU   4  -4.790  -2.847  -4.663
   24    HB2  GLU   4           HB2      GLU   4  -5.010  -5.036  -6.727
   25    HB3  GLU   4           HB3      GLU   4  -3.703  -4.897  -5.552
   26    HG2  GLU   4           HG2      GLU   4  -5.288  -5.144  -3.731
   27    HG3  GLU   4           HG3      GLU   4  -6.618  -5.230  -4.884
   28    H    GLU   5           H        GLU   5  -2.930  -1.886  -4.996
   29    HA   GLU   5           HA       GLU   5  -1.924  -1.533  -7.710
   30    HB2  GLU   5           HB2      GLU   5  -3.421   0.403  -7.210
   31    HB3  GLU   5           HB3      GLU   5  -2.411   0.780  -5.828
   32    HG2  GLU   5           HG2      GLU   5  -1.848   2.237  -7.638
   33    HG3  GLU   5           HG3      GLU   5  -0.502   1.138  -7.345
   34    HA   PRO   6           HA       PRO   6   1.728  -2.187  -5.091
   35    HB2  PRO   6           HB2      PRO   6   3.226  -2.178  -7.591
   36    HB3  PRO   6           HB3      PRO   6   3.002  -3.499  -6.444
   37    HG2  PRO   6           HG2      PRO   6   1.895  -3.465  -8.918
   38    HG3  PRO   6           HG3      PRO   6   1.166  -4.311  -7.540
   39    HD2  PRO   6           HD2      PRO   6   0.449  -1.684  -8.766
   40    HD3  PRO   6           HD3      PRO   6  -0.598  -2.955  -8.091
   41    H    ILE   7           H        ILE   7   2.798  -0.603  -4.211
   42    HA   ILE   7           HA       ILE   7   3.446   1.815  -5.763
   43    HB   ILE   7           HB       ILE   7   3.389   3.072  -3.647
   44   HG12  ILE   7          HG12      ILE   7   2.583   0.515  -2.295
   45   HG13  ILE   7          HG13      ILE   7   4.266   1.046  -2.311
   46   HG21  ILE   7          HG21      ILE   7   1.023   1.329  -3.982
   47   HG22  ILE   7          HG22      ILE   7   1.379   2.853  -4.811
   48   HG23  ILE   7          HG23      ILE   7   1.142   2.822  -3.046
   49   HD11  ILE   7          HD11      ILE   7   3.605   3.093  -1.245
   50   HD12  ILE   7          HD12      ILE   7   3.164   1.675  -0.274
   51   HD13  ILE   7          HD13      ILE   7   1.927   2.548  -1.209
   52    H    ARG   8           H        ARG   8   5.404   2.891  -5.025
   53    HA   ARG   8           HA       ARG   8   7.616   1.031  -4.677
   54    HB2  ARG   8           HB2      ARG   8   7.557   4.045  -5.017
   55    HB3  ARG   8           HB3      ARG   8   8.999   3.042  -5.014
   56    HG2  ARG   8           HG2      ARG   8   8.361   1.994  -7.058
   57    HG3  ARG   8           HG3      ARG   8   6.795   2.810  -7.044
   58    HD2  ARG   8           HD2      ARG   8   8.391   3.878  -8.578
   59    HD3  ARG   8           HD3      ARG   8   7.890   4.961  -7.280
   60    HE   ARG   8           HE       ARG   8  10.326   3.482  -6.810
   61   HH11  ARG   8          HH11      ARG   8   8.960   6.486  -8.133
   62   HH12  ARG   8          HH12      ARG   8  10.364   7.398  -7.876
   63   HH21  ARG   8          HH21      ARG   8  12.269   4.776  -6.435
   64   HH22  ARG   8          HH22      ARG   8  12.281   6.412  -6.871
   65    H    HIS   9           H        HIS   9   8.802   0.925  -2.737
   66    HA   HIS   9           HA       HIS   9   8.007   2.819  -0.651
   67    HB2  HIS   9           HB2      HIS   9   6.809   0.466  -0.638
   68    HB3  HIS   9           HB3      HIS   9   8.342  -0.085   0.021
   69    HD1  HIS   9           HD3      HIS   9   9.013   0.997   2.436
   70    HD2  HIS   9           HD2      HIS   9   5.168   1.753   1.069
   71    HE1  HIS   9           HE1      HIS   9   7.731   1.848   4.403
   72    H    ALA  10           H        ALA  10   9.638   3.123   0.924
   73    HA   ALA  10           HA       ALA  10  12.319   2.520  -0.037
   74    HB1  ALA  10           HB1      ALA  10  11.714   4.810   0.623
   75    HB2  ALA  10           HB2      ALA  10  13.058   4.155   1.560
   76    HB3  ALA  10           HB3      ALA  10  11.448   4.245   2.279
   77    H    LYS  11           H        LYS  11  10.618   0.469   1.221
   78    HA   LYS  11           HA       LYS  11  12.407  -0.394   3.368
   79    HB2  LYS  11           HB2      LYS  11  10.156   0.575   4.188
   80    HB3  LYS  11           HB3      LYS  11   9.396  -0.755   3.348
   81    HG2  LYS  11           HG2      LYS  11   9.509  -1.272   5.669
   82    HG3  LYS  11           HG3      LYS  11  10.648  -2.319   4.822
   83    HD2  LYS  11           HD2      LYS  11  12.503  -0.953   5.515
   84    HD3  LYS  11           HD3      LYS  11  11.409   0.268   6.167
   85    HE2  LYS  11           HE2      LYS  11  11.688  -2.554   7.192
   86    HE3  LYS  11           HE3      LYS  11  12.411  -1.125   7.926
   87    HZ1  LYS  11           HZ1      LYS  11  10.433  -1.589   9.096
   88    HZ2  LYS  11           HZ2      LYS  11   9.551  -1.808   7.701
   89    HZ3  LYS  11           HZ3      LYS  11  10.030  -0.258   8.116
   90    H    LYS  12           H        LYS  12  13.030  -2.480   2.890
   91    HA   LYS  12           HA       LYS  12  12.427  -3.513   0.340
   92    HB2  LYS  12           HB2      LYS  12  14.562  -3.913   1.519
   93    HB3  LYS  12           HB3      LYS  12  13.715  -4.904   2.697
   94    HG2  LYS  12           HG2      LYS  12  13.127  -6.500   0.945
   95    HG3  LYS  12           HG3      LYS  12  13.946  -5.472  -0.241
   96    HD2  LYS  12           HD2      LYS  12  16.049  -5.766   0.945
   97    HD3  LYS  12           HD3      LYS  12  15.246  -6.786   2.136
   98    HE2  LYS  12           HE2      LYS  12  15.465  -7.380  -0.815
   99    HE3  LYS  12           HE3      LYS  12  16.469  -8.093   0.444
  100    HZ1  LYS  12           HZ1      LYS  12  14.354  -8.967   1.421
  101    HZ2  LYS  12           HZ2      LYS  12  14.823  -9.604  -0.054
  102    HZ3  LYS  12           HZ3      LYS  12  13.559  -8.518  -0.024
  103    H    ASN  13           H        ASN  13  11.511  -4.471   3.560
  104    HA   ASN  13           HA       ASN  13   9.268  -5.983   2.417
  105    HB2  ASN  13           HB2      ASN  13  11.100  -7.495   3.281
  106    HB3  ASN  13           HB3      ASN  13  10.855  -6.778   4.868
  107   HD21  ASN  13          HD21      ASN  13   8.459  -7.725   2.447
  108   HD22  ASN  13          HD22      ASN  13   7.661  -8.850   3.487
  109    HA   PRO  14           HA       PRO  14   7.800  -2.972   5.497
  110    HB2  PRO  14           HB2      PRO  14   5.751  -2.058   3.805
  111    HB3  PRO  14           HB3      PRO  14   7.303  -1.276   4.094
  112    HG2  PRO  14           HG2      PRO  14   6.437  -2.431   1.676
  113    HG3  PRO  14           HG3      PRO  14   8.084  -1.915   2.059
  114    HD2  PRO  14           HD2      PRO  14   6.873  -4.624   2.131
  115    HD3  PRO  14           HD3      PRO  14   8.547  -4.139   1.753
  116    H    SER  15           H        SER  15   6.319  -3.327   6.998
  117    HA   SER  15           HA       SER  15   4.297  -5.326   6.654
  118    HB2  SER  15           HB2      SER  15   3.981  -4.590   9.137
  119    HB3  SER  15           HB3      SER  15   5.442  -5.478   8.694
  120    HG   SER  15           HG       SER  15   5.183  -2.898   9.595
  121    H    GLU  16           H        GLU  16   2.110  -4.504   7.928
  122    HA   GLU  16           HA       GLU  16   0.975  -2.776   6.123
  123    HB2  GLU  16           HB2      GLU  16  -0.096  -3.695   8.746
  124    HB3  GLU  16           HB3      GLU  16  -0.966  -2.507   7.784
  125    HG2  GLU  16           HG2      GLU  16  -0.697  -4.261   5.884
  126    HG3  GLU  16           HG3      GLU  16  -0.414  -5.379   7.216
  127    H    GLY  17           H        GLY  17   2.059  -1.850   9.389
  128    HA2  GLY  17           HA2      GLY  17   0.970   0.713   9.418
  129    HA3  GLY  17           HA3      GLY  17   2.483   0.301  10.201
  130    H    GLU  18           H        GLU  18   4.132  -0.194   8.219
  131    HA   GLU  18           HA       GLU  18   5.110   2.195   7.180
  132    HB2  GLU  18           HB2      GLU  18   5.373  -0.571   5.975
  133    HB3  GLU  18           HB3      GLU  18   6.433   0.788   5.670
  134    HG2  GLU  18           HG2      GLU  18   6.086  -0.480   8.374
  135    HG3  GLU  18           HG3      GLU  18   7.310  -0.971   7.212
  136    H    CYS  19           H        CYS  19   3.342  -0.379   5.492
  137    HA   CYS  19           HA       CYS  19   3.119   0.991   3.065
  138    HB2  CYS  19           HB2      CYS  19   1.573  -1.406   4.051
  139    HB3  CYS  19           HB3      CYS  19   1.507  -0.712   2.445
  140    H    LYS  20           H        LYS  20   0.764   0.580   5.703
  141    HA   LYS  20           HA       LYS  20  -1.398   1.721   4.347
  142    HB2  LYS  20           HB2      LYS  20  -0.878   1.854   7.344
  143    HB3  LYS  20           HB3      LYS  20  -2.426   2.124   6.565
  144    HG2  LYS  20           HG2      LYS  20  -0.916  -0.495   6.536
  145    HG3  LYS  20           HG3      LYS  20  -2.213  -0.098   7.651
  146    HD2  LYS  20           HD2      LYS  20  -2.880   0.232   4.801
  147    HD3  LYS  20           HD3      LYS  20  -2.527  -1.422   5.293
  148    HE2  LYS  20           HE2      LYS  20  -4.529   0.398   6.621
  149    HE3  LYS  20           HE3      LYS  20  -4.930  -0.854   5.452
  150    HZ1  LYS  20           HZ1      LYS  20  -3.942  -2.499   7.009
  151    HZ2  LYS  20           HZ2      LYS  20  -5.277  -1.720   7.664
  152    HZ3  LYS  20           HZ3      LYS  20  -3.744  -1.286   8.161
  153    H    LYS  21           H        LYS  21   1.192   3.151   6.281
  154    HA   LYS  21           HA       LYS  21   0.393   5.826   6.144
  155    HB2  LYS  21           HB2      LYS  21   2.213   5.145   7.587
  156    HB3  LYS  21           HB3      LYS  21   3.150   4.582   6.218
  157    HG2  LYS  21           HG2      LYS  21   4.051   6.670   7.036
  158    HG3  LYS  21           HG3      LYS  21   3.368   6.896   5.429
  159    HD2  LYS  21           HD2      LYS  21   1.362   7.884   6.404
  160    HD3  LYS  21           HD3      LYS  21   2.000   7.624   8.026
  161    HE2  LYS  21           HE2      LYS  21   2.367   9.925   7.395
  162    HE3  LYS  21           HE3      LYS  21   3.917   9.093   7.458
  163    HZ1  LYS  21           HZ1      LYS  21   3.797  10.473   5.497
  164    HZ2  LYS  21           HZ2      LYS  21   2.363   9.754   5.015
  165    HZ3  LYS  21           HZ3      LYS  21   3.802   8.858   5.025
  166    H    ALA  22           H        ALA  22   2.565   4.020   3.956
  167    HA   ALA  22           HA       ALA  22   2.933   6.172   2.159
  168    HB1  ALA  22           HB1      ALA  22   3.276   3.230   1.635
  169    HB2  ALA  22           HB2      ALA  22   4.504   4.308   2.304
  170    HB3  ALA  22           HB3      ALA  22   3.927   4.543   0.657
  171    H    CYS  23           H        CYS  23   0.819   3.342   1.947
  172    HA   CYS  23           HA       CYS  23  -0.319   3.842  -0.544
  173    HB2  CYS  23           HB2      CYS  23  -1.559   2.522   1.877
  174    HB3  CYS  23           HB3      CYS  23  -2.199   2.432   0.242
  175    H    ALA  24           H        ALA  24  -1.215   5.007   2.686
  176    HA   ALA  24           HA       ALA  24  -3.534   6.357   1.838
  177    HB1  ALA  24           HB1      ALA  24  -3.085   5.796   4.170
  178    HB2  ALA  24           HB2      ALA  24  -3.359   7.527   3.962
  179    HB3  ALA  24           HB3      ALA  24  -1.719   6.911   4.174
  180    H    ASP  25           H        ASP  25  -0.266   7.486   2.572
  181    HA   ASP  25           HA       ASP  25  -0.563  10.169   1.972
  182    HB2  ASP  25           HB2      ASP  25   1.358   9.460   3.151
  183    HB3  ASP  25           HB3      ASP  25   1.832   8.368   1.861
  184    H    ALA  26           H        ALA  26   0.272   7.553  -0.247
  185    HA   ALA  26           HA       ALA  26   0.656   9.449  -2.401
  186    HB1  ALA  26           HB1      ALA  26   2.173   7.547  -2.136
  187    HB2  ALA  26           HB2      ALA  26   1.381   7.565  -3.711
  188    HB3  ALA  26           HB3      ALA  26   0.833   6.449  -2.463
  189    H    PHE  27           H        PHE  27  -2.094   8.041  -1.126
  190    HA   PHE  27           HA       PHE  27  -3.335   8.169  -3.789
  191    HB2  PHE  27           HB2      PHE  27  -3.635   5.906  -1.855
  192    HB3  PHE  27           HB3      PHE  27  -4.848   6.236  -3.086
  193    HD1  PHE  27           HD1      PHE  27  -4.086   6.344  -5.472
  194    HD2  PHE  27           HD2      PHE  27  -1.681   4.631  -2.395
  195    HE1  PHE  27           HE1      PHE  27  -2.816   5.119  -7.138
  196    HE2  PHE  27           HE2      PHE  27  -0.442   3.412  -4.051
  197    HZ   PHE  27           HZ       PHE  27  -0.976   3.634  -6.439
  198    H    ALA  28           H        ALA  28  -3.903   8.266  -0.339
  199    HA   ALA  28           HA       ALA  28  -6.478   9.584  -0.862
  200    HB1  ALA  28           HB1      ALA  28  -6.724   7.359   0.115
  201    HB2  ALA  28           HB2      ALA  28  -7.254   8.619   1.229
  202    HB3  ALA  28           HB3      ALA  28  -5.691   7.837   1.463
  203    H    ASN  29           H        ASN  29  -3.605  10.539  -0.372
  204    HA   ASN  29           HA       ASN  29  -2.564  12.313   0.577
  205    HB2  ASN  29           HB2      ASN  29  -5.400  13.160   1.175
  206    HB3  ASN  29           HB3      ASN  29  -4.003  14.178   1.494
  207   HD21  ASN  29          HD21      ASN  29  -6.241  14.609  -0.291
  208   HD22  ASN  29          HD22      ASN  29  -5.570  14.801  -1.870
  209    H    GLY  30           H        GLY  30  -3.217   9.938   2.276
  210    HA2  GLY  30           HA2      GLY  30  -1.887   9.749   4.329
  211    HA3  GLY  30           HA3      GLY  30  -2.562  11.294   4.820
  212    H    ASP  31           H        ASP  31  -5.169   9.991   3.582
  213    HA   ASP  31           HA       ASP  31  -6.235   9.146   6.109
  214    HB2  ASP  31           HB2      ASP  31  -7.568  10.281   4.296
  215    HB3  ASP  31           HB3      ASP  31  -7.458   8.793   3.365
  216    H    GLN  32           H        GLN  32  -5.756   7.218   6.953
  217    HA   GLN  32           HA       GLN  32  -4.852   5.081   5.222
  218    HB2  GLN  32           HB2      GLN  32  -5.056   5.111   8.231
  219    HB3  GLN  32           HB3      GLN  32  -4.235   3.904   7.257
  220    HG2  GLN  32           HG2      GLN  32  -2.677   5.637   6.466
  221    HG3  GLN  32           HG3      GLN  32  -3.473   6.806   7.513
  222   HE21  GLN  32          HE21      GLN  32  -0.760   6.012   7.546
  223   HE22  GLN  32          HE22      GLN  32  -0.421   5.349   9.103
  224    H    SER  33           H        SER  33  -7.850   6.029   6.244
  225    HA   SER  33           HA       SER  33  -8.862   3.413   6.903
  226    HB2  SER  33           HB2      SER  33  -9.744   5.487   7.976
  227    HB3  SER  33           HB3      SER  33 -10.328   6.017   6.402
  228    HG   SER  33           HG       SER  33 -11.126   3.606   7.686
  229    H    LYS  34           H        LYS  34  -8.435   5.413   4.155
  230    HA   LYS  34           HA       LYS  34 -10.327   4.099   2.446
  231    HB2  LYS  34           HB2      LYS  34  -7.864   5.640   1.607
  232    HB3  LYS  34           HB3      LYS  34  -9.276   5.298   0.624
  233    HG2  LYS  34           HG2      LYS  34  -9.159   7.104   3.032
  234    HG3  LYS  34           HG3      LYS  34  -9.290   7.600   1.347
  235    HD2  LYS  34           HD2      LYS  34 -11.483   6.545   1.195
  236    HD3  LYS  34           HD3      LYS  34 -11.329   5.975   2.855
  237    HE2  LYS  34           HE2      LYS  34 -12.721   7.975   2.747
  238    HE3  LYS  34           HE3      LYS  34 -11.246   8.268   3.666
  239    HZ1  LYS  34           HZ1      LYS  34 -11.682  10.106   2.217
  240    HZ2  LYS  34           HZ2      LYS  34 -11.779   9.116   0.864
  241    HZ3  LYS  34           HZ3      LYS  34 -10.312   9.328   1.647
  242    H    ILE  35           H        ILE  35  -7.323   3.276   3.686
  243    HA   ILE  35           HA       ILE  35  -6.827   1.311   1.572
  244    HB   ILE  35           HB       ILE  35  -4.995   2.136   3.852
  245   HG12  ILE  35          HG12      ILE  35  -5.326   4.050   2.366
  246   HG13  ILE  35          HG13      ILE  35  -3.701   3.411   2.171
  247   HG21  ILE  35          HG21      ILE  35  -3.240   1.007   2.551
  248   HG22  ILE  35          HG22      ILE  35  -4.442   0.537   1.352
  249   HG23  ILE  35          HG23      ILE  35  -4.541  -0.099   2.993
  250   HD11  ILE  35          HD11      ILE  35  -6.029   2.973   0.309
  251   HD12  ILE  35          HD12      ILE  35  -4.423   2.279   0.108
  252   HD13  ILE  35          HD13      ILE  35  -4.643   4.029   0.028
  253    H    ALA  36           H        ALA  36  -7.766  -0.562   2.020
  254    HA   ALA  36           HA       ALA  36  -8.632  -1.158   4.712
  255    HB1  ALA  36           HB1      ALA  36  -8.894  -2.807   2.207
  256    HB2  ALA  36           HB2      ALA  36 -10.074  -1.636   2.787
  257    HB3  ALA  36           HB3      ALA  36  -9.732  -3.086   3.733
  258    H    LYS  37           H        LYS  37  -6.176  -2.237   2.503
  259    HA   LYS  37           HA       LYS  37  -4.854  -3.697   4.599
  260    HB2  LYS  37           HB2      LYS  37  -6.443  -5.365   3.724
  261    HB3  LYS  37           HB3      LYS  37  -5.913  -5.041   2.093
  262    HG2  LYS  37           HG2      LYS  37  -5.013  -7.152   2.887
  263    HG3  LYS  37           HG3      LYS  37  -3.716  -5.999   2.604
  264    HD2  LYS  37           HD2      LYS  37  -3.358  -7.280   4.665
  265    HD3  LYS  37           HD3      LYS  37  -3.565  -5.566   5.006
  266    HE2  LYS  37           HE2      LYS  37  -5.859  -5.947   5.693
  267    HE3  LYS  37           HE3      LYS  37  -5.737  -7.646   5.237
  268    HZ1  LYS  37           HZ1      LYS  37  -4.127  -7.980   6.948
  269    HZ2  LYS  37           HZ2      LYS  37  -5.483  -7.285   7.640
  270    HZ3  LYS  37           HZ3      LYS  37  -4.091  -6.347   7.353
  271    H    ALA  38           H        ALA  38  -2.678  -3.971   4.061
  272    HA   ALA  38           HA       ALA  38  -1.836  -3.356   1.370
  273    HB1  ALA  38           HB1      ALA  38  -0.076  -1.890   2.172
  274    HB2  ALA  38           HB2      ALA  38  -0.695  -2.022   3.823
  275    HB3  ALA  38           HB3      ALA  38  -1.665  -1.238   2.568
  276    H    GLU  39           H        GLU  39  -0.012  -4.499   0.829
  277    HA   GLU  39           HA       GLU  39   1.205  -6.192   2.857
  278    HB2  GLU  39           HB2      GLU  39  -0.833  -7.424   2.201
  279    HB3  GLU  39           HB3      GLU  39  -0.333  -7.360   0.522
  280    HG2  GLU  39           HG2      GLU  39   0.099  -9.554   1.490
  281    HG3  GLU  39           HG3      GLU  39   1.605  -8.758   1.042
  282    H    ASN  40           H        ASN  40   3.046  -7.330   2.058
  283    HA   ASN  40           HA       ASN  40   4.661  -5.752   0.346
  284    HB2  ASN  40           HB2      ASN  40   5.667  -7.112   2.101
  285    HB3  ASN  40           HB3      ASN  40   5.036  -8.578   1.362
  286   HD21  ASN  40          HD21      ASN  40   7.476  -6.099   1.176
  287   HD22  ASN  40          HD22      ASN  40   8.481  -6.912   0.040
  288    H    PHE  41           H        PHE  41   4.836  -5.764  -1.747
  289    HA   PHE  41           HA       PHE  41   3.423  -7.795  -3.310
  290    HB2  PHE  41           HB2      PHE  41   2.823  -5.480  -3.815
  291    HB3  PHE  41           HB3      PHE  41   4.510  -5.056  -4.012
  292    HD1  PHE  41           HD1      PHE  41   5.625  -5.364  -6.063
  293    HD2  PHE  41           HD2      PHE  41   1.725  -6.973  -5.522
  294    HE1  PHE  41           HE1      PHE  41   5.518  -5.843  -8.436
  295    HE2  PHE  41           HE2      PHE  41   1.600  -7.456  -7.931
  296    HZ   PHE  41           HZ       PHE  41   3.498  -6.896  -9.397
  297    H    LYS  42           H        LYS  42   6.482  -6.102  -3.002
  298    HA   LYS  42           HA       LYS  42   8.012  -8.296  -3.883
  299    HB2  LYS  42           HB2      LYS  42   7.303  -7.418  -6.089
  300    HB3  LYS  42           HB3      LYS  42   7.745  -5.794  -5.632
  301    HG2  LYS  42           HG2      LYS  42   9.324  -6.783  -7.188
  302    HG3  LYS  42           HG3      LYS  42  10.090  -6.404  -5.648
  303    HD2  LYS  42           HD2      LYS  42   9.804  -8.784  -4.997
  304    HD3  LYS  42           HD3      LYS  42   9.167  -9.114  -6.612
  305    HE2  LYS  42           HE2      LYS  42  11.288  -8.367  -7.578
  306    HE3  LYS  42           HE3      LYS  42  11.908  -8.047  -5.959
  307    HZ1  LYS  42           HZ1      LYS  42  11.686 -10.398  -5.449
  308    HZ2  LYS  42           HZ2      LYS  42  12.656 -10.185  -6.812
  309    HZ3  LYS  42           HZ3      LYS  42  11.073 -10.697  -6.990
  310    H    ASP  43           H        ASP  43  10.369  -7.439  -3.781
  311    HA   ASP  43           HA       ASP  43  10.745  -6.148  -1.324
  312    HB2  ASP  43           HB2      ASP  43  12.717  -6.507  -3.582
  313    HB3  ASP  43           HB3      ASP  43  13.118  -6.188  -1.901
  314    H    TYR  44           H        TYR  44  10.529  -4.131  -0.890
  315    HA   TYR  44           HA       TYR  44  10.500  -1.886  -0.944
  316    HB2  TYR  44           HB2      TYR  44  12.042  -2.182  -3.523
  317    HB3  TYR  44           HB3      TYR  44  11.614  -0.628  -2.822
  318    HD1  TYR  44           HD1      TYR  44  12.586   0.049  -0.664
  319    HD2  TYR  44           HD2      TYR  44  13.862  -3.461  -2.679
  320    HE1  TYR  44           HE1      TYR  44  14.613   0.033   0.694
  321    HE2  TYR  44           HE2      TYR  44  15.897  -3.510  -1.329
  322    HH   TYR  44           HH       TYR  44  17.265  -1.786  -0.109
  323    H    TYR  45           H        TYR  45   8.520  -3.677  -2.304
  324    HA   TYR  45           HA       TYR  45   6.952  -1.482  -3.429
  325    HB2  TYR  45           HB2      TYR  45   7.303  -4.210  -4.637
  326    HB3  TYR  45           HB3      TYR  45   5.963  -3.151  -5.051
  327    HD1  TYR  45           HD1      TYR  45   6.504  -0.910  -6.032
  328    HD2  TYR  45           HD2      TYR  45   9.387  -4.009  -5.740
  329    HE1  TYR  45           HE1      TYR  45   7.842   0.178  -7.792
  330    HE2  TYR  45           HE2      TYR  45  10.737  -2.941  -7.477
  331    HH   TYR  45           HH       TYR  45  10.385  -1.385  -9.359
  332    H    CYS  46           H        CYS  46   4.909  -1.478  -2.815
  333    HA   CYS  46           HA       CYS  46   4.039  -3.799  -1.238
  334    HB2  CYS  46           HB2      CYS  46   4.819  -1.804   0.177
  335    HB3  CYS  46           HB3      CYS  46   3.384  -0.975  -0.420
  336    H    ASN  47           H        ASN  47   1.890  -4.324  -1.393
  337    HA   ASN  47           HA       ASN  47   0.486  -3.143  -3.672
  338    HB2  ASN  47           HB2      ASN  47   0.859  -5.610  -3.623
  339    HB3  ASN  47           HB3      ASN  47  -0.028  -5.686  -2.108
  340   HD21  ASN  47          HD21      ASN  47  -1.490  -7.072  -2.981
  341   HD22  ASN  47          HD22      ASN  47  -2.735  -6.589  -4.073
  342    H    CYS  48           H        CYS  48  -0.896  -1.643  -3.193
  343    HA   CYS  48           HA       CYS  48  -2.019  -1.442  -0.519
  344    HB2  CYS  48           HB2      CYS  48  -2.195   0.426  -2.880
  345    HB3  CYS  48           HB3      CYS  48  -2.685   0.779  -1.226
  346    H    HIS  49           H        HIS  49  -4.149  -1.744  -0.099
  347    HA   HIS  49           HA       HIS  49  -5.856  -2.547  -2.333
  348    HB2  HIS  49           HB2      HIS  49  -6.060  -3.252   0.622
  349    HB3  HIS  49           HB3      HIS  49  -7.196  -3.762  -0.617
  350    HD1  HIS  49           HD3      HIS  49  -6.827  -6.177  -1.192
  351    HD2  HIS  49           HD2      HIS  49  -3.272  -4.257  -0.188
  352    HE1  HIS  49           HE1      HIS  49  -5.037  -7.923  -1.306
  353    H    ILE  50           H        ILE  50  -6.654  -0.661  -2.873
  354    HA   ILE  50           HA       ILE  50  -7.422   1.276  -0.845
  355    HB   ILE  50           HB       ILE  50  -7.667   1.620  -3.838
  356   HG12  ILE  50          HG12      ILE  50  -5.206   2.239  -2.179
  357   HG13  ILE  50          HG13      ILE  50  -5.348   0.816  -3.205
  358   HG21  ILE  50          HG21      ILE  50  -7.142   3.475  -1.539
  359   HG22  ILE  50          HG22      ILE  50  -8.703   3.277  -2.346
  360   HG23  ILE  50          HG23      ILE  50  -7.326   3.981  -3.222
  361   HD11  ILE  50          HD11      ILE  50  -5.592   2.259  -5.158
  362   HD12  ILE  50          HD12      ILE  50  -4.087   2.571  -4.295
  363   HD13  ILE  50          HD13      ILE  50  -5.448   3.680  -4.124
  364    H    ILE  51           H        ILE  51  -9.484   1.542  -0.248
  365    HA   ILE  51           HA       ILE  51 -11.552  -0.116  -1.297
  366    HB   ILE  51           HB       ILE  51 -11.761   2.290   0.559
  367   HG12  ILE  51          HG12      ILE  51 -11.573  -0.659   1.220
  368   HG13  ILE  51          HG13      ILE  51 -10.275   0.510   1.425
  369   HG21  ILE  51          HG21      ILE  51 -13.896   1.284   1.254
  370   HG22  ILE  51          HG22      ILE  51 -13.687   0.023   0.041
  371   HG23  ILE  51          HG23      ILE  51 -13.902   1.699  -0.461
  372   HD11  ILE  51          HD11      ILE  51 -12.919   0.531   2.863
  373   HD12  ILE  51          HD12      ILE  51 -11.619   1.704   3.077
  374   HD13  ILE  51          HD13      ILE  51 -11.371   0.021   3.537
  375    H    ILE  52           H        ILE  52 -13.057   0.366  -2.823
  376    HA   ILE  52           HA       ILE  52 -12.438   2.461  -4.640
  377    HB   ILE  52           HB       ILE  52 -14.896   0.683  -4.625
  378   HG12  ILE  52          HG12      ILE  52 -12.230   0.212  -5.994
  379   HG13  ILE  52          HG13      ILE  52 -12.756  -0.608  -4.529
  380   HG21  ILE  52          HG21      ILE  52 -14.886   1.121  -7.056
  381   HG22  ILE  52          HG22      ILE  52 -13.508   2.200  -6.847
  382   HG23  ILE  52          HG23      ILE  52 -15.062   2.608  -6.124
  383   HD11  ILE  52          HD11      ILE  52 -14.087  -0.775  -7.222
  384   HD12  ILE  52          HD12      ILE  52 -14.610  -1.609  -5.759
  385   HD13  ILE  52          HD13      ILE  52 -13.053  -2.004  -6.490
  386    H    HIS  53           H        HIS  53 -15.283   1.784  -2.618
  387    HA   HIS  53           HA       HIS  53 -15.761   4.643  -2.690
  388    HB2  HIS  53           HB2      HIS  53 -18.201   4.242  -2.301
  389    HB3  HIS  53           HB3      HIS  53 -17.651   3.565  -3.816
  390    HD1  HIS  53           HD3      HIS  53 -17.815   0.938  -4.042
  391    HD2  HIS  53           HD2      HIS  53 -19.144   2.469  -0.419
  392    HE1  HIS  53           HE1      HIS  53 -19.021  -0.951  -2.898
  Start of MODEL   14
    1    H1   GLU   1          1HT       GLU   1 -15.557  -1.612  -2.062
    2    H2   GLU   1          2HT       GLU   1 -14.696  -2.581  -0.956
    3    H3   GLU   1          3HT       GLU   1 -16.152  -3.147  -1.613
    4    HA   GLU   1           HA       GLU   1 -14.237  -4.182  -2.502
    5    HB2  GLU   1           HB2      GLU   1 -15.591  -2.338  -4.455
    6    HB3  GLU   1           HB3      GLU   1 -14.572  -3.696  -4.920
    7    HG2  GLU   1           HG2      GLU   1 -17.155  -3.828  -3.385
    8    HG3  GLU   1           HG3      GLU   1 -16.832  -4.346  -5.044
    9    H    GLU   2           H        GLU   2 -12.305  -4.192  -3.119
   10    HA   GLU   2           HA       GLU   2 -10.864  -1.649  -2.862
   11    HB2  GLU   2           HB2      GLU   2 -10.012  -4.353  -1.796
   12    HB3  GLU   2           HB3      GLU   2  -9.137  -2.843  -1.639
   13    HG2  GLU   2           HG2      GLU   2 -10.141  -3.356   0.469
   14    HG3  GLU   2           HG3      GLU   2 -10.997  -1.976  -0.211
   15    H    THR   3           H        THR   3  -9.135  -1.392  -4.202
   16    HA   THR   3           HA       THR   3  -8.633  -3.579  -6.076
   17    HB   THR   3           HB       THR   3  -8.409  -0.600  -6.535
   18    HG1  THR   3           HG1      THR   3 -10.444  -2.137  -6.638
   19   HG21  THR   3          HG21      THR   3  -7.840  -1.194  -8.870
   20   HG22  THR   3          HG22      THR   3  -7.813  -2.898  -8.419
   21   HG23  THR   3          HG23      THR   3  -6.623  -1.790  -7.741
   22    H    GLU   4           H        GLU   4  -6.724  -4.416  -6.105
   23    HA   GLU   4           HA       GLU   4  -4.661  -3.632  -4.351
   24    HB2  GLU   4           HB2      GLU   4  -4.684  -5.615  -6.641
   25    HB3  GLU   4           HB3      GLU   4  -3.417  -5.464  -5.441
   26    HG2  GLU   4           HG2      GLU   4  -4.736  -7.365  -4.894
   27    HG3  GLU   4           HG3      GLU   4  -5.072  -6.121  -3.702
   28    H    GLU   5           H        GLU   5  -3.339  -2.056  -4.738
   29    HA   GLU   5           HA       GLU   5  -2.426  -1.480  -7.477
   30    HB2  GLU   5           HB2      GLU   5  -4.023   0.220  -6.627
   31    HB3  GLU   5           HB3      GLU   5  -2.993   0.473  -5.234
   32    HG2  GLU   5           HG2      GLU   5  -2.688   2.264  -6.789
   33    HG3  GLU   5           HG3      GLU   5  -1.221   1.296  -6.730
   34    HA   PRO   6           HA       PRO   6   1.324  -2.330  -5.092
   35    HB2  PRO   6           HB2      PRO   6   2.939  -2.749  -7.244
   36    HB3  PRO   6           HB3      PRO   6   1.892  -3.983  -6.539
   37    HG2  PRO   6           HG2      PRO   6   1.577  -2.453  -9.051
   38    HG3  PRO   6           HG3      PRO   6   0.934  -4.040  -8.614
   39    HD2  PRO   6           HD2      PRO   6  -0.478  -1.594  -8.638
   40    HD3  PRO   6           HD3      PRO   6  -1.032  -3.131  -7.957
   41    H    ILE   7           H        ILE   7   2.271  -0.671  -4.250
   42    HA   ILE   7           HA       ILE   7   3.030   1.624  -5.936
   43    HB   ILE   7           HB       ILE   7   2.971   3.025  -3.968
   44   HG12  ILE   7          HG12      ILE   7   2.254   0.629  -2.315
   45   HG13  ILE   7          HG13      ILE   7   3.936   1.151  -2.466
   46   HG21  ILE   7          HG21      ILE   7   0.638   1.180  -3.987
   47   HG22  ILE   7          HG22      ILE   7   0.886   2.599  -5.010
   48   HG23  ILE   7          HG23      ILE   7   0.731   2.776  -3.244
   49   HD11  ILE   7          HD11      ILE   7   1.637   2.745  -1.398
   50   HD12  ILE   7          HD12      ILE   7   3.295   3.319  -1.594
   51   HD13  ILE   7          HD13      ILE   7   2.944   2.012  -0.449
   52    H    ARG   8           H        ARG   8   4.974   2.723  -5.363
   53    HA   ARG   8           HA       ARG   8   7.212   0.933  -4.937
   54    HB2  ARG   8           HB2      ARG   8   7.138   3.938  -5.274
   55    HB3  ARG   8           HB3      ARG   8   8.545   2.900  -5.415
   56    HG2  ARG   8           HG2      ARG   8   7.708   1.946  -7.441
   57    HG3  ARG   8           HG3      ARG   8   6.176   2.807  -7.261
   58    HD2  ARG   8           HD2      ARG   8   8.882   4.086  -7.591
   59    HD3  ARG   8           HD3      ARG   8   7.671   3.934  -8.865
   60    HE   ARG   8           HE       ARG   8   6.416   5.207  -6.784
   61   HH11  ARG   8          HH11      ARG   8   9.254   5.928  -8.784
   62   HH12  ARG   8          HH12      ARG   8   9.044   7.617  -8.720
   63   HH21  ARG   8          HH21      ARG   8   6.132   7.558  -6.713
   64   HH22  ARG   8          HH22      ARG   8   7.238   8.553  -7.537
   65    H    HIS   9           H        HIS   9   8.419   0.925  -3.018
   66    HA   HIS   9           HA       HIS   9   7.600   2.850  -0.970
   67    HB2  HIS   9           HB2      HIS   9   6.753   0.455  -0.624
   68    HB3  HIS   9           HB3      HIS   9   8.441  -0.003  -0.412
   69    HD1  HIS   9           HD3      HIS   9   9.228   0.078   1.982
   70    HD2  HIS   9           HD2      HIS   9   5.942   2.507   1.269
   71    HE1  HIS   9           HE1      HIS   9   8.553   1.089   4.231
   72    H    ALA  10           H        ALA  10   9.310   3.681   0.253
   73    HA   ALA  10           HA       ALA  10  11.888   3.455  -1.060
   74    HB1  ALA  10           HB1      ALA  10  10.964   5.662  -0.532
   75    HB2  ALA  10           HB2      ALA  10  12.532   5.386   0.229
   76    HB3  ALA  10           HB3      ALA  10  11.056   5.274   1.188
   77    H    LYS  11           H        LYS  11  10.691   1.455   1.066
   78    HA   LYS  11           HA       LYS  11  13.186   1.187   2.531
   79    HB2  LYS  11           HB2      LYS  11  11.478   2.271   3.966
   80    HB3  LYS  11           HB3      LYS  11  10.388   0.949   3.614
   81    HG2  LYS  11           HG2      LYS  11  11.738  -0.573   4.864
   82    HG3  LYS  11           HG3      LYS  11  12.980   0.668   5.113
   83    HD2  LYS  11           HD2      LYS  11  11.380   2.045   6.322
   84    HD3  LYS  11           HD3      LYS  11  10.118   0.854   6.038
   85    HE2  LYS  11           HE2      LYS  11  11.317  -0.766   7.392
   86    HE3  LYS  11           HE3      LYS  11  12.638   0.385   7.618
   87    HZ1  LYS  11           HZ1      LYS  11  11.243   1.807   8.858
   88    HZ2  LYS  11           HZ2      LYS  11  10.969   0.264   9.488
   89    HZ3  LYS  11           HZ3      LYS  11   9.855   0.973   8.425
   90    H    LYS  12           H        LYS  12  13.845  -0.857   2.617
   91    HA   LYS  12           HA       LYS  12  13.304  -2.444   0.470
   92    HB2  LYS  12           HB2      LYS  12  15.389  -2.394   1.743
   93    HB3  LYS  12           HB3      LYS  12  14.613  -3.292   3.037
   94    HG2  LYS  12           HG2      LYS  12  14.266  -5.161   1.496
   95    HG3  LYS  12           HG3      LYS  12  15.093  -4.252   0.230
   96    HD2  LYS  12           HD2      LYS  12  17.109  -4.167   1.595
   97    HD3  LYS  12           HD3      LYS  12  16.282  -5.049   2.881
   98    HE2  LYS  12           HE2      LYS  12  16.875  -6.057   0.107
   99    HE3  LYS  12           HE3      LYS  12  17.687  -6.542   1.590
  100    HZ1  LYS  12           HZ1      LYS  12  15.487  -7.348   2.385
  101    HZ2  LYS  12           HZ2      LYS  12  16.111  -8.177   1.050
  102    HZ3  LYS  12           HZ3      LYS  12  14.859  -7.083   0.827
  103    H    ASN  13           H        ASN  13  12.277  -3.163   3.791
  104    HA   ASN  13           HA       ASN  13  10.348  -4.988   2.574
  105    HB2  ASN  13           HB2      ASN  13  11.984  -5.825   4.978
  106    HB3  ASN  13           HB3      ASN  13  10.671  -6.745   4.262
  107   HD21  ASN  13          HD21      ASN  13  10.995  -7.621   2.128
  108   HD22  ASN  13          HD22      ASN  13  12.578  -7.845   1.505
  109    HA   PRO  14           HA       PRO  14   8.108  -2.589   5.561
  110    HB2  PRO  14           HB2      PRO  14   6.148  -1.864   3.893
  111    HB3  PRO  14           HB3      PRO  14   7.707  -1.038   3.939
  112    HG2  PRO  14           HG2      PRO  14   6.620  -2.892   1.912
  113    HG3  PRO  14           HG3      PRO  14   7.827  -1.611   1.736
  114    HD2  PRO  14           HD2      PRO  14   8.274  -4.400   1.996
  115    HD3  PRO  14           HD3      PRO  14   9.486  -3.106   1.951
  116    H    SER  15           H        SER  15   6.629  -3.408   6.854
  117    HA   SER  15           HA       SER  15   5.016  -5.658   6.003
  118    HB2  SER  15           HB2      SER  15   5.322  -4.350   8.722
  119    HB3  SER  15           HB3      SER  15   4.522  -5.888   8.389
  120    HG   SER  15           HG       SER  15   7.220  -5.259   8.489
  121    H    GLU  16           H        GLU  16   2.658  -5.382   7.260
  122    HA   GLU  16           HA       GLU  16   1.240  -3.682   5.636
  123    HB2  GLU  16           HB2      GLU  16   0.469  -4.944   8.225
  124    HB3  GLU  16           HB3      GLU  16  -0.641  -3.943   7.304
  125    HG2  GLU  16           HG2      GLU  16  -0.401  -5.455   5.404
  126    HG3  GLU  16           HG3      GLU  16   0.676  -6.473   6.362
  127    H    GLY  17           H        GLY  17   2.510  -2.869   8.850
  128    HA2  GLY  17           HA2      GLY  17   0.982  -0.506   9.177
  129    HA3  GLY  17           HA3      GLY  17   2.524  -0.837   9.961
  130    H    GLU  18           H        GLU  18   4.284  -0.953   8.080
  131    HA   GLU  18           HA       GLU  18   4.893   1.640   7.258
  132    HB2  GLU  18           HB2      GLU  18   5.786  -0.948   5.979
  133    HB3  GLU  18           HB3      GLU  18   6.549   0.614   5.756
  134    HG2  GLU  18           HG2      GLU  18   6.371  -0.891   8.352
  135    HG3  GLU  18           HG3      GLU  18   7.774  -0.838   7.293
  136    H    CYS  19           H        CYS  19   3.567  -1.069   5.398
  137    HA   CYS  19           HA       CYS  19   3.287   0.301   3.004
  138    HB2  CYS  19           HB2      CYS  19   1.850  -2.142   4.015
  139    HB3  CYS  19           HB3      CYS  19   1.647  -1.508   2.386
  140    H    LYS  20           H        LYS  20   0.755  -0.223   5.540
  141    HA   LYS  20           HA       LYS  20  -1.229   1.083   4.072
  142    HB2  LYS  20           HB2      LYS  20  -0.971   0.774   7.063
  143    HB3  LYS  20           HB3      LYS  20  -2.355   1.529   6.300
  144    HG2  LYS  20           HG2      LYS  20  -2.693  -0.644   5.044
  145    HG3  LYS  20           HG3      LYS  20  -1.478  -1.346   6.120
  146    HD2  LYS  20           HD2      LYS  20  -2.812  -0.719   8.052
  147    HD3  LYS  20           HD3      LYS  20  -4.012   0.026   7.002
  148    HE2  LYS  20           HE2      LYS  20  -4.901  -2.080   7.604
  149    HE3  LYS  20           HE3      LYS  20  -4.313  -2.266   5.954
  150    HZ1  LYS  20           HZ1      LYS  20  -2.299  -3.346   6.896
  151    HZ2  LYS  20           HZ2      LYS  20  -3.716  -4.151   7.325
  152    HZ3  LYS  20           HZ3      LYS  20  -2.969  -3.155   8.431
  153    H    LYS  21           H        LYS  21   1.172   2.391   6.294
  154    HA   LYS  21           HA       LYS  21   0.190   5.032   6.320
  155    HB2  LYS  21           HB2      LYS  21   1.982   4.034   7.826
  156    HB3  LYS  21           HB3      LYS  21   3.104   4.191   6.494
  157    HG2  LYS  21           HG2      LYS  21   1.675   6.524   7.786
  158    HG3  LYS  21           HG3      LYS  21   3.275   5.973   8.260
  159    HD2  LYS  21           HD2      LYS  21   4.066   6.450   5.963
  160    HD3  LYS  21           HD3      LYS  21   2.463   7.054   5.556
  161    HE2  LYS  21           HE2      LYS  21   4.286   8.198   7.682
  162    HE3  LYS  21           HE3      LYS  21   4.033   8.875   6.077
  163    HZ1  LYS  21           HZ1      LYS  21   1.711   9.252   6.638
  164    HZ2  LYS  21           HZ2      LYS  21   2.705  10.015   7.736
  165    HZ3  LYS  21           HZ3      LYS  21   1.934   8.598   8.172
  166    H    ALA  22           H        ALA  22   2.542   3.421   4.217
  167    HA   ALA  22           HA       ALA  22   3.119   5.664   2.612
  168    HB1  ALA  22           HB1      ALA  22   3.356   2.743   1.913
  169    HB2  ALA  22           HB2      ALA  22   4.584   3.712   2.729
  170    HB3  ALA  22           HB3      ALA  22   4.130   4.080   1.065
  171    H    CYS  23           H        CYS  23   0.890   2.957   2.157
  172    HA   CYS  23           HA       CYS  23  -0.162   3.593  -0.334
  173    HB2  CYS  23           HB2      CYS  23  -1.543   2.326   2.037
  174    HB3  CYS  23           HB3      CYS  23  -2.169   2.325   0.397
  175    H    ALA  24           H        ALA  24  -1.150   4.675   2.888
  176    HA   ALA  24           HA       ALA  24  -3.377   6.178   2.126
  177    HB1  ALA  24           HB1      ALA  24  -3.104   7.263   4.281
  178    HB2  ALA  24           HB2      ALA  24  -1.461   6.634   4.399
  179    HB3  ALA  24           HB3      ALA  24  -2.830   5.524   4.423
  180    H    ASP  25           H        ASP  25  -0.116   7.197   2.927
  181    HA   ASP  25           HA       ASP  25  -0.245   9.891   2.323
  182    HB2  ASP  25           HB2      ASP  25   1.582   8.895   3.541
  183    HB3  ASP  25           HB3      ASP  25   2.055   7.956   2.140
  184    H    ALA  26           H        ALA  26   0.413   7.190   0.173
  185    HA   ALA  26           HA       ALA  26   1.127   8.834  -2.039
  186    HB1  ALA  26           HB1      ALA  26   1.283   6.783  -3.305
  187    HB2  ALA  26           HB2      ALA  26   0.476   5.898  -2.011
  188    HB3  ALA  26           HB3      ALA  26   2.072   6.596  -1.739
  189    H    PHE  27           H        PHE  27  -1.925   7.571  -0.866
  190    HA   PHE  27           HA       PHE  27  -3.039   8.330  -3.478
  191    HB2  PHE  27           HB2      PHE  27  -3.765   5.925  -1.870
  192    HB3  PHE  27           HB3      PHE  27  -4.855   6.592  -3.084
  193    HD1  PHE  27           HD1      PHE  27  -2.055   4.456  -2.510
  194    HD2  PHE  27           HD2      PHE  27  -3.924   6.946  -5.424
  195    HE1  PHE  27           HE1      PHE  27  -0.874   3.296  -4.258
  196    HE2  PHE  27           HE2      PHE  27  -2.712   5.778  -7.197
  197    HZ   PHE  27           HZ       PHE  27  -1.174   3.944  -6.625
  198    H    ALA  28           H        ALA  28  -3.812   8.135  -0.076
  199    HA   ALA  28           HA       ALA  28  -6.097   9.885  -0.633
  200    HB1  ALA  28           HB1      ALA  28  -6.962   9.186   1.528
  201    HB2  ALA  28           HB2      ALA  28  -5.511   8.228   1.821
  202    HB3  ALA  28           HB3      ALA  28  -6.618   7.778   0.522
  203    H    ASN  29           H        ASN  29  -3.100  10.308  -0.265
  204    HA   ASN  29           HA       ASN  29  -1.714  11.953   0.374
  205    HB2  ASN  29           HB2      ASN  29  -4.263  13.426   1.060
  206    HB3  ASN  29           HB3      ASN  29  -2.666  14.158   0.979
  207   HD21  ASN  29          HD21      ASN  29  -1.773  14.559  -1.005
  208   HD22  ASN  29          HD22      ASN  29  -2.660  14.434  -2.485
  209    H    GLY  30           H        GLY  30  -3.125  10.112   2.500
  210    HA2  GLY  30           HA2      GLY  30  -1.505  10.141   4.555
  211    HA3  GLY  30           HA3      GLY  30  -2.365  11.643   4.867
  212    H    ASP  31           H        ASP  31  -4.890  10.467   3.754
  213    HA   ASP  31           HA       ASP  31  -5.802   9.405   6.213
  214    HB2  ASP  31           HB2      ASP  31  -7.399  10.652   4.937
  215    HB3  ASP  31           HB3      ASP  31  -7.193   9.601   3.540
  216    H    GLN  32           H        GLN  32  -5.572   7.451   6.942
  217    HA   GLN  32           HA       GLN  32  -4.751   5.346   5.114
  218    HB2  GLN  32           HB2      GLN  32  -5.036   5.170   8.113
  219    HB3  GLN  32           HB3      GLN  32  -4.185   4.048   7.063
  220    HG2  GLN  32           HG2      GLN  32  -2.616   5.897   6.488
  221    HG3  GLN  32           HG3      GLN  32  -3.429   6.878   7.701
  222   HE21  GLN  32          HE21      GLN  32  -0.702   6.108   7.624
  223   HE22  GLN  32          HE22      GLN  32  -0.366   5.189   9.043
  224    H    SER  33           H        SER  33  -7.635   6.461   6.317
  225    HA   SER  33           HA       SER  33  -8.939   4.024   6.945
  226    HB2  SER  33           HB2      SER  33 -10.309   6.510   6.004
  227    HB3  SER  33           HB3      SER  33 -10.831   5.359   7.240
  228    HG   SER  33           HG       SER  33  -9.175   7.512   7.342
  229    H    LYS  34           H        LYS  34  -8.416   5.902   4.034
  230    HA   LYS  34           HA       LYS  34 -10.366   4.615   2.415
  231    HB2  LYS  34           HB2      LYS  34  -9.312   6.908   2.071
  232    HB3  LYS  34           HB3      LYS  34  -7.888   6.068   1.486
  233    HG2  LYS  34           HG2      LYS  34  -9.220   6.834  -0.373
  234    HG3  LYS  34           HG3      LYS  34  -9.225   5.065  -0.290
  235    HD2  LYS  34           HD2      LYS  34 -11.422   5.047   0.695
  236    HD3  LYS  34           HD3      LYS  34 -11.412   6.803   0.860
  237    HE2  LYS  34           HE2      LYS  34 -11.344   5.292  -1.745
  238    HE3  LYS  34           HE3      LYS  34 -12.792   5.991  -1.031
  239    HZ1  LYS  34           HZ1      LYS  34 -10.390   7.510  -1.930
  240    HZ2  LYS  34           HZ2      LYS  34 -11.740   8.181  -1.192
  241    HZ3  LYS  34           HZ3      LYS  34 -11.884   7.472  -2.695
  242    H    ILE  35           H        ILE  35  -7.328   3.731   3.539
  243    HA   ILE  35           HA       ILE  35  -6.942   1.698   1.474
  244    HB   ILE  35           HB       ILE  35  -5.132   2.409   3.806
  245   HG12  ILE  35          HG12      ILE  35  -5.239   4.282   2.235
  246   HG13  ILE  35          HG13      ILE  35  -3.668   3.498   2.130
  247   HG21  ILE  35          HG21      ILE  35  -3.432   1.065   2.617
  248   HG22  ILE  35          HG22      ILE  35  -4.640   0.639   1.402
  249   HG23  ILE  35          HG23      ILE  35  -4.844   0.105   3.060
  250   HD11  ILE  35          HD11      ILE  35  -4.475   4.104  -0.069
  251   HD12  ILE  35          HD12      ILE  35  -5.959   3.194   0.197
  252   HD13  ILE  35          HD13      ILE  35  -4.416   2.346   0.082
  253    H    ALA  36           H        ALA  36  -7.826  -0.170   1.853
  254    HA   ALA  36           HA       ALA  36  -8.892  -0.751   4.476
  255    HB1  ALA  36           HB1      ALA  36 -10.292  -1.101   2.533
  256    HB2  ALA  36           HB2      ALA  36  -9.957  -2.646   3.333
  257    HB3  ALA  36           HB3      ALA  36  -9.096  -2.205   1.863
  258    H    LYS  37           H        LYS  37  -6.919  -2.476   2.095
  259    HA   LYS  37           HA       LYS  37  -5.744  -4.005   4.320
  260    HB2  LYS  37           HB2      LYS  37  -6.201  -5.008   1.500
  261    HB3  LYS  37           HB3      LYS  37  -5.613  -5.928   2.863
  262    HG2  LYS  37           HG2      LYS  37  -7.761  -5.861   3.917
  263    HG3  LYS  37           HG3      LYS  37  -8.364  -4.737   2.690
  264    HD2  LYS  37           HD2      LYS  37  -8.004  -6.440   0.963
  265    HD3  LYS  37           HD3      LYS  37  -7.430  -7.560   2.193
  266    HE2  LYS  37           HE2      LYS  37 -10.198  -6.362   2.069
  267    HE3  LYS  37           HE3      LYS  37  -9.768  -7.980   1.529
  268    HZ1  LYS  37           HZ1      LYS  37  -9.632  -6.950   4.316
  269    HZ2  LYS  37           HZ2      LYS  37  -9.075  -8.459   3.840
  270    HZ3  LYS  37           HZ3      LYS  37 -10.718  -8.092   3.701
  271    H    ALA  38           H        ALA  38  -3.599  -4.950   3.627
  272    HA   ALA  38           HA       ALA  38  -2.199  -3.602   1.530
  273    HB1  ALA  38           HB1      ALA  38  -0.421  -2.757   2.993
  274    HB2  ALA  38           HB2      ALA  38  -1.362  -3.233   4.411
  275    HB3  ALA  38           HB3      ALA  38  -1.965  -1.973   3.329
  276    H    GLU  39           H        GLU  39  -0.437  -4.769   0.928
  277    HA   GLU  39           HA       GLU  39   0.331  -7.089   2.523
  278    HB2  GLU  39           HB2      GLU  39  -1.423  -7.845   0.971
  279    HB3  GLU  39           HB3      GLU  39  -0.550  -7.153  -0.381
  280    HG2  GLU  39           HG2      GLU  39   1.273  -8.747  -0.003
  281    HG3  GLU  39           HG3      GLU  39   0.374  -9.424   1.352
  282    H    ASN  40           H        ASN  40   2.517  -7.703   2.061
  283    HA   ASN  40           HA       ASN  40   4.083  -5.659   0.809
  284    HB2  ASN  40           HB2      ASN  40   5.094  -6.942   2.648
  285    HB3  ASN  40           HB3      ASN  40   4.861  -8.443   1.755
  286   HD21  ASN  40          HD21      ASN  40   6.765  -5.544   2.011
  287   HD22  ASN  40          HD22      ASN  40   8.000  -6.047   0.910
  288    H    PHE  41           H        PHE  41   4.530  -5.530  -1.266
  289    HA   PHE  41           HA       PHE  41   3.378  -7.566  -2.985
  290    HB2  PHE  41           HB2      PHE  41   2.875  -5.235  -3.503
  291    HB3  PHE  41           HB3      PHE  41   4.586  -4.865  -3.602
  292    HD1  PHE  41           HD1      PHE  41   1.789  -6.594  -5.269
  293    HD2  PHE  41           HD2      PHE  41   5.847  -5.333  -5.566
  294    HE1  PHE  41           HE1      PHE  41   1.773  -7.072  -7.680
  295    HE2  PHE  41           HE2      PHE  41   5.853  -5.810  -7.931
  296    HZ   PHE  41           HZ       PHE  41   3.799  -6.676  -9.023
  297    H    LYS  42           H        LYS  42   6.491  -6.109  -2.236
  298    HA   LYS  42           HA       LYS  42   8.044  -8.299  -3.007
  299    HB2  LYS  42           HB2      LYS  42   7.190  -7.412  -5.275
  300    HB3  LYS  42           HB3      LYS  42   8.031  -5.925  -4.917
  301    HG2  LYS  42           HG2      LYS  42   9.296  -7.214  -6.448
  302    HG3  LYS  42           HG3      LYS  42  10.143  -7.142  -4.915
  303    HD2  LYS  42           HD2      LYS  42  10.337  -9.393  -5.751
  304    HD3  LYS  42           HD3      LYS  42   9.210  -9.434  -4.405
  305    HE2  LYS  42           HE2      LYS  42   8.146  -9.120  -7.184
  306    HE3  LYS  42           HE3      LYS  42   8.689 -10.704  -6.660
  307    HZ1  LYS  42           HZ1      LYS  42   6.557  -9.123  -5.245
  308    HZ2  LYS  42           HZ2      LYS  42   7.055 -10.707  -4.956
  309    HZ3  LYS  42           HZ3      LYS  42   6.328 -10.328  -6.396
  310    H    ASP  43           H        ASP  43  10.471  -7.338  -2.950
  311    HA   ASP  43           HA       ASP  43  10.734  -5.614  -0.743
  312    HB2  ASP  43           HB2      ASP  43  12.755  -6.280  -2.926
  313    HB3  ASP  43           HB3      ASP  43  13.128  -5.305  -1.522
  314    H    TYR  44           H        TYR  44  10.725  -3.511  -0.581
  315    HA   TYR  44           HA       TYR  44  10.457  -1.321  -1.052
  316    HB2  TYR  44           HB2      TYR  44  11.859  -2.085  -3.620
  317    HB3  TYR  44           HB3      TYR  44  11.328  -0.442  -3.295
  318    HD1  TYR  44           HD1      TYR  44  13.790  -3.014  -2.506
  319    HD2  TYR  44           HD2      TYR  44  12.364   0.859  -1.538
  320    HE1  TYR  44           HE1      TYR  44  15.863  -2.572  -1.295
  321    HE2  TYR  44           HE2      TYR  44  14.428   1.338  -0.317
  322    HH   TYR  44           HH       TYR  44  17.192  -0.609  -0.536
  323    H    TYR  45           H        TYR  45   8.372  -3.423  -1.927
  324    HA   TYR  45           HA       TYR  45   6.709  -1.430  -3.263
  325    HB2  TYR  45           HB2      TYR  45   7.096  -4.258  -4.208
  326    HB3  TYR  45           HB3      TYR  45   5.710  -3.280  -4.659
  327    HD1  TYR  45           HD1      TYR  45   6.114  -1.156  -5.933
  328    HD2  TYR  45           HD2      TYR  45   9.143  -4.086  -5.395
  329    HE1  TYR  45           HE1      TYR  45   7.337  -0.234  -7.848
  330    HE2  TYR  45           HE2      TYR  45  10.379  -3.172  -7.300
  331    HH   TYR  45           HH       TYR  45   9.692  -0.188  -8.659
  332    H    CYS  46           H        CYS  46   4.688  -1.371  -2.627
  333    HA   CYS  46           HA       CYS  46   3.758  -3.467  -0.772
  334    HB2  CYS  46           HB2      CYS  46   3.279  -0.488  -0.585
  335    HB3  CYS  46           HB3      CYS  46   2.367  -1.676   0.335
  336    H    ASN  47           H        ASN  47   1.746  -4.246  -1.087
  337    HA   ASN  47           HA       ASN  47   0.367  -3.271  -3.460
  338    HB2  ASN  47           HB2      ASN  47   0.847  -5.730  -3.280
  339    HB3  ASN  47           HB3      ASN  47  -0.142  -5.766  -1.823
  340   HD21  ASN  47          HD21      ASN  47  -1.603  -7.193  -2.726
  341   HD22  ASN  47          HD22      ASN  47  -2.730  -6.708  -3.934
  342    H    CYS  48           H        CYS  48  -0.993  -1.747  -3.017
  343    HA   CYS  48           HA       CYS  48  -2.167  -1.511  -0.376
  344    HB2  CYS  48           HB2      CYS  48  -2.254   0.302  -2.772
  345    HB3  CYS  48           HB3      CYS  48  -2.756   0.697  -1.130
  346    H    HIS  49           H        HIS  49  -4.348  -1.770  -0.020
  347    HA   HIS  49           HA       HIS  49  -5.921  -2.478  -2.372
  348    HB2  HIS  49           HB2      HIS  49  -6.283  -3.217   0.522
  349    HB3  HIS  49           HB3      HIS  49  -7.408  -3.669  -0.757
  350    HD1  HIS  49           HD3      HIS  49  -7.028  -6.012  -1.618
  351    HD2  HIS  49           HD2      HIS  49  -3.569  -4.335  -0.048
  352    HE1  HIS  49           HE1      HIS  49  -5.318  -7.828  -1.654
  353    H    ILE  50           H        ILE  50  -6.610  -0.597  -2.927
  354    HA   ILE  50           HA       ILE  50  -7.370   1.386  -0.946
  355    HB   ILE  50           HB       ILE  50  -7.551   1.689  -3.944
  356   HG12  ILE  50          HG12      ILE  50  -5.102   2.245  -2.249
  357   HG13  ILE  50          HG13      ILE  50  -5.274   0.826  -3.274
  358   HG21  ILE  50          HG21      ILE  50  -8.556   3.420  -2.521
  359   HG22  ILE  50          HG22      ILE  50  -7.114   4.049  -3.346
  360   HG23  ILE  50          HG23      ILE  50  -7.026   3.556  -1.650
  361   HD11  ILE  50          HD11      ILE  50  -3.944   2.543  -4.345
  362   HD12  ILE  50          HD12      ILE  50  -5.283   3.684  -4.206
  363   HD13  ILE  50          HD13      ILE  50  -5.439   2.256  -5.233
  364    H    ILE  51           H        ILE  51  -9.467   1.936  -0.538
  365    HA   ILE  51           HA       ILE  51 -11.536   0.268  -1.558
  366    HB   ILE  51           HB       ILE  51 -11.727   2.820   0.084
  367   HG12  ILE  51          HG12      ILE  51 -11.850  -0.085   0.942
  368   HG13  ILE  51          HG13      ILE  51 -10.466   0.976   1.167
  369   HG21  ILE  51          HG21      ILE  51 -13.999   2.068   0.629
  370   HG22  ILE  51          HG22      ILE  51 -13.805   0.681  -0.441
  371   HG23  ILE  51          HG23      ILE  51 -13.820   2.313  -1.108
  372   HD11  ILE  51          HD11      ILE  51 -11.735   0.729   3.217
  373   HD12  ILE  51          HD12      ILE  51 -13.185   1.315   2.405
  374   HD13  ILE  51          HD13      ILE  51 -11.810   2.393   2.638
  375    H    ILE  52           H        ILE  52 -12.365   0.483  -3.447
  376    HA   ILE  52           HA       ILE  52 -12.198   3.061  -4.832
  377    HB   ILE  52           HB       ILE  52 -12.486   0.244  -5.885
  378   HG12  ILE  52          HG12      ILE  52 -10.238   0.708  -5.106
  379   HG13  ILE  52          HG13      ILE  52 -10.254   0.621  -6.862
  380   HG21  ILE  52          HG21      ILE  52 -12.231   1.189  -8.130
  381   HG22  ILE  52          HG22      ILE  52 -12.361   2.811  -7.435
  382   HG23  ILE  52          HG23      ILE  52 -13.724   1.700  -7.339
  383   HD11  ILE  52          HD11      ILE  52 -10.139   3.133  -5.196
  384   HD12  ILE  52          HD12      ILE  52 -10.213   3.080  -6.956
  385   HD13  ILE  52          HD13      ILE  52  -8.818   2.409  -6.111
  386    H    HIS  53           H        HIS  53 -14.386   0.584  -3.726
  387    HA   HIS  53           HA       HIS  53 -16.598   2.288  -4.431
  388    HB2  HIS  53           HB2      HIS  53 -16.185   0.598  -6.305
  389    HB3  HIS  53           HB3      HIS  53 -16.579  -0.656  -5.138
  390    HD1  HIS  53           HD3      HIS  53 -19.060  -1.090  -4.712
  391    HD2  HIS  53           HD2      HIS  53 -18.319   2.284  -7.009
  392    HE1  HIS  53           HE1      HIS  53 -21.311  -0.349  -5.599
  Start of MODEL   15
    1    H1   GLU   1          1HT       GLU   1 -10.516  -6.751  -3.313
    2    H2   GLU   1          2HT       GLU   1 -11.740  -7.783  -2.818
    3    H3   GLU   1          3HT       GLU   1 -11.520  -6.274  -2.052
    4    HA   GLU   1           HA       GLU   1 -12.331  -6.594  -4.867
    5    HB2  GLU   1           HB2      GLU   1 -13.900  -5.942  -2.382
    6    HB3  GLU   1           HB3      GLU   1 -14.506  -5.692  -4.016
    7    HG2  GLU   1           HG2      GLU   1 -14.094  -8.059  -4.446
    8    HG3  GLU   1           HG3      GLU   1 -13.710  -8.272  -2.746
    9    H    GLU   2           H        GLU   2 -10.170  -5.106  -3.889
   10    HA   GLU   2           HA       GLU   2 -11.179  -2.352  -4.021
   11    HB2  GLU   2           HB2      GLU   2  -8.705  -3.333  -2.567
   12    HB3  GLU   2           HB3      GLU   2  -9.285  -1.683  -2.628
   13    HG2  GLU   2           HG2      GLU   2  -9.799  -2.517  -0.464
   14    HG3  GLU   2           HG3      GLU   2 -11.319  -2.472  -1.348
   15    H    THR   3           H        THR   3  -9.373  -0.910  -4.876
   16    HA   THR   3           HA       THR   3  -8.195  -2.156  -7.175
   17    HB   THR   3           HB       THR   3  -7.825   0.626  -6.069
   18    HG1  THR   3           HG1      THR   3  -9.704   1.064  -6.981
   19   HG21  THR   3          HG21      THR   3  -7.317  -0.449  -8.854
   20   HG22  THR   3          HG22      THR   3  -6.075  -0.061  -7.672
   21   HG23  THR   3          HG23      THR   3  -7.085   1.221  -8.338
   22    H    GLU   4           H        GLU   4  -6.474  -3.306  -6.902
   23    HA   GLU   4           HA       GLU   4  -4.738  -2.896  -4.646
   24    HB2  GLU   4           HB2      GLU   4  -4.812  -5.006  -6.784
   25    HB3  GLU   4           HB3      GLU   4  -3.590  -4.946  -5.519
   26    HG2  GLU   4           HG2      GLU   4  -5.306  -5.152  -3.816
   27    HG3  GLU   4           HG3      GLU   4  -6.553  -5.148  -5.060
   28    H    GLU   5           H        GLU   5  -3.430  -1.364  -4.799
   29    HA   GLU   5           HA       GLU   5  -2.039  -0.754  -7.311
   30    HB2  GLU   5           HB2      GLU   5  -2.685   0.858  -4.870
   31    HB3  GLU   5           HB3      GLU   5  -1.549   1.428  -6.073
   32    HG2  GLU   5           HG2      GLU   5  -4.419   0.714  -6.599
   33    HG3  GLU   5           HG3      GLU   5  -3.812   2.349  -6.335
   34    HA   PRO   6           HA       PRO   6   1.514  -2.288  -4.897
   35    HB2  PRO   6           HB2      PRO   6   2.800  -2.542  -7.490
   36    HB3  PRO   6           HB3      PRO   6   2.449  -3.805  -6.308
   37    HG2  PRO   6           HG2      PRO   6   1.159  -3.645  -8.698
   38    HG3  PRO   6           HG3      PRO   6   0.393  -4.293  -7.237
   39    HD2  PRO   6           HD2      PRO   6   0.125  -1.582  -8.479
   40    HD3  PRO   6           HD3      PRO   6  -1.122  -2.622  -7.756
   41    H    ILE   7           H        ILE   7   2.375  -0.562  -4.071
   42    HA   ILE   7           HA       ILE   7   3.285   1.639  -5.783
   43    HB   ILE   7           HB       ILE   7   3.254   3.083  -3.794
   44   HG12  ILE   7          HG12      ILE   7   2.337   0.739  -2.168
   45   HG13  ILE   7          HG13      ILE   7   4.060   1.089  -2.308
   46   HG21  ILE   7          HG21      ILE   7   0.836   1.381  -3.978
   47   HG22  ILE   7          HG22      ILE   7   1.208   2.843  -4.908
   48   HG23  ILE   7          HG23      ILE   7   0.993   2.925  -3.148
   49   HD11  ILE   7          HD11      ILE   7   3.141   2.043  -0.308
   50   HD12  ILE   7          HD12      ILE   7   1.943   2.937  -1.278
   51   HD13  ILE   7          HD13      ILE   7   3.673   3.289  -1.449
   52    H    ARG   8           H        ARG   8   5.284   2.651  -5.273
   53    HA   ARG   8           HA       ARG   8   7.393   0.715  -4.711
   54    HB2  ARG   8           HB2      ARG   8   7.659   3.624  -5.535
   55    HB3  ARG   8           HB3      ARG   8   8.921   2.407  -5.530
   56    HG2  ARG   8           HG2      ARG   8   7.774   1.190  -7.284
   57    HG3  ARG   8           HG3      ARG   8   6.513   2.435  -7.314
   58    HD2  ARG   8           HD2      ARG   8   9.443   2.834  -7.900
   59    HD3  ARG   8           HD3      ARG   8   8.154   2.760  -9.097
   60    HE   ARG   8           HE       ARG   8   7.493   4.774  -7.312
   61   HH11  ARG   8          HH11      ARG   8  10.000   4.115  -9.738
   62   HH12  ARG   8          HH12      ARG   8  10.359   5.763 -10.000
   63   HH21  ARG   8          HH21      ARG   8   8.003   7.060  -7.718
   64   HH22  ARG   8          HH22      ARG   8   9.224   7.424  -8.854
   65    H    HIS   9           H        HIS   9   8.127   0.547  -2.695
   66    HA   HIS   9           HA       HIS   9   7.842   2.866  -0.896
   67    HB2  HIS   9           HB2      HIS   9   6.428   0.819  -0.390
   68    HB3  HIS   9           HB3      HIS   9   7.921  -0.070  -0.143
   69    HD1  HIS   9           HD3      HIS   9   9.425   0.853   1.954
   70    HD2  HIS   9           HD2      HIS   9   5.487   2.124   1.761
   71    HE1  HIS   9           HE1      HIS   9   8.872   1.739   4.242
   72    H    ALA  10           H        ALA  10   9.675   3.406   0.334
   73    HA   ALA  10           HA       ALA  10  12.145   2.212  -0.610
   74    HB1  ALA  10           HB1      ALA  10  13.285   4.111   0.422
   75    HB2  ALA  10           HB2      ALA  10  11.763   4.663   1.121
   76    HB3  ALA  10           HB3      ALA  10  11.985   4.674  -0.629
   77    H    LYS  11           H        LYS  11  11.720   0.284   0.430
   78    HA   LYS  11           HA       LYS  11  13.143  -0.158   2.801
   79    HB2  LYS  11           HB2      LYS  11  11.010   0.734   3.796
   80    HB3  LYS  11           HB3      LYS  11  10.122  -0.492   2.925
   81    HG2  LYS  11           HG2      LYS  11  10.276  -1.132   5.203
   82    HG3  LYS  11           HG3      LYS  11  11.300  -2.217   4.264
   83    HD2  LYS  11           HD2      LYS  11  13.268  -1.008   4.971
   84    HD3  LYS  11           HD3      LYS  11  12.271   0.186   5.802
   85    HE2  LYS  11           HE2      LYS  11  12.395  -2.757   6.470
   86    HE3  LYS  11           HE3      LYS  11  13.233  -1.482   7.350
   87    HZ1  LYS  11           HZ1      LYS  11  10.243  -1.660   7.105
   88    HZ2  LYS  11           HZ2      LYS  11  11.087  -0.580   8.044
   89    HZ3  LYS  11           HZ3      LYS  11  11.144  -2.227   8.382
   90    H    LYS  12           H        LYS  12  13.867  -2.265   2.423
   91    HA   LYS  12           HA       LYS  12  13.043  -3.570   0.052
   92    HB2  LYS  12           HB2      LYS  12  15.299  -3.893   1.024
   93    HB3  LYS  12           HB3      LYS  12  14.581  -4.761   2.372
   94    HG2  LYS  12           HG2      LYS  12  13.798  -6.502   0.855
   95    HG3  LYS  12           HG3      LYS  12  14.493  -5.631  -0.511
   96    HD2  LYS  12           HD2      LYS  12  16.707  -5.841   0.488
   97    HD3  LYS  12           HD3      LYS  12  16.023  -6.721   1.850
   98    HE2  LYS  12           HE2      LYS  12  15.976  -7.605  -1.037
   99    HE3  LYS  12           HE3      LYS  12  17.043  -8.235   0.212
  100    HZ1  LYS  12           HZ1      LYS  12  14.082  -8.518   0.067
  101    HZ2  LYS  12           HZ2      LYS  12  15.009  -8.965   1.413
  102    HZ3  LYS  12           HZ3      LYS  12  15.242  -9.738  -0.055
  103    H    ASN  13           H        ASN  13  12.452  -4.272   3.427
  104    HA   ASN  13           HA       ASN  13  10.104  -5.805   2.586
  105    HB2  ASN  13           HB2      ASN  13  11.767  -7.317   3.577
  106    HB3  ASN  13           HB3      ASN  13  11.842  -6.310   5.016
  107   HD21  ASN  13          HD21      ASN  13   9.909  -8.547   3.196
  108   HD22  ASN  13          HD22      ASN  13   8.798  -8.929   4.473
  109    HA   PRO  14           HA       PRO  14   8.578  -2.372   5.115
  110    HB2  PRO  14           HB2      PRO  14   6.305  -2.333   3.323
  111    HB3  PRO  14           HB3      PRO  14   7.503  -1.069   3.603
  112    HG2  PRO  14           HG2      PRO  14   7.294  -2.478   1.266
  113    HG3  PRO  14           HG3      PRO  14   8.793  -1.730   1.831
  114    HD2  PRO  14           HD2      PRO  14   7.924  -4.573   1.962
  115    HD3  PRO  14           HD3      PRO  14   9.535  -3.897   1.660
  116    H    SER  15           H        SER  15   7.269  -2.599   6.713
  117    HA   SER  15           HA       SER  15   5.791  -5.035   7.092
  118    HB2  SER  15           HB2      SER  15   5.992  -2.549   8.806
  119    HB3  SER  15           HB3      SER  15   5.362  -4.113   9.318
  120    HG   SER  15           HG       SER  15   7.975  -3.739   8.312
  121    H    GLU  16           H        GLU  16   3.486  -4.921   7.781
  122    HA   GLU  16           HA       GLU  16   1.803  -3.900   5.875
  123    HB2  GLU  16           HB2      GLU  16  -0.026  -4.268   7.550
  124    HB3  GLU  16           HB3      GLU  16   1.040  -5.641   7.291
  125    HG2  GLU  16           HG2      GLU  16   2.214  -5.168   9.338
  126    HG3  GLU  16           HG3      GLU  16   1.267  -3.703   9.574
  127    H    GLY  17           H        GLY  17   2.571  -2.376   9.016
  128    HA2  GLY  17           HA2      GLY  17   0.750  -0.235   8.710
  129    HA3  GLY  17           HA3      GLY  17   2.096  -0.297   9.836
  130    H    GLU  18           H        GLU  18   4.136  -0.659   7.920
  131    HA   GLU  18           HA       GLU  18   4.695   2.022   7.249
  132    HB2  GLU  18           HB2      GLU  18   5.939  -0.484   6.066
  133    HB3  GLU  18           HB3      GLU  18   6.617   1.133   5.979
  134    HG2  GLU  18           HG2      GLU  18   6.831   1.140   8.438
  135    HG3  GLU  18           HG3      GLU  18   6.233  -0.515   8.474
  136    H    CYS  19           H        CYS  19   3.715  -0.750   5.288
  137    HA   CYS  19           HA       CYS  19   3.412   0.571   2.859
  138    HB2  CYS  19           HB2      CYS  19   1.919  -1.852   3.915
  139    HB3  CYS  19           HB3      CYS  19   1.846  -1.276   2.274
  140    H    LYS  20           H        LYS  20   0.930  -0.178   5.300
  141    HA   LYS  20           HA       LYS  20  -1.343   0.833   4.118
  142    HB2  LYS  20           HB2      LYS  20  -1.118  -0.504   6.218
  143    HB3  LYS  20           HB3      LYS  20  -0.559   0.932   7.033
  144    HG2  LYS  20           HG2      LYS  20  -2.814   0.521   7.658
  145    HG3  LYS  20           HG3      LYS  20  -2.799   1.951   6.627
  146    HD2  LYS  20           HD2      LYS  20  -3.833   0.840   4.875
  147    HD3  LYS  20           HD3      LYS  20  -3.298  -0.746   5.432
  148    HE2  LYS  20           HE2      LYS  20  -5.709  -0.480   5.791
  149    HE3  LYS  20           HE3      LYS  20  -4.854  -0.619   7.318
  150    HZ1  LYS  20           HZ1      LYS  20  -5.052   1.838   7.548
  151    HZ2  LYS  20           HZ2      LYS  20  -6.509   1.022   7.474
  152    HZ3  LYS  20           HZ3      LYS  20  -6.019   1.862   6.143
  153    H    LYS  21           H        LYS  21   0.987   2.481   6.167
  154    HA   LYS  21           HA       LYS  21  -0.359   4.964   6.268
  155    HB2  LYS  21           HB2      LYS  21   1.245   3.923   7.887
  156    HB3  LYS  21           HB3      LYS  21   2.536   4.392   6.805
  157    HG2  LYS  21           HG2      LYS  21   2.059   6.720   7.146
  158    HG3  LYS  21           HG3      LYS  21   0.610   6.322   8.076
  159    HD2  LYS  21           HD2      LYS  21   3.412   5.530   8.839
  160    HD3  LYS  21           HD3      LYS  21   2.551   6.919   9.518
  161    HE2  LYS  21           HE2      LYS  21   0.839   5.378  10.407
  162    HE3  LYS  21           HE3      LYS  21   1.710   4.010   9.729
  163    HZ1  LYS  21           HZ1      LYS  21   2.810   5.848  11.767
  164    HZ2  LYS  21           HZ2      LYS  21   3.524   4.406  11.201
  165    HZ3  LYS  21           HZ3      LYS  21   2.119   4.349  12.095
  166    H    ALA  22           H        ALA  22   2.336   3.702   4.291
  167    HA   ALA  22           HA       ALA  22   2.853   6.141   2.932
  168    HB1  ALA  22           HB1      ALA  22   3.388   3.307   2.037
  169    HB2  ALA  22           HB2      ALA  22   4.498   4.327   2.958
  170    HB3  ALA  22           HB3      ALA  22   4.068   4.758   1.305
  171    H    CYS  23           H        CYS  23   0.878   3.317   2.187
  172    HA   CYS  23           HA       CYS  23  -0.135   4.017  -0.301
  173    HB2  CYS  23           HB2      CYS  23  -1.517   2.615   1.987
  174    HB3  CYS  23           HB3      CYS  23  -2.123   2.637   0.340
  175    H    ALA  24           H        ALA  24  -1.196   4.888   2.931
  176    HA   ALA  24           HA       ALA  24  -3.447   6.369   2.278
  177    HB1  ALA  24           HB1      ALA  24  -3.164   7.379   4.462
  178    HB2  ALA  24           HB2      ALA  24  -1.501   6.785   4.512
  179    HB3  ALA  24           HB3      ALA  24  -2.838   5.643   4.519
  180    H    ASP  25           H        ASP  25  -0.170   7.608   3.034
  181    HA   ASP  25           HA       ASP  25  -0.655  10.280   2.400
  182    HB2  ASP  25           HB2      ASP  25   1.874   8.689   2.496
  183    HB3  ASP  25           HB3      ASP  25   1.911  10.316   1.834
  184    H    ALA  26           H        ALA  26   0.461   7.723   0.280
  185    HA   ALA  26           HA       ALA  26   0.878   9.514  -1.897
  186    HB1  ALA  26           HB1      ALA  26   1.396   7.545  -3.198
  187    HB2  ALA  26           HB2      ALA  26   0.746   6.508  -1.927
  188    HB3  ALA  26           HB3      ALA  26   2.193   7.468  -1.627
  189    H    PHE  27           H        PHE  27  -1.977   8.042  -0.681
  190    HA   PHE  27           HA       PHE  27  -3.166   8.422  -3.339
  191    HB2  PHE  27           HB2      PHE  27  -3.596   6.160  -1.446
  192    HB3  PHE  27           HB3      PHE  27  -4.864   6.609  -2.585
  193    HD1  PHE  27           HD1      PHE  27  -4.410   6.570  -4.988
  194    HD2  PHE  27           HD2      PHE  27  -1.609   4.940  -2.202
  195    HE1  PHE  27           HE1      PHE  27  -3.335   5.342  -6.782
  196    HE2  PHE  27           HE2      PHE  27  -0.561   3.706  -3.996
  197    HZ   PHE  27           HZ       PHE  27  -1.398   3.891  -6.303
  198    H    ALA  28           H        ALA  28  -3.985   8.378   0.098
  199    HA   ALA  28           HA       ALA  28  -6.307  10.041  -0.548
  200    HB1  ALA  28           HB1      ALA  28  -5.816   8.329   1.882
  201    HB2  ALA  28           HB2      ALA  28  -6.812   7.892   0.492
  202    HB3  ALA  28           HB3      ALA  28  -7.284   9.243   1.522
  203    H    ASN  29           H        ASN  29  -3.408  10.691  -0.025
  204    HA   ASN  29           HA       ASN  29  -2.221  12.457   0.741
  205    HB2  ASN  29           HB2      ASN  29  -4.953  13.516   1.435
  206    HB3  ASN  29           HB3      ASN  29  -3.489  14.416   1.803
  207   HD21  ASN  29          HD21      ASN  29  -4.084  16.067   0.455
  208   HD22  ASN  29          HD22      ASN  29  -4.040  15.934  -1.266
  209    H    GLY  30           H        GLY  30  -3.285  10.242   2.624
  210    HA2  GLY  30           HA2      GLY  30  -1.711  10.121   4.626
  211    HA3  GLY  30           HA3      GLY  30  -2.496  11.622   5.102
  212    H    ASP  31           H        ASP  31  -5.079  10.584   3.960
  213    HA   ASP  31           HA       ASP  31  -6.008   9.356   6.326
  214    HB2  ASP  31           HB2      ASP  31  -7.599  10.607   5.005
  215    HB3  ASP  31           HB3      ASP  31  -7.341   9.547   3.618
  216    H    GLN  32           H        GLN  32  -5.736   7.406   6.960
  217    HA   GLN  32           HA       GLN  32  -4.742   5.395   5.128
  218    HB2  GLN  32           HB2      GLN  32  -5.201   5.220   8.107
  219    HB3  GLN  32           HB3      GLN  32  -4.268   4.106   7.123
  220    HG2  GLN  32           HG2      GLN  32  -2.615   5.833   6.683
  221    HG3  GLN  32           HG3      GLN  32  -3.572   7.004   7.583
  222   HE21  GLN  32          HE21      GLN  32  -1.410   4.307   7.793
  223   HE22  GLN  32          HE22      GLN  32  -1.198   4.366   9.496
  224    H    SER  33           H        SER  33  -7.749   6.409   5.872
  225    HA   SER  33           HA       SER  33  -9.001   3.909   6.568
  226    HB2  SER  33           HB2      SER  33 -10.336   6.485   5.795
  227    HB3  SER  33           HB3      SER  33 -10.941   5.221   6.873
  228    HG   SER  33           HG       SER  33  -9.261   7.325   7.318
  229    H    LYS  34           H        LYS  34  -8.537   5.934   3.760
  230    HA   LYS  34           HA       LYS  34 -10.385   4.684   1.986
  231    HB2  LYS  34           HB2      LYS  34  -9.443   6.927   1.606
  232    HB3  LYS  34           HB3      LYS  34  -7.844   6.238   1.462
  233    HG2  LYS  34           HG2      LYS  34  -8.726   6.889  -0.707
  234    HG3  LYS  34           HG3      LYS  34  -8.493   5.147  -0.624
  235    HD2  LYS  34           HD2      LYS  34 -10.858   4.790  -0.339
  236    HD3  LYS  34           HD3      LYS  34 -11.147   6.527  -0.195
  237    HE2  LYS  34           HE2      LYS  34 -10.462   6.879  -2.473
  238    HE3  LYS  34           HE3      LYS  34  -9.991   5.194  -2.648
  239    HZ1  LYS  34           HZ1      LYS  34 -12.166   5.696  -3.648
  240    HZ2  LYS  34           HZ2      LYS  34 -12.770   6.124  -2.143
  241    HZ3  LYS  34           HZ3      LYS  34 -12.278   4.552  -2.434
  242    H    ILE  35           H        ILE  35  -7.438   3.730   3.277
  243    HA   ILE  35           HA       ILE  35  -6.908   1.755   1.174
  244    HB   ILE  35           HB       ILE  35  -5.158   2.514   3.535
  245   HG12  ILE  35          HG12      ILE  35  -5.404   4.487   2.118
  246   HG13  ILE  35          HG13      ILE  35  -3.784   3.826   1.949
  247   HG21  ILE  35          HG21      ILE  35  -3.369   1.410   2.268
  248   HG22  ILE  35          HG22      ILE  35  -4.524   1.001   1.003
  249   HG23  ILE  35          HG23      ILE  35  -4.702   0.306   2.614
  250   HD11  ILE  35          HD11      ILE  35  -4.677   4.557  -0.187
  251   HD12  ILE  35          HD12      ILE  35  -6.057   3.471   0.008
  252   HD13  ILE  35          HD13      ILE  35  -4.434   2.809  -0.175
  253    H    ALA  36           H        ALA  36  -8.037  -0.028   1.637
  254    HA   ALA  36           HA       ALA  36  -9.082  -0.673   4.207
  255    HB1  ALA  36           HB1      ALA  36  -9.757  -2.799   3.219
  256    HB2  ALA  36           HB2      ALA  36  -8.739  -2.481   1.814
  257    HB3  ALA  36           HB3      ALA  36 -10.135  -1.455   2.143
  258    H    LYS  37           H        LYS  37  -6.425  -1.965   2.336
  259    HA   LYS  37           HA       LYS  37  -5.083  -2.843   4.721
  260    HB2  LYS  37           HB2      LYS  37  -6.557  -4.766   4.095
  261    HB3  LYS  37           HB3      LYS  37  -5.844  -4.766   2.492
  262    HG2  LYS  37           HG2      LYS  37  -3.648  -5.297   3.516
  263    HG3  LYS  37           HG3      LYS  37  -4.443  -5.376   5.088
  264    HD2  LYS  37           HD2      LYS  37  -5.838  -7.201   4.307
  265    HD3  LYS  37           HD3      LYS  37  -5.094  -7.104   2.709
  266    HE2  LYS  37           HE2      LYS  37  -2.923  -7.673   3.679
  267    HE3  LYS  37           HE3      LYS  37  -3.650  -7.738   5.281
  268    HZ1  LYS  37           HZ1      LYS  37  -4.351  -9.493   3.000
  269    HZ2  LYS  37           HZ2      LYS  37  -5.050  -9.547   4.527
  270    HZ3  LYS  37           HZ3      LYS  37  -3.431  -9.952   4.342
  271    H    ALA  38           H        ALA  38  -2.873  -3.368   4.171
  272    HA   ALA  38           HA       ALA  38  -2.063  -2.963   1.444
  273    HB1  ALA  38           HB1      ALA  38  -1.835  -0.786   2.465
  274    HB2  ALA  38           HB2      ALA  38  -0.265  -1.478   2.073
  275    HB3  ALA  38           HB3      ALA  38  -0.833  -1.465   3.754
  276    H    GLU  39           H        GLU  39  -0.705  -4.422   0.924
  277    HA   GLU  39           HA       GLU  39   0.356  -6.185   3.036
  278    HB2  GLU  39           HB2      GLU  39  -1.563  -7.136   1.842
  279    HB3  GLU  39           HB3      GLU  39  -0.773  -6.844   0.308
  280    HG2  GLU  39           HG2      GLU  39  -0.683  -9.185   0.945
  281    HG3  GLU  39           HG3      GLU  39   0.929  -8.479   0.855
  282    H    ASN  40           H        ASN  40   2.365  -7.206   2.509
  283    HA   ASN  40           HA       ASN  40   4.158  -5.661   0.910
  284    HB2  ASN  40           HB2      ASN  40   5.062  -6.890   2.795
  285    HB3  ASN  40           HB3      ASN  40   4.449  -8.411   2.158
  286   HD21  ASN  40          HD21      ASN  40   6.817  -5.965   1.841
  287   HD22  ASN  40          HD22      ASN  40   7.901  -6.825   0.793
  288    H    PHE  41           H        PHE  41   4.270  -5.731  -1.193
  289    HA   PHE  41           HA       PHE  41   2.836  -7.828  -2.607
  290    HB2  PHE  41           HB2      PHE  41   2.423  -5.472  -3.227
  291    HB3  PHE  41           HB3      PHE  41   4.120  -5.288  -3.610
  292    HD1  PHE  41           HD1      PHE  41   1.196  -7.404  -4.566
  293    HD2  PHE  41           HD2      PHE  41   4.831  -5.548  -5.791
  294    HE1  PHE  41           HE1      PHE  41   0.792  -8.127  -6.872
  295    HE2  PHE  41           HE2      PHE  41   4.427  -6.275  -8.100
  296    HZ   PHE  41           HZ       PHE  41   2.405  -7.567  -8.644
  297    H    LYS  42           H        LYS  42   6.049  -6.420  -2.365
  298    HA   LYS  42           HA       LYS  42   7.383  -8.711  -3.368
  299    HB2  LYS  42           HB2      LYS  42   6.303  -7.599  -5.416
  300    HB3  LYS  42           HB3      LYS  42   7.274  -6.196  -5.064
  301    HG2  LYS  42           HG2      LYS  42   9.288  -7.404  -5.543
  302    HG3  LYS  42           HG3      LYS  42   8.370  -8.897  -5.764
  303    HD2  LYS  42           HD2      LYS  42   7.107  -7.823  -7.593
  304    HD3  LYS  42           HD3      LYS  42   8.100  -6.380  -7.403
  305    HE2  LYS  42           HE2      LYS  42  10.087  -7.678  -7.969
  306    HE3  LYS  42           HE3      LYS  42   9.089  -9.123  -8.137
  307    HZ1  LYS  42           HZ1      LYS  42   7.934  -8.118  -9.962
  308    HZ2  LYS  42           HZ2      LYS  42   9.571  -8.035 -10.292
  309    HZ3  LYS  42           HZ3      LYS  42   8.741  -6.668  -9.776
  310    H    ASP  43           H        ASP  43   9.781  -7.922  -3.536
  311    HA   ASP  43           HA       ASP  43  10.466  -6.385  -1.277
  312    HB2  ASP  43           HB2      ASP  43  12.154  -7.079  -3.713
  313    HB3  ASP  43           HB3      ASP  43  12.778  -6.242  -2.307
  314    H    TYR  44           H        TYR  44  10.428  -4.330  -0.954
  315    HA   TYR  44           HA       TYR  44  10.340  -2.109  -1.194
  316    HB2  TYR  44           HB2      TYR  44  11.458  -2.677  -3.937
  317    HB3  TYR  44           HB3      TYR  44  11.078  -1.045  -3.403
  318    HD1  TYR  44           HD1      TYR  44  13.365  -3.872  -3.037
  319    HD2  TYR  44           HD2      TYR  44  12.357   0.004  -1.656
  320    HE1  TYR  44           HE1      TYR  44  15.554  -3.706  -1.949
  321    HE2  TYR  44           HE2      TYR  44  14.525   0.201  -0.567
  322    HH   TYR  44           HH       TYR  44  17.075  -1.863  -1.214
  323    H    TYR  45           H        TYR  45   8.086  -4.005  -2.223
  324    HA   TYR  45           HA       TYR  45   6.493  -1.778  -3.294
  325    HB2  TYR  45           HB2      TYR  45   6.519  -4.593  -4.344
  326    HB3  TYR  45           HB3      TYR  45   5.234  -3.447  -4.688
  327    HD1  TYR  45           HD1      TYR  45   8.641  -4.444  -5.480
  328    HD2  TYR  45           HD2      TYR  45   5.688  -1.439  -5.986
  329    HE1  TYR  45           HE1      TYR  45   9.933  -3.483  -7.327
  330    HE2  TYR  45           HE2      TYR  45   6.942  -0.486  -7.834
  331    HH   TYR  45           HH       TYR  45   9.547  -2.052  -9.336
  332    H    CYS  46           H        CYS  46   4.610  -1.499  -2.551
  333    HA   CYS  46           HA       CYS  46   3.523  -3.494  -0.679
  334    HB2  CYS  46           HB2      CYS  46   3.301  -0.485  -0.580
  335    HB3  CYS  46           HB3      CYS  46   2.408  -1.591   0.457
  336    H    ASN  47           H        ASN  47   1.472  -4.123  -1.000
  337    HA   ASN  47           HA       ASN  47   0.155  -3.064  -3.386
  338    HB2  ASN  47           HB2      ASN  47   0.519  -5.547  -3.228
  339    HB3  ASN  47           HB3      ASN  47  -0.496  -5.559  -1.792
  340   HD21  ASN  47          HD21      ASN  47  -2.733  -5.523  -2.048
  341   HD22  ASN  47          HD22      ASN  47  -3.445  -5.608  -3.602
  342    H    CYS  48           H        CYS  48  -0.971  -1.392  -2.878
  343    HA   CYS  48           HA       CYS  48  -2.301  -1.116  -0.339
  344    HB2  CYS  48           HB2      CYS  48  -2.315   0.709  -2.748
  345    HB3  CYS  48           HB3      CYS  48  -2.734   1.102  -1.080
  346    H    HIS  49           H        HIS  49  -4.504  -1.193  -0.066
  347    HA   HIS  49           HA       HIS  49  -6.033  -2.136  -2.367
  348    HB2  HIS  49           HB2      HIS  49  -6.480  -2.529   0.610
  349    HB3  HIS  49           HB3      HIS  49  -7.636  -3.006  -0.626
  350    HD1  HIS  49           HD3      HIS  49  -7.509  -5.434  -1.102
  351    HD2  HIS  49           HD2      HIS  49  -3.827  -3.854   0.030
  352    HE1  HIS  49           HE1      HIS  49  -5.880  -7.370  -1.145
  353    H    ILE  50           H        ILE  50  -6.729  -0.322  -3.224
  354    HA   ILE  50           HA       ILE  50  -7.588   1.855  -1.521
  355    HB   ILE  50           HB       ILE  50  -8.095   1.891  -4.476
  356   HG12  ILE  50          HG12      ILE  50  -5.766   0.991  -4.338
  357   HG13  ILE  50          HG13      ILE  50  -5.818   2.606  -5.014
  358   HG21  ILE  50          HG21      ILE  50  -8.760   3.715  -3.069
  359   HG22  ILE  50          HG22      ILE  50  -7.454   4.252  -4.151
  360   HG23  ILE  50          HG23      ILE  50  -7.112   3.851  -2.457
  361   HD11  ILE  50          HD11      ILE  50  -5.059   3.505  -2.860
  362   HD12  ILE  50          HD12      ILE  50  -3.932   2.330  -3.542
  363   HD13  ILE  50          HD13      ILE  50  -4.997   1.861  -2.215
  364    H    ILE  51           H        ILE  51  -9.568   1.751  -0.694
  365    HA   ILE  51           HA       ILE  51 -11.513  -0.119  -1.504
  366    HB   ILE  51           HB       ILE  51 -11.911   2.387   0.169
  367   HG12  ILE  51          HG12      ILE  51 -11.401  -0.461   0.995
  368   HG13  ILE  51          HG13      ILE  51 -10.194   0.823   1.043
  369   HG21  ILE  51          HG21      ILE  51 -13.888   1.213   1.054
  370   HG22  ILE  51          HG22      ILE  51 -13.595  -0.114  -0.069
  371   HG23  ILE  51          HG23      ILE  51 -14.027   1.478  -0.686
  372   HD11  ILE  51          HD11      ILE  51 -11.125   0.387   3.250
  373   HD12  ILE  51          HD12      ILE  51 -12.748   0.717   2.639
  374   HD13  ILE  51          HD13      ILE  51 -11.545   2.007   2.696
  375    H    ILE  52           H        ILE  52 -12.965  -0.060  -3.045
  376    HA   ILE  52           HA       ILE  52 -13.155   2.274  -4.750
  377    HB   ILE  52           HB       ILE  52 -14.469  -0.456  -4.967
  378   HG12  ILE  52          HG12      ILE  52 -12.054   0.646  -6.428
  379   HG13  ILE  52          HG13      ILE  52 -11.979  -0.482  -5.085
  380   HG21  ILE  52          HG21      ILE  52 -15.742   1.210  -6.188
  381   HG22  ILE  52          HG22      ILE  52 -14.877   0.182  -7.336
  382   HG23  ILE  52          HG23      ILE  52 -14.277   1.799  -6.968
  383   HD11  ILE  52          HD11      ILE  52 -13.139  -2.154  -6.420
  384   HD12  ILE  52          HD12      ILE  52 -11.684  -1.588  -7.242
  385   HD13  ILE  52          HD13      ILE  52 -13.273  -1.008  -7.751
  386    H    HIS  53           H        HIS  53 -15.278   0.199  -2.860
  387    HA   HIS  53           HA       HIS  53 -17.073   2.432  -2.431
  388    HB2  HIS  53           HB2      HIS  53 -17.942   0.997  -4.340
  389    HB3  HIS  53           HB3      HIS  53 -18.019  -0.346  -3.206
  390    HD1  HIS  53           HD3      HIS  53 -20.065  -0.417  -1.617
  391    HD2  HIS  53           HD2      HIS  53 -19.810   3.049  -3.893
  392    HE1  HIS  53           HE1      HIS  53 -22.251   0.783  -1.296
  Start of MODEL   16
    1    H1   GLU   1          1HT       GLU   1 -13.045  -5.290  -3.760
    2    H2   GLU   1          2HT       GLU   1 -14.244  -5.734  -2.684
    3    H3   GLU   1          3HT       GLU   1 -12.830  -5.035  -2.095
    4    HA   GLU   1           HA       GLU   1 -14.923  -3.711  -3.757
    5    HB2  GLU   1           HB2      GLU   1 -13.840  -2.924  -1.052
    6    HB3  GLU   1           HB3      GLU   1 -15.269  -2.305  -1.853
    7    HG2  GLU   1           HG2      GLU   1 -14.954  -5.095  -0.791
    8    HG3  GLU   1           HG3      GLU   1 -15.747  -3.770   0.049
    9    H    GLU   2           H        GLU   2 -11.721  -3.937  -2.772
   10    HA   GLU   2           HA       GLU   2 -11.002  -1.182  -3.269
   11    HB2  GLU   2           HB2      GLU   2  -9.088  -3.400  -2.655
   12    HB3  GLU   2           HB3      GLU   2  -8.935  -1.690  -2.318
   13    HG2  GLU   2           HG2      GLU   2  -9.308  -2.550  -0.216
   14    HG3  GLU   2           HG3      GLU   2 -10.940  -2.116  -0.707
   15    H    THR   3           H        THR   3  -9.138  -0.744  -4.564
   16    HA   THR   3           HA       THR   3  -8.752  -2.579  -6.780
   17    HB   THR   3           HB       THR   3  -8.047   0.351  -6.585
   18    HG1  THR   3           HG1      THR   3 -10.059  -0.620  -8.321
   19   HG21  THR   3          HG21      THR   3  -7.738   0.199  -9.031
   20   HG22  THR   3          HG22      THR   3  -8.104  -1.524  -8.962
   21   HG23  THR   3          HG23      THR   3  -6.655  -0.902  -8.176
   22    H    GLU   4           H        GLU   4  -7.060  -3.774  -6.417
   23    HA   GLU   4           HA       GLU   4  -5.083  -3.187  -4.459
   24    HB2  GLU   4           HB2      GLU   4  -5.225  -5.358  -6.556
   25    HB3  GLU   4           HB3      GLU   4  -3.939  -5.240  -5.371
   26    HG2  GLU   4           HG2      GLU   4  -5.500  -6.899  -4.661
   27    HG3  GLU   4           HG3      GLU   4  -5.622  -5.524  -3.579
   28    H    GLU   5           H        GLU   5  -3.545  -1.794  -4.739
   29    HA   GLU   5           HA       GLU   5  -2.421  -1.409  -7.422
   30    HB2  GLU   5           HB2      GLU   5  -3.837   0.480  -6.426
   31    HB3  GLU   5           HB3      GLU   5  -2.582   0.636  -5.217
   32    HG2  GLU   5           HG2      GLU   5  -2.265   2.277  -6.950
   33    HG3  GLU   5           HG3      GLU   5  -0.940   1.110  -6.966
   34    HA   PRO   6           HA       PRO   6   1.247  -2.624  -4.991
   35    HB2  PRO   6           HB2      PRO   6   2.533  -2.867  -7.605
   36    HB3  PRO   6           HB3      PRO   6   2.253  -4.124  -6.398
   37    HG2  PRO   6           HG2      PRO   6   0.937  -4.074  -8.765
   38    HG3  PRO   6           HG3      PRO   6   0.204  -4.700  -7.280
   39    HD2  PRO   6           HD2      PRO   6  -0.163  -2.026  -8.585
   40    HD3  PRO   6           HD3      PRO   6  -1.371  -3.105  -7.848
   41    H    ILE   7           H        ILE   7   2.237  -0.960  -4.160
   42    HA   ILE   7           HA       ILE   7   3.060   1.320  -5.836
   43    HB   ILE   7           HB       ILE   7   3.003   2.697  -3.825
   44   HG12  ILE   7          HG12      ILE   7   2.597   0.379  -2.007
   45   HG13  ILE   7          HG13      ILE   7   4.247   0.659  -2.561
   46   HG21  ILE   7          HG21      ILE   7   0.910   2.217  -2.756
   47   HG22  ILE   7          HG22      ILE   7   0.844   0.660  -3.585
   48   HG23  ILE   7          HG23      ILE   7   0.810   2.157  -4.519
   49   HD11  ILE   7          HD11      ILE   7   4.133   2.927  -1.691
   50   HD12  ILE   7          HD12      ILE   7   3.846   1.730  -0.422
   51   HD13  ILE   7          HD13      ILE   7   2.492   2.628  -1.121
   52    H    ARG   8           H        ARG   8   5.238   2.171  -5.410
   53    HA   ARG   8           HA       ARG   8   7.087   0.043  -4.647
   54    HB2  ARG   8           HB2      ARG   8   7.816   2.749  -5.796
   55    HB3  ARG   8           HB3      ARG   8   8.803   1.292  -5.714
   56    HG2  ARG   8           HG2      ARG   8   7.317   0.194  -7.272
   57    HG3  ARG   8           HG3      ARG   8   6.387   1.682  -7.437
   58    HD2  ARG   8           HD2      ARG   8   7.902   1.500  -9.258
   59    HD3  ARG   8           HD3      ARG   8   8.461   2.811  -8.214
   60    HE   ARG   8           HE       ARG   8   9.840   0.656  -7.339
   61   HH11  ARG   8          HH11      ARG   8   9.404   2.049 -10.565
   62   HH12  ARG   8          HH12      ARG   8  10.915   1.563 -11.146
   63   HH21  ARG   8          HH21      ARG   8  11.914  -0.066  -8.156
   64   HH22  ARG   8          HH22      ARG   8  12.384   0.341  -9.747
   65    H    HIS   9           H        HIS   9   8.255   0.211  -2.822
   66    HA   HIS   9           HA       HIS   9   7.990   2.682  -1.269
   67    HB2  HIS   9           HB2      HIS   9   6.359   0.936  -0.483
   68    HB3  HIS   9           HB3      HIS   9   7.717  -0.128  -0.159
   69    HD1  HIS   9           HD3      HIS   9   9.304   0.616   1.864
   70    HD2  HIS   9           HD2      HIS   9   5.780   2.755   1.449
   71    HE1  HIS   9           HE1      HIS   9   8.975   1.867   4.052
   72    H    ALA  10           H        ALA  10   9.955   3.359  -0.663
   73    HA   ALA  10           HA       ALA  10  12.218   1.712  -1.211
   74    HB1  ALA  10           HB1      ALA  10  12.151   4.490  -0.029
   75    HB2  ALA  10           HB2      ALA  10  12.285   4.103  -1.745
   76    HB3  ALA  10           HB3      ALA  10  13.578   3.652  -0.637
   77    H    LYS  11           H        LYS  11  11.798   0.035   0.217
   78    HA   LYS  11           HA       LYS  11  13.449  -0.010   2.436
   79    HB2  LYS  11           HB2      LYS  11  11.348   1.093   3.446
   80    HB3  LYS  11           HB3      LYS  11  10.461  -0.343   2.973
   81    HG2  LYS  11           HG2      LYS  11  11.741  -1.696   4.491
   82    HG3  LYS  11           HG3      LYS  11  12.793  -0.328   4.865
   83    HD2  LYS  11           HD2      LYS  11  10.850   0.885   5.786
   84    HD3  LYS  11           HD3      LYS  11   9.844  -0.534   5.484
   85    HE2  LYS  11           HE2      LYS  11  11.189  -1.852   6.984
   86    HE3  LYS  11           HE3      LYS  11  12.313  -0.520   7.212
   87    HZ1  LYS  11           HZ1      LYS  11  10.847  -0.650   9.075
   88    HZ2  LYS  11           HZ2      LYS  11   9.493  -0.661   8.099
   89    HZ3  LYS  11           HZ3      LYS  11  10.423   0.740   8.214
   90    H    LYS  12           H        LYS  12  13.997  -2.209   2.512
   91    HA   LYS  12           HA       LYS  12  13.345  -3.689   0.226
   92    HB2  LYS  12           HB2      LYS  12  15.414  -4.036   1.493
   93    HB3  LYS  12           HB3      LYS  12  14.489  -4.720   2.825
   94    HG2  LYS  12           HG2      LYS  12  13.710  -6.505   1.297
   95    HG3  LYS  12           HG3      LYS  12  14.786  -5.858   0.060
   96    HD2  LYS  12           HD2      LYS  12  16.701  -6.254   1.494
   97    HD3  LYS  12           HD3      LYS  12  15.636  -6.839   2.776
   98    HE2  LYS  12           HE2      LYS  12  16.024  -8.074   0.056
   99    HE3  LYS  12           HE3      LYS  12  16.636  -8.700   1.588
  100    HZ1  LYS  12           HZ1      LYS  12  14.196  -8.788   2.269
  101    HZ2  LYS  12           HZ2      LYS  12  14.720  -9.908   1.140
  102    HZ3  LYS  12           HZ3      LYS  12  13.848  -8.559   0.620
  103    H    ASN  13           H        ASN  13  12.429  -4.394   3.550
  104    HA   ASN  13           HA       ASN  13   9.986  -5.612   2.489
  105    HB2  ASN  13           HB2      ASN  13  11.548  -6.559   4.909
  106    HB3  ASN  13           HB3      ASN  13   9.933  -7.116   4.502
  107   HD21  ASN  13          HD21      ASN  13   9.675  -8.398   2.598
  108   HD22  ASN  13          HD22      ASN  13  11.005  -9.279   1.954
  109    HA   PRO  14           HA       PRO  14   8.642  -2.377   5.269
  110    HB2  PRO  14           HB2      PRO  14   6.589  -1.661   3.474
  111    HB3  PRO  14           HB3      PRO  14   8.117  -0.817   3.713
  112    HG2  PRO  14           HG2      PRO  14   7.323  -2.191   1.393
  113    HG3  PRO  14           HG3      PRO  14   8.956  -1.621   1.766
  114    HD2  PRO  14           HD2      PRO  14   7.792  -4.340   2.018
  115    HD3  PRO  14           HD3      PRO  14   9.463  -3.835   1.668
  116    H    SER  15           H        SER  15   7.179  -2.725   6.788
  117    HA   SER  15           HA       SER  15   5.428  -4.956   6.489
  118    HB2  SER  15           HB2      SER  15   5.820  -3.091   8.827
  119    HB3  SER  15           HB3      SER  15   4.987  -4.654   8.853
  120    HG   SER  15           HG       SER  15   7.178  -5.257   7.796
  121    H    GLU  16           H        GLU  16   3.216  -4.682   7.475
  122    HA   GLU  16           HA       GLU  16   1.601  -3.391   5.661
  123    HB2  GLU  16           HB2      GLU  16   0.960  -5.322   6.976
  124    HB3  GLU  16           HB3      GLU  16   1.025  -4.375   8.446
  125    HG2  GLU  16           HG2      GLU  16  -0.834  -3.015   7.623
  126    HG3  GLU  16           HG3      GLU  16  -0.908  -4.031   6.180
  127    H    GLY  17           H        GLY  17   2.480  -2.368   8.947
  128    HA2  GLY  17           HA2      GLY  17   0.867  -0.064   9.069
  129    HA3  GLY  17           HA3      GLY  17   2.348  -0.293   9.985
  130    H    GLU  18           H        GLU  18   4.237  -0.389   8.111
  131    HA   GLU  18           HA       GLU  18   4.935   2.215   7.407
  132    HB2  GLU  18           HB2      GLU  18   5.703  -0.341   5.979
  133    HB3  GLU  18           HB3      GLU  18   6.532   1.191   5.816
  134    HG2  GLU  18           HG2      GLU  18   6.310  -0.347   8.387
  135    HG3  GLU  18           HG3      GLU  18   7.656  -0.471   7.260
  136    H    CYS  19           H        CYS  19   3.650  -0.348   5.350
  137    HA   CYS  19           HA       CYS  19   3.411   1.329   3.128
  138    HB2  CYS  19           HB2      CYS  19   2.532  -1.456   3.674
  139    HB3  CYS  19           HB3      CYS  19   2.176  -0.678   2.138
  140    H    LYS  20           H        LYS  20   1.049   0.403   5.576
  141    HA   LYS  20           HA       LYS  20  -1.045   1.461   4.079
  142    HB2  LYS  20           HB2      LYS  20  -0.787   1.064   7.065
  143    HB3  LYS  20           HB3      LYS  20  -2.203   1.836   6.382
  144    HG2  LYS  20           HG2      LYS  20  -2.629  -0.225   5.061
  145    HG3  LYS  20           HG3      LYS  20  -1.248  -0.973   5.872
  146    HD2  LYS  20           HD2      LYS  20  -2.305  -0.757   8.013
  147    HD3  LYS  20           HD3      LYS  20  -3.630   0.176   7.324
  148    HE2  LYS  20           HE2      LYS  20  -4.283  -1.806   5.988
  149    HE3  LYS  20           HE3      LYS  20  -2.980  -2.719   6.743
  150    HZ1  LYS  20           HZ1      LYS  20  -5.116  -3.160   7.817
  151    HZ2  LYS  20           HZ2      LYS  20  -5.308  -1.535   8.186
  152    HZ3  LYS  20           HZ3      LYS  20  -4.073  -2.411   8.897
  153    H    LYS  21           H        LYS  21   1.243   2.899   6.328
  154    HA   LYS  21           HA       LYS  21   0.099   5.469   6.450
  155    HB2  LYS  21           HB2      LYS  21   1.799   4.796   8.057
  156    HB3  LYS  21           HB3      LYS  21   2.974   4.567   6.775
  157    HG2  LYS  21           HG2      LYS  21   3.393   6.619   8.038
  158    HG3  LYS  21           HG3      LYS  21   3.012   6.969   6.351
  159    HD2  LYS  21           HD2      LYS  21   0.704   7.491   7.010
  160    HD3  LYS  21           HD3      LYS  21   1.120   7.191   8.700
  161    HE2  LYS  21           HE2      LYS  21   2.386   9.286   6.931
  162    HE3  LYS  21           HE3      LYS  21   1.108   9.599   8.100
  163    HZ1  LYS  21           HZ1      LYS  21   3.295  10.142   8.974
  164    HZ2  LYS  21           HZ2      LYS  21   3.819   8.553   8.776
  165    HZ3  LYS  21           HZ3      LYS  21   2.569   8.914   9.855
  166    H    ALA  22           H        ALA  22   2.621   4.131   4.384
  167    HA   ALA  22           HA       ALA  22   3.112   6.415   2.841
  168    HB1  ALA  22           HB1      ALA  22   4.153   4.885   1.258
  169    HB2  ALA  22           HB2      ALA  22   3.385   3.517   2.063
  170    HB3  ALA  22           HB3      ALA  22   4.599   4.475   2.914
  171    H    CYS  23           H        CYS  23   0.969   3.643   2.227
  172    HA   CYS  23           HA       CYS  23   0.006   4.660  -0.205
  173    HB2  CYS  23           HB2      CYS  23  -0.992   2.517   1.625
  174    HB3  CYS  23           HB3      CYS  23  -1.764   2.852   0.080
  175    H    ALA  24           H        ALA  24  -0.997   5.167   3.077
  176    HA   ALA  24           HA       ALA  24  -3.505   6.282   2.454
  177    HB1  ALA  24           HB1      ALA  24  -1.640   6.906   4.744
  178    HB2  ALA  24           HB2      ALA  24  -2.861   5.634   4.716
  179    HB3  ALA  24           HB3      ALA  24  -3.355   7.329   4.659
  180    H    ASP  25           H        ASP  25  -0.391   7.743   3.187
  181    HA   ASP  25           HA       ASP  25  -1.075  10.402   2.724
  182    HB2  ASP  25           HB2      ASP  25   0.945   9.670   3.917
  183    HB3  ASP  25           HB3      ASP  25   1.622   9.090   2.402
  184    H    ALA  26           H        ALA  26   0.187   7.995   0.484
  185    HA   ALA  26           HA       ALA  26   0.387   9.911  -1.660
  186    HB1  ALA  26           HB1      ALA  26   0.775   6.932  -1.739
  187    HB2  ALA  26           HB2      ALA  26   2.035   8.120  -1.404
  188    HB3  ALA  26           HB3      ALA  26   1.249   8.090  -2.982
  189    H    PHE  27           H        PHE  27  -2.230   8.063  -0.472
  190    HA   PHE  27           HA       PHE  27  -3.405   8.246  -3.159
  191    HB2  PHE  27           HB2      PHE  27  -3.677   5.962  -1.242
  192    HB3  PHE  27           HB3      PHE  27  -4.880   6.246  -2.496
  193    HD1  PHE  27           HD1      PHE  27  -1.678   4.712  -1.755
  194    HD2  PHE  27           HD2      PHE  27  -4.050   6.410  -4.889
  195    HE1  PHE  27           HE1      PHE  27  -0.368   3.546  -3.371
  196    HE2  PHE  27           HE2      PHE  27  -2.699   5.240  -6.525
  197    HZ   PHE  27           HZ       PHE  27  -0.838   3.787  -5.791
  198    H    ALA  28           H        ALA  28  -4.245   8.100   0.259
  199    HA   ALA  28           HA       ALA  28  -6.723   9.550  -0.349
  200    HB1  ALA  28           HB1      ALA  28  -5.930   7.996   2.118
  201    HB2  ALA  28           HB2      ALA  28  -6.985   7.419   0.831
  202    HB3  ALA  28           HB3      ALA  28  -7.491   8.771   1.843
  203    H    ASN  29           H        ASN  29  -3.808  10.307   0.065
  204    HA   ASN  29           HA       ASN  29  -2.556  11.981   0.807
  205    HB2  ASN  29           HB2      ASN  29  -5.242  13.332   0.829
  206    HB3  ASN  29           HB3      ASN  29  -3.748  14.202   1.163
  207   HD21  ASN  29          HD21      ASN  29  -3.867  15.482  -0.657
  208   HD22  ASN  29          HD22      ASN  29  -3.655  14.852  -2.252
  209    H    GLY  30           H        GLY  30  -3.474  10.139   2.811
  210    HA2  GLY  30           HA2      GLY  30  -2.154  10.527   4.938
  211    HA3  GLY  30           HA3      GLY  30  -3.201  11.923   5.147
  212    H    ASP  31           H        ASP  31  -5.443  10.190   3.999
  213    HA   ASP  31           HA       ASP  31  -6.186   9.175   6.595
  214    HB2  ASP  31           HB2      ASP  31  -7.923  10.351   5.465
  215    HB3  ASP  31           HB3      ASP  31  -7.736   9.355   4.017
  216    H    GLN  32           H        GLN  32  -6.333   7.137   7.237
  217    HA   GLN  32           HA       GLN  32  -5.326   5.113   5.388
  218    HB2  GLN  32           HB2      GLN  32  -5.603   4.958   8.391
  219    HB3  GLN  32           HB3      GLN  32  -4.789   3.795   7.354
  220    HG2  GLN  32           HG2      GLN  32  -3.209   5.601   6.697
  221    HG3  GLN  32           HG3      GLN  32  -3.975   6.628   7.902
  222   HE21  GLN  32          HE21      GLN  32  -1.291   5.788   7.713
  223   HE22  GLN  32          HE22      GLN  32  -0.887   4.922   9.148
  224    H    SER  33           H        SER  33  -8.278   6.205   6.052
  225    HA   SER  33           HA       SER  33  -9.561   3.727   6.804
  226    HB2  SER  33           HB2      SER  33 -10.876   6.249   5.814
  227    HB3  SER  33           HB3      SER  33 -11.580   4.986   6.826
  228    HG   SER  33           HG       SER  33  -9.791   7.029   7.443
  229    H    LYS  34           H        LYS  34  -8.917   5.655   3.968
  230    HA   LYS  34           HA       LYS  34 -10.600   4.082   2.232
  231    HB2  LYS  34           HB2      LYS  34  -8.464   6.096   1.533
  232    HB3  LYS  34           HB3      LYS  34  -9.620   5.413   0.399
  233    HG2  LYS  34           HG2      LYS  34 -10.304   7.054   2.808
  234    HG3  LYS  34           HG3      LYS  34 -10.216   7.695   1.167
  235    HD2  LYS  34           HD2      LYS  34 -12.115   5.503   2.079
  236    HD3  LYS  34           HD3      LYS  34 -12.550   7.198   1.948
  237    HE2  LYS  34           HE2      LYS  34 -11.609   5.466  -0.352
  238    HE3  LYS  34           HE3      LYS  34 -13.285   5.853   0.009
  239    HZ1  LYS  34           HZ1      LYS  34 -12.769   8.197  -0.340
  240    HZ2  LYS  34           HZ2      LYS  34 -12.448   7.286  -1.711
  241    HZ3  LYS  34           HZ3      LYS  34 -11.177   7.820  -0.747
  242    H    ILE  35           H        ILE  35  -7.700   3.520   3.612
  243    HA   ILE  35           HA       ILE  35  -6.893   1.680   1.454
  244    HB   ILE  35           HB       ILE  35  -5.268   2.450   3.907
  245   HG12  ILE  35          HG12      ILE  35  -5.513   4.415   2.455
  246   HG13  ILE  35          HG13      ILE  35  -3.864   3.814   2.392
  247   HG21  ILE  35          HG21      ILE  35  -4.479   0.936   1.411
  248   HG22  ILE  35          HG22      ILE  35  -4.705   0.250   3.008
  249   HG23  ILE  35          HG23      ILE  35  -3.382   1.386   2.719
  250   HD11  ILE  35          HD11      ILE  35  -5.997   3.377   0.308
  251   HD12  ILE  35          HD12      ILE  35  -4.350   2.751   0.237
  252   HD13  ILE  35          HD13      ILE  35  -4.635   4.490   0.198
  253    H    ALA  36           H        ALA  36  -7.788  -0.240   1.735
  254    HA   ALA  36           HA       ALA  36  -8.832  -1.017   4.304
  255    HB1  ALA  36           HB1      ALA  36  -8.648  -2.658   1.783
  256    HB2  ALA  36           HB2      ALA  36  -9.984  -1.583   2.188
  257    HB3  ALA  36           HB3      ALA  36  -9.660  -3.000   3.187
  258    H    LYS  37           H        LYS  37  -6.471  -2.438   2.128
  259    HA   LYS  37           HA       LYS  37  -5.071  -3.556   4.435
  260    HB2  LYS  37           HB2      LYS  37  -5.761  -5.031   1.879
  261    HB3  LYS  37           HB3      LYS  37  -4.649  -5.633   3.093
  262    HG2  LYS  37           HG2      LYS  37  -6.462  -5.793   4.716
  263    HG3  LYS  37           HG3      LYS  37  -7.576  -5.086   3.548
  264    HD2  LYS  37           HD2      LYS  37  -6.078  -7.662   3.039
  265    HD3  LYS  37           HD3      LYS  37  -7.672  -7.615   3.784
  266    HE2  LYS  37           HE2      LYS  37  -7.040  -6.440   1.065
  267    HE3  LYS  37           HE3      LYS  37  -7.693  -8.053   1.319
  268    HZ1  LYS  37           HZ1      LYS  37  -9.332  -6.150   0.826
  269    HZ2  LYS  37           HZ2      LYS  37  -9.117  -5.712   2.444
  270    HZ3  LYS  37           HZ3      LYS  37  -9.698  -7.223   2.054
  271    H    ALA  38           H        ALA  38  -2.826  -4.190   3.837
  272    HA   ALA  38           HA       ALA  38  -1.649  -3.254   1.403
  273    HB1  ALA  38           HB1      ALA  38  -0.958  -1.940   4.037
  274    HB2  ALA  38           HB2      ALA  38  -1.767  -1.177   2.657
  275    HB3  ALA  38           HB3      ALA  38  -0.094  -1.722   2.504
  276    H    GLU  39           H        GLU  39   0.093  -4.490   1.038
  277    HA   GLU  39           HA       GLU  39   1.207  -6.032   3.264
  278    HB2  GLU  39           HB2      GLU  39  -0.843  -7.167   2.409
  279    HB3  GLU  39           HB3      GLU  39  -0.077  -7.278   0.840
  280    HG2  GLU  39           HG2      GLU  39   1.602  -8.752   1.727
  281    HG3  GLU  39           HG3      GLU  39   0.938  -8.564   3.355
  282    H    ASN  40           H        ASN  40   3.270  -6.897   2.752
  283    HA   ASN  40           HA       ASN  40   4.783  -5.534   0.814
  284    HB2  ASN  40           HB2      ASN  40   5.789  -6.481   2.869
  285    HB3  ASN  40           HB3      ASN  40   5.448  -8.106   2.291
  286   HD21  ASN  40          HD21      ASN  40   6.679  -5.433   0.318
  287   HD22  ASN  40          HD22      ASN  40   8.189  -6.165  -0.011
  288    H    PHE  41           H        PHE  41   4.717  -5.793  -1.244
  289    HA   PHE  41           HA       PHE  41   3.468  -8.120  -2.440
  290    HB2  PHE  41           HB2      PHE  41   2.698  -5.964  -3.175
  291    HB3  PHE  41           HB3      PHE  41   4.335  -5.438  -3.512
  292    HD1  PHE  41           HD1      PHE  41   1.604  -7.644  -4.647
  293    HD2  PHE  41           HD2      PHE  41   5.369  -5.900  -5.589
  294    HE1  PHE  41           HE1      PHE  41   1.354  -8.351  -6.991
  295    HE2  PHE  41           HE2      PHE  41   5.147  -6.600  -7.900
  296    HZ   PHE  41           HZ       PHE  41   3.121  -7.828  -8.627
  297    H    LYS  42           H        LYS  42   6.597  -6.505  -2.388
  298    HA   LYS  42           HA       LYS  42   7.990  -8.770  -3.397
  299    HB2  LYS  42           HB2      LYS  42   6.832  -7.497  -5.421
  300    HB3  LYS  42           HB3      LYS  42   8.024  -6.268  -5.092
  301    HG2  LYS  42           HG2      LYS  42   8.806  -7.580  -6.876
  302    HG3  LYS  42           HG3      LYS  42   9.792  -7.933  -5.462
  303    HD2  LYS  42           HD2      LYS  42   9.283 -10.008  -6.594
  304    HD3  LYS  42           HD3      LYS  42   8.391  -9.974  -5.075
  305    HE2  LYS  42           HE2      LYS  42   6.375  -9.237  -6.286
  306    HE3  LYS  42           HE3      LYS  42   7.285  -9.281  -7.795
  307    HZ1  LYS  42           HZ1      LYS  42   6.617 -11.571  -6.046
  308    HZ2  LYS  42           HZ2      LYS  42   7.625 -11.671  -7.384
  309    HZ3  LYS  42           HZ3      LYS  42   6.001 -11.246  -7.585
  310    H    ASP  43           H        ASP  43  10.404  -7.939  -3.496
  311    HA   ASP  43           HA       ASP  43  10.977  -6.307  -1.278
  312    HB2  ASP  43           HB2      ASP  43  12.745  -6.861  -3.697
  313    HB3  ASP  43           HB3      ASP  43  13.290  -6.017  -2.261
  314    H    TYR  44           H        TYR  44  10.835  -4.239  -1.000
  315    HA   TYR  44           HA       TYR  44  10.618  -2.026  -1.299
  316    HB2  TYR  44           HB2      TYR  44  11.733  -2.516  -4.080
  317    HB3  TYR  44           HB3      TYR  44  11.526  -0.932  -3.348
  318    HD1  TYR  44           HD1      TYR  44  13.552  -3.961  -3.454
  319    HD2  TYR  44           HD2      TYR  44  13.002  -0.230  -1.510
  320    HE1  TYR  44           HE1      TYR  44  15.795  -4.150  -2.493
  321    HE2  TYR  44           HE2      TYR  44  15.255  -0.400  -0.538
  322    HH   TYR  44           HH       TYR  44  17.534  -2.605  -1.623
  323    H    TYR  45           H        TYR  45   8.473  -3.992  -2.143
  324    HA   TYR  45           HA       TYR  45   6.751  -1.979  -3.421
  325    HB2  TYR  45           HB2      TYR  45   7.014  -4.852  -4.254
  326    HB3  TYR  45           HB3      TYR  45   5.592  -3.902  -4.609
  327    HD1  TYR  45           HD1      TYR  45   5.648  -2.142  -6.251
  328    HD2  TYR  45           HD2      TYR  45   9.130  -4.449  -5.466
  329    HE1  TYR  45           HE1      TYR  45   6.631  -1.350  -8.329
  330    HE2  TYR  45           HE2      TYR  45  10.128  -3.645  -7.564
  331    HH   TYR  45           HH       TYR  45   9.270  -2.754  -9.772
  332    H    CYS  46           H        CYS  46   4.633  -2.002  -2.804
  333    HA   CYS  46           HA       CYS  46   3.706  -4.119  -1.027
  334    HB2  CYS  46           HB2      CYS  46   3.710  -1.202  -0.361
  335    HB3  CYS  46           HB3      CYS  46   2.421  -2.235   0.241
  336    H    ASN  47           H        ASN  47   1.702  -4.719  -1.279
  337    HA   ASN  47           HA       ASN  47   0.231  -3.567  -3.511
  338    HB2  ASN  47           HB2      ASN  47   0.544  -6.067  -3.264
  339    HB3  ASN  47           HB3      ASN  47  -0.411  -5.978  -1.789
  340   HD21  ASN  47          HD21      ASN  47  -2.043  -7.233  -2.519
  341   HD22  ASN  47          HD22      ASN  47  -3.138  -6.787  -3.767
  342    H    CYS  48           H        CYS  48  -1.011  -1.912  -2.951
  343    HA   CYS  48           HA       CYS  48  -2.237  -1.980  -0.322
  344    HB2  CYS  48           HB2      CYS  48  -1.374   0.292  -2.063
  345    HB3  CYS  48           HB3      CYS  48  -2.465   0.566  -0.714
  346    H    HIS  49           H        HIS  49  -4.337  -1.621  -0.086
  347    HA   HIS  49           HA       HIS  49  -5.855  -2.217  -2.507
  348    HB2  HIS  49           HB2      HIS  49  -6.436  -2.789   0.390
  349    HB3  HIS  49           HB3      HIS  49  -7.484  -3.242  -0.951
  350    HD1  HIS  49           HD3      HIS  49  -7.109  -5.578  -1.842
  351    HD2  HIS  49           HD2      HIS  49  -3.807  -4.156   0.255
  352    HE1  HIS  49           HE1      HIS  49  -5.538  -7.536  -1.587
  353    H    ILE  50           H        ILE  50  -6.501  -0.310  -3.202
  354    HA   ILE  50           HA       ILE  50  -7.194   1.784  -1.318
  355    HB   ILE  50           HB       ILE  50  -7.625   2.126  -4.258
  356   HG12  ILE  50          HG12      ILE  50  -5.426   0.951  -4.203
  357   HG13  ILE  50          HG13      ILE  50  -5.256   2.625  -4.694
  358   HG21  ILE  50          HG21      ILE  50  -8.095   3.920  -2.698
  359   HG22  ILE  50          HG22      ILE  50  -6.716   4.364  -3.724
  360   HG23  ILE  50          HG23      ILE  50  -6.451   3.788  -2.071
  361   HD11  ILE  50          HD11      ILE  50  -4.436   3.185  -2.457
  362   HD12  ILE  50          HD12      ILE  50  -3.465   1.928  -3.232
  363   HD13  ILE  50          HD13      ILE  50  -4.625   1.494  -1.975
  364    H    ILE  51           H        ILE  51  -9.238   1.962  -0.616
  365    HA   ILE  51           HA       ILE  51 -11.339   0.381  -1.708
  366    HB   ILE  51           HB       ILE  51 -11.462   2.627   0.329
  367   HG12  ILE  51          HG12      ILE  51 -11.449  -0.377   0.705
  368   HG13  ILE  51          HG13      ILE  51 -10.082   0.687   1.008
  369   HG21  ILE  51          HG21      ILE  51 -13.639   2.279  -0.726
  370   HG22  ILE  51          HG22      ILE  51 -13.664   1.698   0.941
  371   HG23  ILE  51          HG23      ILE  51 -13.538   0.551  -0.393
  372   HD11  ILE  51          HD11      ILE  51 -12.716   0.737   2.460
  373   HD12  ILE  51          HD12      ILE  51 -11.338   1.790   2.781
  374   HD13  ILE  51          HD13      ILE  51 -11.208   0.056   3.069
  375    H    ILE  52           H        ILE  52 -12.137   0.819  -3.587
  376    HA   ILE  52           HA       ILE  52 -12.603   3.609  -4.360
  377    HB   ILE  52           HB       ILE  52 -12.331   1.135  -6.081
  378   HG12  ILE  52          HG12      ILE  52 -10.182   1.821  -5.168
  379   HG13  ILE  52          HG13      ILE  52 -10.237   2.157  -6.891
  380   HG21  ILE  52          HG21      ILE  52 -12.710   3.994  -6.943
  381   HG22  ILE  52          HG22      ILE  52 -13.883   2.688  -7.100
  382   HG23  ILE  52          HG23      ILE  52 -12.378   2.634  -8.016
  383   HD11  ILE  52          HD11      ILE  52 -10.673   4.534  -6.365
  384   HD12  ILE  52          HD12      ILE  52  -9.141   3.944  -5.721
  385   HD13  ILE  52          HD13      ILE  52 -10.525   4.139  -4.647
  386    H    HIS  53           H        HIS  53 -14.052   0.367  -4.300
  387    HA   HIS  53           HA       HIS  53 -16.530   1.392  -5.363
  388    HB2  HIS  53           HB2      HIS  53 -15.714  -1.430  -4.622
  389    HB3  HIS  53           HB3      HIS  53 -17.232  -0.986  -5.390
  390    HD1  HIS  53           HD3      HIS  53 -13.664  -1.687  -6.133
  391    HD2  HIS  53           HD2      HIS  53 -16.983  -0.118  -8.067
  392    HE1  HIS  53           HE1      HIS  53 -13.061  -1.625  -8.587
  Start of MODEL   17
    1    H1   GLU   1          1HT       GLU   1 -14.387  -5.588  -2.190
    2    H2   GLU   1          2HT       GLU   1 -15.510  -6.435  -3.109
    3    H3   GLU   1          3HT       GLU   1 -15.493  -4.735  -3.138
    4    HA   GLU   1           HA       GLU   1 -13.392  -6.545  -4.106
    5    HB2  GLU   1           HB2      GLU   1 -15.318  -6.431  -5.619
    6    HB3  GLU   1           HB3      GLU   1 -15.270  -4.677  -5.573
    7    HG2  GLU   1           HG2      GLU   1 -13.119  -4.684  -6.696
    8    HG3  GLU   1           HG3      GLU   1 -13.109  -6.447  -6.688
    9    H    GLU   2           H        GLU   2 -11.466  -5.722  -4.160
   10    HA   GLU   2           HA       GLU   2 -11.093  -2.852  -3.609
   11    HB2  GLU   2           HB2      GLU   2  -9.248  -5.161  -2.998
   12    HB3  GLU   2           HB3      GLU   2  -9.083  -3.496  -2.460
   13    HG2  GLU   2           HG2      GLU   2 -10.937  -3.698  -1.013
   14    HG3  GLU   2           HG3      GLU   2 -11.378  -5.264  -1.681
   15    H    THR   3           H        THR   3  -9.500  -1.852  -4.876
   16    HA   THR   3           HA       THR   3  -8.434  -3.547  -6.972
   17    HB   THR   3           HB       THR   3  -9.452  -1.508  -7.878
   18    HG1  THR   3           HG1      THR   3  -7.347  -2.368  -8.669
   19   HG21  THR   3          HG21      THR   3  -7.473   0.018  -6.186
   20   HG22  THR   3          HG22      THR   3  -9.223  -0.033  -5.950
   21   HG23  THR   3          HG23      THR   3  -8.549   0.730  -7.389
   22    H    GLU   4           H        GLU   4  -6.370  -4.037  -7.055
   23    HA   GLU   4           HA       GLU   4  -4.827  -3.359  -4.674
   24    HB2  GLU   4           HB2      GLU   4  -4.640  -5.638  -6.639
   25    HB3  GLU   4           HB3      GLU   4  -3.563  -5.395  -5.268
   26    HG2  GLU   4           HG2      GLU   4  -5.357  -5.714  -3.720
   27    HG3  GLU   4           HG3      GLU   4  -6.533  -5.738  -5.030
   28    H    GLU   5           H        GLU   5  -3.310  -1.894  -4.981
   29    HA   GLU   5           HA       GLU   5  -2.036  -1.830  -7.617
   30    HB2  GLU   5           HB2      GLU   5  -3.508   0.157  -7.196
   31    HB3  GLU   5           HB3      GLU   5  -2.478   0.570  -5.837
   32    HG2  GLU   5           HG2      GLU   5  -0.582   0.889  -7.278
   33    HG3  GLU   5           HG3      GLU   5  -1.498   0.330  -8.673
   34    HA   PRO   6           HA       PRO   6   1.521  -2.515  -4.952
   35    HB2  PRO   6           HB2      PRO   6   3.046  -2.930  -7.366
   36    HB3  PRO   6           HB3      PRO   6   2.603  -4.114  -6.137
   37    HG2  PRO   6           HG2      PRO   6   1.596  -4.127  -8.694
   38    HG3  PRO   6           HG3      PRO   6   0.755  -4.812  -7.296
   39    HD2  PRO   6           HD2      PRO   6   0.328  -2.197  -8.670
   40    HD3  PRO   6           HD3      PRO   6  -0.853  -3.326  -7.959
   41    H    ILE   7           H        ILE   7   2.193  -0.663  -4.253
   42    HA   ILE   7           HA       ILE   7   3.074   1.441  -6.078
   43    HB   ILE   7           HB       ILE   7   2.988   2.971  -4.175
   44   HG12  ILE   7          HG12      ILE   7   2.072   0.713  -2.430
   45   HG13  ILE   7          HG13      ILE   7   3.797   1.066  -2.567
   46   HG21  ILE   7          HG21      ILE   7   0.651   2.772  -3.600
   47   HG22  ILE   7          HG22      ILE   7   0.624   1.147  -4.281
   48   HG23  ILE   7          HG23      ILE   7   0.933   2.534  -5.324
   49   HD11  ILE   7          HD11      ILE   7   2.837   2.118  -0.635
   50   HD12  ILE   7          HD12      ILE   7   1.642   2.941  -1.666
   51   HD13  ILE   7          HD13      ILE   7   3.369   3.310  -1.827
   52    H    ARG   8           H        ARG   8   4.998   2.547  -5.600
   53    HA   ARG   8           HA       ARG   8   7.183   0.748  -5.060
   54    HB2  ARG   8           HB2      ARG   8   7.220   3.713  -5.651
   55    HB3  ARG   8           HB3      ARG   8   8.568   2.587  -5.768
   56    HG2  ARG   8           HG2      ARG   8   7.545   1.479  -7.633
   57    HG3  ARG   8           HG3      ARG   8   6.103   2.491  -7.483
   58    HD2  ARG   8           HD2      ARG   8   7.523   4.479  -7.887
   59    HD3  ARG   8           HD3      ARG   8   8.894   3.401  -8.144
   60    HE   ARG   8           HE       ARG   8   6.788   2.634  -9.802
   61   HH11  ARG   8          HH11      ARG   8   9.101   5.322  -9.455
   62   HH12  ARG   8          HH12      ARG   8   9.139   5.680 -11.120
   63   HH21  ARG   8          HH21      ARG   8   6.861   3.163 -12.111
   64   HH22  ARG   8          HH22      ARG   8   7.844   4.439 -12.651
   65    H    HIS   9           H        HIS   9   8.212   0.640  -3.142
   66    HA   HIS   9           HA       HIS   9   7.660   2.731  -1.154
   67    HB2  HIS   9           HB2      HIS   9   6.515   0.454  -0.781
   68    HB3  HIS   9           HB3      HIS   9   8.129  -0.202  -0.540
   69    HD1  HIS   9           HD3      HIS   9   8.913  -0.152   1.852
   70    HD2  HIS   9           HD2      HIS   9   5.876   2.546   1.099
   71    HE1  HIS   9           HE1      HIS   9   8.387   0.969   4.072
   72    H    ALA  10           H        ALA  10   9.509   3.039   0.360
   73    HA   ALA  10           HA       ALA  10  11.981   2.580  -1.112
   74    HB1  ALA  10           HB1      ALA  10  11.463   4.470   1.156
   75    HB2  ALA  10           HB2      ALA  10  11.411   4.880  -0.558
   76    HB3  ALA  10           HB3      ALA  10  12.933   4.383   0.187
   77    H    LYS  11           H        LYS  11  10.456   0.936   1.190
   78    HA   LYS  11           HA       LYS  11  12.966   0.209   2.528
   79    HB2  LYS  11           HB2      LYS  11  10.107  -0.471   3.295
   80    HB3  LYS  11           HB3      LYS  11  11.538  -1.044   4.127
   81    HG2  LYS  11           HG2      LYS  11  10.713   1.850   3.931
   82    HG3  LYS  11           HG3      LYS  11  10.362   0.791   5.294
   83    HD2  LYS  11           HD2      LYS  11  12.813   0.458   5.586
   84    HD3  LYS  11           HD3      LYS  11  13.081   1.648   4.310
   85    HE2  LYS  11           HE2      LYS  11  13.276   2.681   6.512
   86    HE3  LYS  11           HE3      LYS  11  11.897   3.339   5.635
   87    HZ1  LYS  11           HZ1      LYS  11  10.416   1.931   6.955
   88    HZ2  LYS  11           HZ2      LYS  11  11.380   2.852   7.974
   89    HZ3  LYS  11           HZ3      LYS  11  11.738   1.232   7.733
   90    H    LYS  12           H        LYS  12  13.699  -1.824   2.226
   91    HA   LYS  12           HA       LYS  12  12.966  -3.176  -0.127
   92    HB2  LYS  12           HB2      LYS  12  15.195  -3.327   0.727
   93    HB3  LYS  12           HB3      LYS  12  14.627  -3.989   2.249
   94    HG2  LYS  12           HG2      LYS  12  13.938  -6.028   1.102
   95    HG3  LYS  12           HG3      LYS  12  14.503  -5.358  -0.431
   96    HD2  LYS  12           HD2      LYS  12  16.744  -5.243   0.384
   97    HD3  LYS  12           HD3      LYS  12  16.238  -5.743   1.999
   98    HE2  LYS  12           HE2      LYS  12  17.261  -7.582   0.798
   99    HE3  LYS  12           HE3      LYS  12  15.562  -7.907   1.108
  100    HZ1  LYS  12           HZ1      LYS  12  15.034  -7.359  -1.135
  101    HZ2  LYS  12           HZ2      LYS  12  16.253  -8.513  -1.138
  102    HZ3  LYS  12           HZ3      LYS  12  16.631  -6.904  -1.479
  103    H    ASN  13           H        ASN  13  12.410  -3.861   3.259
  104    HA   ASN  13           HA       ASN  13  10.272  -5.692   2.446
  105    HB2  ASN  13           HB2      ASN  13  12.259  -6.991   3.223
  106    HB3  ASN  13           HB3      ASN  13  12.139  -6.171   4.774
  107   HD21  ASN  13          HD21      ASN  13  10.654  -8.419   2.638
  108   HD22  ASN  13          HD22      ASN  13   9.614  -9.194   3.761
  109    HA   PRO  14           HA       PRO  14   8.492  -2.758   5.382
  110    HB2  PRO  14           HB2      PRO  14   6.315  -2.267   3.726
  111    HB3  PRO  14           HB3      PRO  14   7.777  -1.290   3.826
  112    HG2  PRO  14           HG2      PRO  14   6.895  -2.838   1.619
  113    HG3  PRO  14           HG3      PRO  14   8.427  -1.979   1.778
  114    HD2  PRO  14           HD2      PRO  14   7.825  -4.853   2.162
  115    HD3  PRO  14           HD3      PRO  14   9.345  -4.054   1.697
  116    H    SER  15           H        SER  15   6.953  -3.193   6.882
  117    HA   SER  15           HA       SER  15   5.330  -5.558   6.535
  118    HB2  SER  15           HB2      SER  15   6.551  -5.168   8.693
  119    HB3  SER  15           HB3      SER  15   5.630  -3.695   8.926
  120    HG   SER  15           HG       SER  15   4.824  -6.367   9.092
  121    H    GLU  16           H        GLU  16   3.054  -5.118   7.677
  122    HA   GLU  16           HA       GLU  16   1.389  -3.849   5.857
  123    HB2  GLU  16           HB2      GLU  16   0.750  -5.577   7.538
  124    HB3  GLU  16           HB3      GLU  16   0.853  -4.345   8.782
  125    HG2  GLU  16           HG2      GLU  16  -0.943  -3.107   7.568
  126    HG3  GLU  16           HG3      GLU  16  -1.106  -4.507   6.511
  127    H    GLY  17           H        GLY  17   2.773  -2.642   8.887
  128    HA2  GLY  17           HA2      GLY  17   1.360  -0.223   9.089
  129    HA3  GLY  17           HA3      GLY  17   2.920  -0.562   9.813
  130    H    GLU  18           H        GLU  18   4.619  -0.830   7.834
  131    HA   GLU  18           HA       GLU  18   5.261   1.709   6.896
  132    HB2  GLU  18           HB2      GLU  18   5.980  -1.000   5.788
  133    HB3  GLU  18           HB3      GLU  18   6.679   0.499   5.211
  134    HG2  GLU  18           HG2      GLU  18   6.891  -0.531   8.027
  135    HG3  GLU  18           HG3      GLU  18   8.115  -0.721   6.775
  136    H    CYS  19           H        CYS  19   3.717  -0.971   5.228
  137    HA   CYS  19           HA       CYS  19   3.410   0.317   2.794
  138    HB2  CYS  19           HB2      CYS  19   1.959  -2.013   3.999
  139    HB3  CYS  19           HB3      CYS  19   1.745  -1.492   2.334
  140    H    LYS  20           H        LYS  20   1.066  -0.003   5.510
  141    HA   LYS  20           HA       LYS  20  -0.937   1.326   4.024
  142    HB2  LYS  20           HB2      LYS  20  -2.276   1.386   6.022
  143    HB3  LYS  20           HB3      LYS  20  -1.448  -0.159   5.961
  144    HG2  LYS  20           HG2      LYS  20   0.185   0.676   7.604
  145    HG3  LYS  20           HG3      LYS  20  -0.686   2.206   7.672
  146    HD2  LYS  20           HD2      LYS  20  -1.366   0.883   9.557
  147    HD3  LYS  20           HD3      LYS  20  -2.712   0.931   8.420
  148    HE2  LYS  20           HE2      LYS  20  -2.035  -1.275   7.562
  149    HE3  LYS  20           HE3      LYS  20  -0.722  -1.309   8.736
  150    HZ1  LYS  20           HZ1      LYS  20  -3.629  -1.331   9.306
  151    HZ2  LYS  20           HZ2      LYS  20  -2.440  -1.167  10.483
  152    HZ3  LYS  20           HZ3      LYS  20  -2.520  -2.583   9.570
  153    H    LYS  21           H        LYS  21   1.615   2.422   6.094
  154    HA   LYS  21           HA       LYS  21   0.719   5.059   6.477
  155    HB2  LYS  21           HB2      LYS  21   2.603   3.868   7.693
  156    HB3  LYS  21           HB3      LYS  21   3.592   4.134   6.271
  157    HG2  LYS  21           HG2      LYS  21   4.099   5.796   7.946
  158    HG3  LYS  21           HG3      LYS  21   3.314   6.570   6.566
  159    HD2  LYS  21           HD2      LYS  21   1.192   6.590   7.752
  160    HD3  LYS  21           HD3      LYS  21   1.916   5.739   9.111
  161    HE2  LYS  21           HE2      LYS  21   1.697   8.138   9.556
  162    HE3  LYS  21           HE3      LYS  21   3.385   7.638   9.528
  163    HZ1  LYS  21           HZ1      LYS  21   3.622   8.530   7.354
  164    HZ2  LYS  21           HZ2      LYS  21   2.964   9.732   8.318
  165    HZ3  LYS  21           HZ3      LYS  21   1.991   8.888   7.216
  166    H    ALA  22           H        ALA  22   2.897   3.593   4.095
  167    HA   ALA  22           HA       ALA  22   3.327   5.907   2.565
  168    HB1  ALA  22           HB1      ALA  22   3.438   3.029   1.682
  169    HB2  ALA  22           HB2      ALA  22   4.754   3.926   2.439
  170    HB3  ALA  22           HB3      ALA  22   4.164   4.402   0.846
  171    H    CYS  23           H        CYS  23   1.027   3.206   2.108
  172    HA   CYS  23           HA       CYS  23  -0.186   4.174  -0.209
  173    HB2  CYS  23           HB2      CYS  23  -1.385   2.487   1.993
  174    HB3  CYS  23           HB3      CYS  23  -2.158   2.785   0.442
  175    H    ALA  24           H        ALA  24  -0.740   5.037   3.141
  176    HA   ALA  24           HA       ALA  24  -3.104   6.504   2.536
  177    HB1  ALA  24           HB1      ALA  24  -2.678   5.583   4.714
  178    HB2  ALA  24           HB2      ALA  24  -2.916   7.332   4.809
  179    HB3  ALA  24           HB3      ALA  24  -1.287   6.646   4.931
  180    H    ASP  25           H        ASP  25   0.157   7.484   3.537
  181    HA   ASP  25           HA       ASP  25  -0.271  10.215   3.226
  182    HB2  ASP  25           HB2      ASP  25   2.232   8.594   3.467
  183    HB3  ASP  25           HB3      ASP  25   2.303  10.328   3.188
  184    H    ALA  26           H        ALA  26   0.847   7.887   0.874
  185    HA   ALA  26           HA       ALA  26   1.451  10.059  -0.939
  186    HB1  ALA  26           HB1      ALA  26   1.674   7.091  -1.403
  187    HB2  ALA  26           HB2      ALA  26   2.971   8.132  -0.819
  188    HB3  ALA  26           HB3      ALA  26   2.314   8.369  -2.439
  189    H    PHE  27           H        PHE  27  -1.374   8.408  -0.125
  190    HA   PHE  27           HA       PHE  27  -2.303   8.709  -2.893
  191    HB2  PHE  27           HB2      PHE  27  -3.205   6.830  -0.759
  192    HB3  PHE  27           HB3      PHE  27  -4.320   7.291  -2.037
  193    HD1  PHE  27           HD1      PHE  27  -0.634   6.471  -2.070
  194    HD2  PHE  27           HD2      PHE  27  -4.554   5.539  -3.471
  195    HE1  PHE  27           HE1      PHE  27   0.283   4.813  -3.479
  196    HE2  PHE  27           HE2      PHE  27  -3.590   3.811  -4.917
  197    HZ   PHE  27           HZ       PHE  27  -1.181   3.440  -4.947
  198    H    ALA  28           H        ALA  28  -3.134   9.273   0.461
  199    HA   ALA  28           HA       ALA  28  -5.091  11.303  -0.373
  200    HB1  ALA  28           HB1      ALA  28  -6.601  10.526   1.385
  201    HB2  ALA  28           HB2      ALA  28  -5.458   9.231   1.771
  202    HB3  ALA  28           HB3      ALA  28  -6.257   9.258   0.204
  203    H    ASN  29           H        ASN  29  -2.288  11.292   0.663
  204    HA   ASN  29           HA       ASN  29  -0.943  12.503   2.003
  205    HB2  ASN  29           HB2      ASN  29  -3.437  14.181   2.321
  206    HB3  ASN  29           HB3      ASN  29  -1.880  14.646   2.991
  207   HD21  ASN  29          HD21      ASN  29  -3.462  16.019   1.038
  208   HD22  ASN  29          HD22      ASN  29  -2.522  16.146  -0.395
  209    H    GLY  30           H        GLY  30  -2.377  10.269   3.225
  210    HA2  GLY  30           HA2      GLY  30  -1.445   9.655   5.448
  211    HA3  GLY  30           HA3      GLY  30  -2.061  11.195   6.019
  212    H    ASP  31           H        ASP  31  -4.318   9.962   3.952
  213    HA   ASP  31           HA       ASP  31  -5.898   9.093   6.221
  214    HB2  ASP  31           HB2      ASP  31  -7.021  10.596   4.709
  215    HB3  ASP  31           HB3      ASP  31  -6.711   9.523   3.347
  216    H    GLN  32           H        GLN  32  -6.013   7.099   6.830
  217    HA   GLN  32           HA       GLN  32  -5.339   4.942   4.977
  218    HB2  GLN  32           HB2      GLN  32  -5.718   4.889   7.988
  219    HB3  GLN  32           HB3      GLN  32  -5.158   3.555   6.999
  220    HG2  GLN  32           HG2      GLN  32  -3.192   4.846   6.378
  221    HG3  GLN  32           HG3      GLN  32  -3.730   6.170   7.403
  222   HE21  GLN  32          HE21      GLN  32  -1.298   4.629   7.495
  223   HE22  GLN  32          HE22      GLN  32  -1.196   3.916   9.061
  224    H    SER  33           H        SER  33  -8.017   6.473   5.147
  225    HA   SER  33           HA       SER  33  -9.767   4.321   6.023
  226    HB2  SER  33           HB2      SER  33 -10.563   7.046   5.018
  227    HB3  SER  33           HB3      SER  33 -11.503   5.939   6.024
  228    HG   SER  33           HG       SER  33  -9.615   7.761   6.657
  229    H    LYS  34           H        LYS  34  -9.021   6.299   3.172
  230    HA   LYS  34           HA       LYS  34 -10.747   4.978   1.345
  231    HB2  LYS  34           HB2      LYS  34  -8.121   6.402   0.875
  232    HB3  LYS  34           HB3      LYS  34  -9.206   5.900  -0.408
  233    HG2  LYS  34           HG2      LYS  34 -10.917   7.416   0.402
  234    HG3  LYS  34           HG3      LYS  34  -9.899   7.845   1.780
  235    HD2  LYS  34           HD2      LYS  34  -8.233   8.776   0.296
  236    HD3  LYS  34           HD3      LYS  34  -9.177   8.294  -1.109
  237    HE2  LYS  34           HE2      LYS  34 -10.082  10.253   1.010
  238    HE3  LYS  34           HE3      LYS  34  -9.392  10.707  -0.543
  239    HZ1  LYS  34           HZ1      LYS  34 -11.952   9.239  -0.127
  240    HZ2  LYS  34           HZ2      LYS  34 -11.255   9.577  -1.625
  241    HZ3  LYS  34           HZ3      LYS  34 -11.763  10.829  -0.651
  242    H    ILE  35           H        ILE  35  -7.709   4.241   2.659
  243    HA   ILE  35           HA       ILE  35  -7.130   2.032   0.861
  244    HB   ILE  35           HB       ILE  35  -5.662   2.943   3.360
  245   HG12  ILE  35          HG12      ILE  35  -5.670   4.776   1.734
  246   HG13  ILE  35          HG13      ILE  35  -4.060   4.091   1.878
  247   HG21  ILE  35          HG21      ILE  35  -5.138   0.662   2.738
  248   HG22  ILE  35          HG22      ILE  35  -3.750   1.709   2.440
  249   HG23  ILE  35          HG23      ILE  35  -4.754   1.175   1.093
  250   HD11  ILE  35          HD11      ILE  35  -4.571   4.620  -0.413
  251   HD12  ILE  35          HD12      ILE  35  -6.017   3.609  -0.364
  252   HD13  ILE  35          HD13      ILE  35  -4.418   2.870  -0.228
  253    H    ALA  36           H        ALA  36  -8.032   0.111   1.319
  254    HA   ALA  36           HA       ALA  36  -9.472  -0.388   3.726
  255    HB1  ALA  36           HB1      ALA  36 -10.120  -1.394   1.583
  256    HB2  ALA  36           HB2      ALA  36  -9.829  -2.630   2.805
  257    HB3  ALA  36           HB3      ALA  36  -8.618  -2.316   1.564
  258    H    LYS  37           H        LYS  37  -6.416  -1.448   2.396
  259    HA   LYS  37           HA       LYS  37  -5.157  -1.806   4.876
  260    HB2  LYS  37           HB2      LYS  37  -6.558  -3.895   4.847
  261    HB3  LYS  37           HB3      LYS  37  -5.858  -4.310   3.292
  262    HG2  LYS  37           HG2      LYS  37  -3.647  -4.488   4.358
  263    HG3  LYS  37           HG3      LYS  37  -4.380  -4.109   5.912
  264    HD2  LYS  37           HD2      LYS  37  -3.982  -6.523   5.573
  265    HD3  LYS  37           HD3      LYS  37  -5.685  -6.144   5.837
  266    HE2  LYS  37           HE2      LYS  37  -6.173  -6.420   3.515
  267    HE3  LYS  37           HE3      LYS  37  -4.460  -6.483   3.102
  268    HZ1  LYS  37           HZ1      LYS  37  -5.657  -8.656   3.171
  269    HZ2  LYS  37           HZ2      LYS  37  -5.714  -8.523   4.858
  270    HZ3  LYS  37           HZ3      LYS  37  -4.225  -8.530   4.026
  271    H    ALA  38           H        ALA  38  -2.870  -2.649   4.361
  272    HA   ALA  38           HA       ALA  38  -2.150  -2.648   1.576
  273    HB1  ALA  38           HB1      ALA  38  -0.452  -0.939   1.888
  274    HB2  ALA  38           HB2      ALA  38  -0.975  -0.714   3.550
  275    HB3  ALA  38           HB3      ALA  38  -2.055  -0.272   2.218
  276    H    GLU  39           H        GLU  39  -0.594  -4.120   1.324
  277    HA   GLU  39           HA       GLU  39   0.989  -4.831   3.692
  278    HB2  GLU  39           HB2      GLU  39  -0.447  -6.862   1.979
  279    HB3  GLU  39           HB3      GLU  39   0.756  -7.259   3.191
  280    HG2  GLU  39           HG2      GLU  39  -0.715  -6.226   4.902
  281    HG3  GLU  39           HG3      GLU  39  -1.933  -5.995   3.651
  282    H    ASN  40           H        ASN  40   2.775  -6.396   3.094
  283    HA   ASN  40           HA       ASN  40   4.416  -5.160   1.158
  284    HB2  ASN  40           HB2      ASN  40   5.340  -6.293   3.121
  285    HB3  ASN  40           HB3      ASN  40   4.701  -7.827   2.551
  286   HD21  ASN  40          HD21      ASN  40   6.328  -5.398   0.489
  287   HD22  ASN  40          HD22      ASN  40   7.670  -6.411   0.153
  288    H    PHE  41           H        PHE  41   4.526  -5.488  -0.948
  289    HA   PHE  41           HA       PHE  41   3.063  -7.751  -2.065
  290    HB2  PHE  41           HB2      PHE  41   2.453  -5.522  -2.889
  291    HB3  PHE  41           HB3      PHE  41   4.118  -5.228  -3.354
  292    HD1  PHE  41           HD1      PHE  41   4.880  -5.808  -5.485
  293    HD2  PHE  41           HD2      PHE  41   1.232  -7.471  -4.037
  294    HE1  PHE  41           HE1      PHE  41   4.447  -6.774  -7.689
  295    HE2  PHE  41           HE2      PHE  41   0.801  -8.434  -6.241
  296    HZ   PHE  41           HZ       PHE  41   2.403  -8.090  -8.073
  297    H    LYS  42           H        LYS  42   6.183  -6.058  -2.286
  298    HA   LYS  42           HA       LYS  42   7.583  -8.449  -2.933
  299    HB2  LYS  42           HB2      LYS  42   6.450  -7.744  -5.092
  300    HB3  LYS  42           HB3      LYS  42   7.317  -6.231  -4.998
  301    HG2  LYS  42           HG2      LYS  42   9.401  -7.339  -5.344
  302    HG3  LYS  42           HG3      LYS  42   8.629  -8.921  -5.215
  303    HD2  LYS  42           HD2      LYS  42   7.251  -8.370  -7.190
  304    HD3  LYS  42           HD3      LYS  42   8.125  -6.847  -7.341
  305    HE2  LYS  42           HE2      LYS  42  10.200  -8.043  -7.703
  306    HE3  LYS  42           HE3      LYS  42   9.383  -9.585  -7.446
  307    HZ1  LYS  42           HZ1      LYS  42   8.054  -9.156  -9.409
  308    HZ2  LYS  42           HZ2      LYS  42   9.690  -9.055  -9.818
  309    HZ3  LYS  42           HZ3      LYS  42   8.787  -7.669  -9.623
  310    H    ASP  43           H        ASP  43   9.971  -7.631  -3.352
  311    HA   ASP  43           HA       ASP  43  10.783  -5.938  -1.281
  312    HB2  ASP  43           HB2      ASP  43  12.259  -6.666  -3.842
  313    HB3  ASP  43           HB3      ASP  43  12.980  -5.774  -2.521
  314    H    TYR  44           H        TYR  44  10.613  -3.868  -1.060
  315    HA   TYR  44           HA       TYR  44  10.372  -1.651  -1.425
  316    HB2  TYR  44           HB2      TYR  44  11.534  -2.296  -4.141
  317    HB3  TYR  44           HB3      TYR  44  11.151  -0.661  -3.623
  318    HD1  TYR  44           HD1      TYR  44  12.347   0.294  -1.664
  319    HD2  TYR  44           HD2      TYR  44  13.523  -3.355  -3.470
  320    HE1  TYR  44           HE1      TYR  44  14.549   0.488  -0.593
  321    HE2  TYR  44           HE2      TYR  44  15.710  -3.185  -2.410
  322    HH   TYR  44           HH       TYR  44  17.150  -1.243  -1.554
  323    H    TYR  45           H        TYR  45   8.229  -3.625  -2.164
  324    HA   TYR  45           HA       TYR  45   6.505  -1.612  -3.411
  325    HB2  TYR  45           HB2      TYR  45   6.685  -4.491  -4.270
  326    HB3  TYR  45           HB3      TYR  45   5.326  -3.455  -4.657
  327    HD1  TYR  45           HD1      TYR  45   8.538  -4.592  -5.707
  328    HD2  TYR  45           HD2      TYR  45   5.857  -1.303  -5.977
  329    HE1  TYR  45           HE1      TYR  45   9.662  -3.853  -7.744
  330    HE2  TYR  45           HE2      TYR  45   6.979  -0.544  -8.010
  331    HH   TYR  45           HH       TYR  45   9.196  -0.807  -9.104
  332    H    CYS  46           H        CYS  46   4.588  -1.437  -2.633
  333    HA   CYS  46           HA       CYS  46   3.632  -3.441  -0.711
  334    HB2  CYS  46           HB2      CYS  46   3.439  -0.434  -0.542
  335    HB3  CYS  46           HB3      CYS  46   2.456  -1.520   0.432
  336    H    ASN  47           H        ASN  47   1.468  -3.925  -0.823
  337    HA   ASN  47           HA       ASN  47   0.185  -2.946  -3.262
  338    HB2  ASN  47           HB2      ASN  47   0.469  -5.391  -3.141
  339    HB3  ASN  47           HB3      ASN  47  -0.417  -5.418  -1.617
  340   HD21  ASN  47          HD21      ASN  47  -2.660  -5.363  -1.666
  341   HD22  ASN  47          HD22      ASN  47  -3.540  -5.403  -3.134
  342    H    CYS  48           H        CYS  48  -1.154  -1.387  -2.971
  343    HA   CYS  48           HA       CYS  48  -2.452  -0.986  -0.409
  344    HB2  CYS  48           HB2      CYS  48  -2.752   0.710  -2.924
  345    HB3  CYS  48           HB3      CYS  48  -3.110   1.129  -1.256
  346    H    HIS  49           H        HIS  49  -4.562  -1.409  -0.067
  347    HA   HIS  49           HA       HIS  49  -6.082  -2.632  -2.249
  348    HB2  HIS  49           HB2      HIS  49  -6.496  -2.703   0.763
  349    HB3  HIS  49           HB3      HIS  49  -7.538  -3.488  -0.413
  350    HD1  HIS  49           HD3      HIS  49  -7.101  -5.909  -0.518
  351    HD2  HIS  49           HD2      HIS  49  -3.681  -3.751   0.414
  352    HE1  HIS  49           HE1      HIS  49  -5.266  -7.620  -0.192
  353    H    ILE  50           H        ILE  50  -7.139  -1.040  -3.221
  354    HA   ILE  50           HA       ILE  50  -8.134   1.133  -1.541
  355    HB   ILE  50           HB       ILE  50  -8.239   1.160  -4.559
  356   HG12  ILE  50          HG12      ILE  50  -5.838   2.001  -2.905
  357   HG13  ILE  50          HG13      ILE  50  -5.908   0.494  -3.804
  358   HG21  ILE  50          HG21      ILE  50  -7.827   3.224  -2.414
  359   HG22  ILE  50          HG22      ILE  50  -9.357   2.917  -3.245
  360   HG23  ILE  50          HG23      ILE  50  -7.974   3.581  -4.137
  361   HD11  ILE  50          HD11      ILE  50  -4.671   2.121  -5.042
  362   HD12  ILE  50          HD12      ILE  50  -5.996   3.280  -4.932
  363   HD13  ILE  50          HD13      ILE  50  -6.188   1.807  -5.883
  364    H    ILE  51           H        ILE  51 -10.231   1.331  -1.174
  365    HA   ILE  51           HA       ILE  51 -11.974  -0.827  -1.802
  366    HB   ILE  51           HB       ILE  51 -12.591   1.851  -0.515
  367   HG12  ILE  51          HG12      ILE  51 -11.972  -0.807   0.773
  368   HG13  ILE  51          HG13      ILE  51 -10.832   0.531   0.641
  369   HG21  ILE  51          HG21      ILE  51 -14.534   0.703   0.444
  370   HG22  ILE  51          HG22      ILE  51 -14.125  -0.748  -0.474
  371   HG23  ILE  51          HG23      ILE  51 -14.603   0.724  -1.319
  372   HD11  ILE  51          HD11      ILE  51 -13.433   0.554   2.159
  373   HD12  ILE  51          HD12      ILE  51 -12.298   1.899   2.028
  374   HD13  ILE  51          HD13      ILE  51 -11.817   0.418   2.853
  375    H    ILE  52           H        ILE  52 -13.327  -1.018  -3.491
  376    HA   ILE  52           HA       ILE  52 -13.660   1.174  -5.366
  377    HB   ILE  52           HB       ILE  52 -14.741  -1.669  -5.410
  378   HG12  ILE  52          HG12      ILE  52 -12.294  -1.584  -5.597
  379   HG13  ILE  52          HG13      ILE  52 -13.028  -2.128  -7.099
  380   HG21  ILE  52          HG21      ILE  52 -14.769   0.372  -7.626
  381   HG22  ILE  52          HG22      ILE  52 -16.169  -0.204  -6.731
  382   HG23  ILE  52          HG23      ILE  52 -15.275  -1.313  -7.775
  383   HD11  ILE  52          HD11      ILE  52 -12.722   0.125  -8.032
  384   HD12  ILE  52          HD12      ILE  52 -11.204  -0.624  -7.550
  385   HD13  ILE  52          HD13      ILE  52 -11.932   0.619  -6.533
  386    H    HIS  53           H        HIS  53 -15.404  -0.350  -2.819
  387    HA   HIS  53           HA       HIS  53 -18.003   0.604  -3.708
  388    HB2  HIS  53           HB2      HIS  53 -17.271  -1.003  -1.245
  389    HB3  HIS  53           HB3      HIS  53 -18.898  -0.678  -1.825
  390    HD1  HIS  53           HD3      HIS  53 -19.878  -2.479  -3.304
  391    HD2  HIS  53           HD2      HIS  53 -15.736  -2.654  -3.066
  392    HE1  HIS  53           HE1      HIS  53 -19.203  -4.592  -4.497
  Start of MODEL   18
    1    H1   GLU   1          1HT       GLU   1 -12.988  -5.814  -2.533
    2    H2   GLU   1          2HT       GLU   1 -12.835  -6.197  -4.186
    3    H3   GLU   1          3HT       GLU   1 -14.260  -6.515  -3.386
    4    HA   GLU   1           HA       GLU   1 -14.329  -4.509  -4.809
    5    HB2  GLU   1           HB2      GLU   1 -15.481  -3.131  -3.144
    6    HB3  GLU   1           HB3      GLU   1 -15.921  -4.818  -2.963
    7    HG2  GLU   1           HG2      GLU   1 -14.351  -4.998  -1.076
    8    HG3  GLU   1           HG3      GLU   1 -13.973  -3.287  -1.254
    9    H    GLU   2           H        GLU   2 -11.451  -4.874  -4.138
   10    HA   GLU   2           HA       GLU   2 -10.831  -2.157  -3.296
   11    HB2  GLU   2           HB2      GLU   2  -8.988  -4.548  -3.160
   12    HB3  GLU   2           HB3      GLU   2  -8.707  -2.952  -2.504
   13    HG2  GLU   2           HG2      GLU   2  -9.206  -4.201  -0.617
   14    HG3  GLU   2           HG3      GLU   2 -10.752  -3.466  -1.007
   15    H    THR   3           H        THR   3  -9.285  -1.105  -4.415
   16    HA   THR   3           HA       THR   3  -8.507  -2.106  -7.034
   17    HB   THR   3           HB       THR   3  -8.222   0.598  -5.734
   18    HG1  THR   3           HG1      THR   3 -10.237  -0.600  -7.274
   19   HG21  THR   3          HG21      THR   3  -7.813   1.437  -8.017
   20   HG22  THR   3          HG22      THR   3  -7.968  -0.203  -8.637
   21   HG23  THR   3          HG23      THR   3  -6.625   0.210  -7.567
   22    H    GLU   4           H        GLU   4  -6.723  -3.256  -6.765
   23    HA   GLU   4           HA       GLU   4  -4.936  -2.665  -4.561
   24    HB2  GLU   4           HB2      GLU   4  -5.151  -5.048  -6.359
   25    HB3  GLU   4           HB3      GLU   4  -3.910  -4.855  -5.131
   26    HG2  GLU   4           HG2      GLU   4  -5.576  -4.775  -3.398
   27    HG3  GLU   4           HG3      GLU   4  -6.865  -4.847  -4.603
   28    H    GLU   5           H        GLU   5  -3.624  -1.182  -4.998
   29    HA   GLU   5           HA       GLU   5  -2.292  -1.077  -7.610
   30    HB2  GLU   5           HB2      GLU   5  -3.663   0.869  -6.825
   31    HB3  GLU   5           HB3      GLU   5  -2.532   1.039  -5.489
   32    HG2  GLU   5           HG2      GLU   5  -2.074   2.632  -7.261
   33    HG3  GLU   5           HG3      GLU   5  -0.731   1.504  -7.056
   34    HA   PRO   6           HA       PRO   6   1.327  -2.292  -5.117
   35    HB2  PRO   6           HB2      PRO   6   2.627  -2.415  -7.757
   36    HB3  PRO   6           HB3      PRO   6   2.439  -3.696  -6.555
   37    HG2  PRO   6           HG2      PRO   6   1.072  -3.739  -8.869
   38    HG3  PRO   6           HG3      PRO   6   0.365  -4.325  -7.354
   39    HD2  PRO   6           HD2      PRO   6  -0.056  -1.693  -8.733
   40    HD3  PRO   6           HD3      PRO   6  -1.242  -2.780  -7.974
   41    H    ILE   7           H        ILE   7   2.408  -0.697  -4.223
   42    HA   ILE   7           HA       ILE   7   3.323   1.592  -5.846
   43    HB   ILE   7           HB       ILE   7   3.271   2.953  -3.785
   44   HG12  ILE   7          HG12      ILE   7   2.355   0.527  -2.274
   45   HG13  ILE   7          HG13      ILE   7   4.073   0.898  -2.390
   46   HG21  ILE   7          HG21      ILE   7   0.836   1.304  -4.021
   47   HG22  ILE   7          HG22      ILE   7   1.237   2.786  -4.903
   48   HG23  ILE   7          HG23      ILE   7   1.037   2.815  -3.136
   49   HD11  ILE   7          HD11      ILE   7   3.129   1.736  -0.348
   50   HD12  ILE   7          HD12      ILE   7   1.943   2.681  -1.283
   51   HD13  ILE   7          HD13      ILE   7   3.673   3.041  -1.407
   52    H    ARG   8           H        ARG   8   5.441   2.471  -5.140
   53    HA   ARG   8           HA       ARG   8   7.188   0.290  -4.303
   54    HB2  ARG   8           HB2      ARG   8   8.070   2.945  -5.484
   55    HB3  ARG   8           HB3      ARG   8   9.012   1.493  -5.174
   56    HG2  ARG   8           HG2      ARG   8   7.679   0.298  -6.810
   57    HG3  ARG   8           HG3      ARG   8   6.926   1.833  -7.272
   58    HD2  ARG   8           HD2      ARG   8   8.841   1.251  -8.728
   59    HD3  ARG   8           HD3      ARG   8   9.111   2.753  -7.836
   60    HE   ARG   8           HE       ARG   8  10.343   1.231  -6.204
   61   HH11  ARG   8          HH11      ARG   8  10.457   0.776  -9.716
   62   HH12  ARG   8          HH12      ARG   8  11.897  -0.130  -9.678
   63   HH21  ARG   8          HH21      ARG   8  12.288   0.097  -6.153
   64   HH22  ARG   8          HH22      ARG   8  12.983  -0.519  -7.592
   65    H    HIS   9           H        HIS   9   8.341   0.434  -2.498
   66    HA   HIS   9           HA       HIS   9   7.975   2.838  -0.843
   67    HB2  HIS   9           HB2      HIS   9   6.709   0.706  -0.131
   68    HB3  HIS   9           HB3      HIS   9   8.288   0.023   0.231
   69    HD1  HIS   9           HD3      HIS   9   9.259   0.602   2.549
   70    HD2  HIS   9           HD2      HIS   9   6.003   2.949   1.479
   71    HE1  HIS   9           HE1      HIS   9   8.685   1.968   4.574
   72    H    ALA  10           H        ALA  10   9.785   2.976   0.847
   73    HA   ALA  10           HA       ALA  10  12.312   2.653  -0.548
   74    HB1  ALA  10           HB1      ALA  10  13.192   4.174   1.116
   75    HB2  ALA  10           HB2      ALA  10  11.674   4.101   2.015
   76    HB3  ALA  10           HB3      ALA  10  11.714   4.824   0.405
   77    H    LYS  11           H        LYS  11  10.940   0.339   0.837
   78    HA   LYS  11           HA       LYS  11  13.241  -0.479   2.449
   79    HB2  LYS  11           HB2      LYS  11  10.337  -0.895   3.197
   80    HB3  LYS  11           HB3      LYS  11  11.684  -1.693   3.973
   81    HG2  LYS  11           HG2      LYS  11  11.197   1.276   3.965
   82    HG3  LYS  11           HG3      LYS  11  10.757   0.177   5.269
   83    HD2  LYS  11           HD2      LYS  11  13.179  -0.437   5.456
   84    HD3  LYS  11           HD3      LYS  11  13.531   0.836   4.284
   85    HE2  LYS  11           HE2      LYS  11  13.871   1.666   6.538
   86    HE3  LYS  11           HE3      LYS  11  12.507   2.488   5.790
   87    HZ1  LYS  11           HZ1      LYS  11  12.314   0.229   7.718
   88    HZ2  LYS  11           HZ2      LYS  11  10.992   1.006   7.033
   89    HZ3  LYS  11           HZ3      LYS  11  11.997   1.829   8.088
   90    H    LYS  12           H        LYS  12  13.835  -2.542   2.032
   91    HA   LYS  12           HA       LYS  12  12.976  -3.930  -0.225
   92    HB2  LYS  12           HB2      LYS  12  15.127  -4.399   0.786
   93    HB3  LYS  12           HB3      LYS  12  14.357  -4.910   2.278
   94    HG2  LYS  12           HG2      LYS  12  13.373  -6.833   1.080
   95    HG3  LYS  12           HG3      LYS  12  14.234  -6.334  -0.376
   96    HD2  LYS  12           HD2      LYS  12  16.359  -6.645   0.700
   97    HD3  LYS  12           HD3      LYS  12  15.575  -6.956   2.245
   98    HE2  LYS  12           HE2      LYS  12  16.345  -9.027   1.200
   99    HE3  LYS  12           HE3      LYS  12  14.595  -9.005   1.360
  100    HZ1  LYS  12           HZ1      LYS  12  14.389  -8.559  -0.979
  101    HZ2  LYS  12           HZ2      LYS  12  15.459  -9.857  -0.787
  102    HZ3  LYS  12           HZ3      LYS  12  16.056  -8.333  -1.126
  103    H    ASN  13           H        ASN  13  12.215  -4.501   3.170
  104    HA   ASN  13           HA       ASN  13   9.691  -5.692   2.305
  105    HB2  ASN  13           HB2      ASN  13  11.289  -7.527   2.941
  106    HB3  ASN  13           HB3      ASN  13  11.411  -6.810   4.540
  107   HD21  ASN  13          HD21      ASN  13   9.369  -8.579   2.339
  108   HD22  ASN  13          HD22      ASN  13   8.213  -9.081   3.509
  109    HA   PRO  14           HA       PRO  14   9.003  -2.337   5.271
  110    HB2  PRO  14           HB2      PRO  14   6.576  -1.782   3.818
  111    HB3  PRO  14           HB3      PRO  14   8.032  -0.794   3.933
  112    HG2  PRO  14           HG2      PRO  14   7.202  -2.047   1.638
  113    HG3  PRO  14           HG3      PRO  14   8.883  -1.612   1.966
  114    HD2  PRO  14           HD2      PRO  14   7.507  -4.241   2.222
  115    HD3  PRO  14           HD3      PRO  14   9.151  -3.867   1.653
  116    H    SER  15           H        SER  15   7.643  -2.175   6.934
  117    HA   SER  15           HA       SER  15   6.133  -4.462   7.709
  118    HB2  SER  15           HB2      SER  15   6.160  -1.733   8.978
  119    HB3  SER  15           HB3      SER  15   5.896  -3.293   9.760
  120    HG   SER  15           HG       SER  15   8.263  -2.184   8.728
  121    H    GLU  16           H        GLU  16   3.798  -4.157   8.534
  122    HA   GLU  16           HA       GLU  16   2.128  -3.309   6.443
  123    HB2  GLU  16           HB2      GLU  16   1.383  -3.729   9.337
  124    HB3  GLU  16           HB3      GLU  16   0.256  -3.615   7.997
  125    HG2  GLU  16           HG2      GLU  16   1.357  -5.627   7.025
  126    HG3  GLU  16           HG3      GLU  16   2.264  -5.773   8.531
  127    H    GLY  17           H        GLY  17   2.927  -1.724   9.523
  128    HA2  GLY  17           HA2      GLY  17   1.294   0.518   9.235
  129    HA3  GLY  17           HA3      GLY  17   2.814   0.487  10.123
  130    H    GLU  18           H        GLU  18   4.523  -0.105   8.008
  131    HA   GLU  18           HA       GLU  18   5.050   2.458   6.966
  132    HB2  GLU  18           HB2      GLU  18   6.127  -0.232   6.113
  133    HB3  GLU  18           HB3      GLU  18   6.771   1.316   5.593
  134    HG2  GLU  18           HG2      GLU  18   7.343   1.839   7.919
  135    HG3  GLU  18           HG3      GLU  18   6.725   0.266   8.416
  136    H    CYS  19           H        CYS  19   4.017  -0.541   5.315
  137    HA   CYS  19           HA       CYS  19   3.596   0.623   2.816
  138    HB2  CYS  19           HB2      CYS  19   2.327  -1.862   4.020
  139    HB3  CYS  19           HB3      CYS  19   2.115  -1.389   2.368
  140    H    LYS  20           H        LYS  20   1.278   0.028   5.459
  141    HA   LYS  20           HA       LYS  20  -1.005   0.853   4.058
  142    HB2  LYS  20           HB2      LYS  20  -0.979  -0.501   6.118
  143    HB3  LYS  20           HB3      LYS  20  -0.514   0.916   7.036
  144    HG2  LYS  20           HG2      LYS  20  -2.642   1.986   6.495
  145    HG3  LYS  20           HG3      LYS  20  -3.104   0.590   5.518
  146    HD2  LYS  20           HD2      LYS  20  -2.555   0.561   8.498
  147    HD3  LYS  20           HD3      LYS  20  -4.149   0.510   7.746
  148    HE2  LYS  20           HE2      LYS  20  -3.566  -1.628   6.667
  149    HE3  LYS  20           HE3      LYS  20  -1.976  -1.570   7.417
  150    HZ1  LYS  20           HZ1      LYS  20  -3.445  -3.017   8.616
  151    HZ2  LYS  20           HZ2      LYS  20  -4.557  -1.791   8.861
  152    HZ3  LYS  20           HZ3      LYS  20  -3.024  -1.702   9.580
  153    H    LYS  21           H        LYS  21   1.211   2.690   6.149
  154    HA   LYS  21           HA       LYS  21  -0.359   5.028   5.907
  155    HB2  LYS  21           HB2      LYS  21   1.187   4.693   7.803
  156    HB3  LYS  21           HB3      LYS  21   2.549   4.800   6.698
  157    HG2  LYS  21           HG2      LYS  21   2.251   6.898   7.874
  158    HG3  LYS  21           HG3      LYS  21   1.917   7.110   6.155
  159    HD2  LYS  21           HD2      LYS  21  -0.511   6.910   6.639
  160    HD3  LYS  21           HD3      LYS  21  -0.131   6.792   8.357
  161    HE2  LYS  21           HE2      LYS  21   0.501   9.104   6.545
  162    HE3  LYS  21           HE3      LYS  21  -0.819   9.054   7.712
  163    HZ1  LYS  21           HZ1      LYS  21   0.880   8.809   9.468
  164    HZ2  LYS  21           HZ2      LYS  21   1.017  10.247   8.633
  165    HZ3  LYS  21           HZ3      LYS  21   2.094   8.998   8.307
  166    H    ALA  22           H        ALA  22   2.383   3.728   4.120
  167    HA   ALA  22           HA       ALA  22   2.883   6.010   2.545
  168    HB1  ALA  22           HB1      ALA  22   3.325   3.101   1.874
  169    HB2  ALA  22           HB2      ALA  22   4.465   4.149   2.718
  170    HB3  ALA  22           HB3      ALA  22   4.047   4.470   1.033
  171    H    CYS  23           H        CYS  23   0.882   3.153   2.004
  172    HA   CYS  23           HA       CYS  23  -0.215   3.766  -0.475
  173    HB2  CYS  23           HB2      CYS  23  -1.507   2.386   1.882
  174    HB3  CYS  23           HB3      CYS  23  -2.150   2.363   0.248
  175    H    ALA  24           H        ALA  24  -1.326   4.639   2.764
  176    HA   ALA  24           HA       ALA  24  -3.606   6.048   1.931
  177    HB1  ALA  24           HB1      ALA  24  -1.982   6.366   4.444
  178    HB2  ALA  24           HB2      ALA  24  -3.287   5.206   4.188
  179    HB3  ALA  24           HB3      ALA  24  -3.633   6.937   4.190
  180    H    ASP  25           H        ASP  25  -0.427   7.210   2.996
  181    HA   ASP  25           HA       ASP  25  -0.890   9.937   2.759
  182    HB2  ASP  25           HB2      ASP  25   1.009   8.957   3.969
  183    HB3  ASP  25           HB3      ASP  25   1.725   8.461   2.443
  184    H    ALA  26           H        ALA  26   0.294   7.679   0.329
  185    HA   ALA  26           HA       ALA  26   0.719   9.815  -1.552
  186    HB1  ALA  26           HB1      ALA  26   1.464   8.111  -3.077
  187    HB2  ALA  26           HB2      ALA  26   0.869   6.851  -1.996
  188    HB3  ALA  26           HB3      ALA  26   2.204   7.886  -1.491
  189    H    PHE  27           H        PHE  27  -2.040   7.953  -0.707
  190    HA   PHE  27           HA       PHE  27  -3.099   8.519  -3.392
  191    HB2  PHE  27           HB2      PHE  27  -3.588   6.114  -1.681
  192    HB3  PHE  27           HB3      PHE  27  -4.749   6.593  -2.913
  193    HD1  PHE  27           HD1      PHE  27  -1.740   4.682  -2.296
  194    HD2  PHE  27           HD2      PHE  27  -3.810   6.973  -5.270
  195    HE1  PHE  27           HE1      PHE  27  -0.527   3.559  -4.010
  196    HE2  PHE  27           HE2      PHE  27  -2.526   5.834  -7.002
  197    HZ   PHE  27           HZ       PHE  27  -0.868   4.119  -6.383
  198    H    ALA  28           H        ALA  28  -4.014   8.242  -0.025
  199    HA   ALA  28           HA       ALA  28  -6.393   9.844  -0.613
  200    HB1  ALA  28           HB1      ALA  28  -6.818   7.632   0.362
  201    HB2  ALA  28           HB2      ALA  28  -7.327   8.933   1.434
  202    HB3  ALA  28           HB3      ALA  28  -5.827   8.062   1.755
  203    H    ASN  29           H        ASN  29  -3.451  10.432   0.021
  204    HA   ASN  29           HA       ASN  29  -2.229  12.092   0.911
  205    HB2  ASN  29           HB2      ASN  29  -4.942  13.344   1.350
  206    HB3  ASN  29           HB3      ASN  29  -3.432  14.178   1.697
  207   HD21  ASN  29          HD21      ASN  29  -5.553  14.793  -0.218
  208   HD22  ASN  29          HD22      ASN  29  -4.801  14.859  -1.761
  209    H    GLY  30           H        GLY  30  -3.269   9.896   2.643
  210    HA2  GLY  30           HA2      GLY  30  -1.951   9.708   4.777
  211    HA3  GLY  30           HA3      GLY  30  -2.718  11.224   5.230
  212    H    ASP  31           H        ASP  31  -5.189  10.125   3.834
  213    HA   ASP  31           HA       ASP  31  -6.386   9.087   6.207
  214    HB2  ASP  31           HB2      ASP  31  -7.720  10.517   4.868
  215    HB3  ASP  31           HB3      ASP  31  -7.450   9.540   3.429
  216    H    GLN  32           H        GLN  32  -6.446   7.090   6.849
  217    HA   GLN  32           HA       GLN  32  -5.850   4.949   4.989
  218    HB2  GLN  32           HB2      GLN  32  -6.032   4.962   8.001
  219    HB3  GLN  32           HB3      GLN  32  -5.573   3.578   7.021
  220    HG2  GLN  32           HG2      GLN  32  -3.665   4.852   6.159
  221    HG3  GLN  32           HG3      GLN  32  -4.111   6.193   7.198
  222   HE21  GLN  32          HE21      GLN  32  -1.715   4.532   7.083
  223   HE22  GLN  32          HE22      GLN  32  -1.501   3.920   8.693
  224    H    SER  33           H        SER  33  -8.615   6.446   5.678
  225    HA   SER  33           HA       SER  33 -10.204   4.185   6.444
  226    HB2  SER  33           HB2      SER  33 -10.771   6.521   7.123
  227    HB3  SER  33           HB3      SER  33 -11.079   6.907   5.432
  228    HG   SER  33           HG       SER  33 -12.818   5.672   5.427
  229    H    LYS  34           H        LYS  34  -9.030   5.573   3.557
  230    HA   LYS  34           HA       LYS  34 -10.946   4.145   1.891
  231    HB2  LYS  34           HB2      LYS  34  -8.566   5.832   1.108
  232    HB3  LYS  34           HB3      LYS  34  -9.790   5.210   0.007
  233    HG2  LYS  34           HG2      LYS  34 -11.489   6.523   1.153
  234    HG3  LYS  34           HG3      LYS  34 -10.266   7.129   2.264
  235    HD2  LYS  34           HD2      LYS  34  -9.069   8.098   0.299
  236    HD3  LYS  34           HD3      LYS  34 -10.445   7.617  -0.704
  237    HE2  LYS  34           HE2      LYS  34 -10.689   9.925  -0.051
  238    HE3  LYS  34           HE3      LYS  34 -11.928   8.954   0.745
  239    HZ1  LYS  34           HZ1      LYS  34  -9.470  10.100   1.932
  240    HZ2  LYS  34           HZ2      LYS  34 -10.330   8.921   2.725
  241    HZ3  LYS  34           HZ3      LYS  34 -11.054  10.406   2.376
  242    H    ILE  35           H        ILE  35  -8.403   3.254   3.612
  243    HA   ILE  35           HA       ILE  35  -7.332   1.451   1.567
  244    HB   ILE  35           HB       ILE  35  -6.124   2.227   4.248
  245   HG12  ILE  35          HG12      ILE  35  -6.049   4.115   2.677
  246   HG13  ILE  35          HG13      ILE  35  -4.436   3.479   2.965
  247   HG21  ILE  35          HG21      ILE  35  -4.093   1.078   3.453
  248   HG22  ILE  35          HG22      ILE  35  -4.971   0.555   2.013
  249   HG23  ILE  35          HG23      ILE  35  -5.468  -0.017   3.599
  250   HD11  ILE  35          HD11      ILE  35  -4.532   2.309   0.805
  251   HD12  ILE  35          HD12      ILE  35  -4.742   4.051   0.630
  252   HD13  ILE  35          HD13      ILE  35  -6.142   2.981   0.530
  253    H    ALA  36           H        ALA  36  -7.861  -0.633   1.741
  254    HA   ALA  36           HA       ALA  36  -9.381  -1.542   4.028
  255    HB1  ALA  36           HB1      ALA  36  -9.568  -3.652   2.767
  256    HB2  ALA  36           HB2      ALA  36  -8.448  -3.026   1.557
  257    HB3  ALA  36           HB3      ALA  36 -10.028  -2.271   1.769
  258    H    LYS  37           H        LYS  37  -6.300  -2.159   2.441
  259    HA   LYS  37           HA       LYS  37  -4.888  -2.566   4.805
  260    HB2  LYS  37           HB2      LYS  37  -4.183  -4.929   4.348
  261    HB3  LYS  37           HB3      LYS  37  -5.828  -4.761   4.969
  262    HG2  LYS  37           HG2      LYS  37  -6.706  -5.147   2.739
  263    HG3  LYS  37           HG3      LYS  37  -5.074  -5.186   2.078
  264    HD2  LYS  37           HD2      LYS  37  -6.003  -7.450   2.361
  265    HD3  LYS  37           HD3      LYS  37  -4.577  -7.196   3.365
  266    HE2  LYS  37           HE2      LYS  37  -5.987  -6.807   5.303
  267    HE3  LYS  37           HE3      LYS  37  -7.433  -6.982   4.314
  268    HZ1  LYS  37           HZ1      LYS  37  -6.853  -8.948   5.614
  269    HZ2  LYS  37           HZ2      LYS  37  -5.417  -9.128   4.757
  270    HZ3  LYS  37           HZ3      LYS  37  -6.918  -9.281   3.969
  271    H    ALA  38           H        ALA  38  -2.665  -3.445   4.228
  272    HA   ALA  38           HA       ALA  38  -1.868  -3.028   1.491
  273    HB1  ALA  38           HB1      ALA  38  -0.096  -1.466   2.148
  274    HB2  ALA  38           HB2      ALA  38  -0.715  -1.457   3.797
  275    HB3  ALA  38           HB3      ALA  38  -1.692  -0.796   2.481
  276    H    GLU  39           H        GLU  39  -0.305  -4.440   1.042
  277    HA   GLU  39           HA       GLU  39   1.031  -5.755   3.290
  278    HB2  GLU  39           HB2      GLU  39  -1.034  -7.026   2.696
  279    HB3  GLU  39           HB3      GLU  39  -0.410  -7.228   1.070
  280    HG2  GLU  39           HG2      GLU  39   1.435  -8.545   1.911
  281    HG3  GLU  39           HG3      GLU  39   0.893  -8.271   3.564
  282    H    ASN  40           H        ASN  40   2.893  -7.029   2.569
  283    HA   ASN  40           HA       ASN  40   4.528  -5.637   0.742
  284    HB2  ASN  40           HB2      ASN  40   5.480  -6.917   2.598
  285    HB3  ASN  40           HB3      ASN  40   4.855  -8.410   1.910
  286   HD21  ASN  40          HD21      ASN  40   7.246  -5.950   1.659
  287   HD22  ASN  40          HD22      ASN  40   8.269  -6.782   0.532
  288    H    PHE  41           H        PHE  41   4.697  -5.799  -1.359
  289    HA   PHE  41           HA       PHE  41   3.233  -7.913  -2.762
  290    HB2  PHE  41           HB2      PHE  41   2.718  -5.605  -3.410
  291    HB3  PHE  41           HB3      PHE  41   4.413  -5.292  -3.708
  292    HD1  PHE  41           HD1      PHE  41   5.433  -5.866  -5.780
  293    HD2  PHE  41           HD2      PHE  41   1.436  -7.102  -4.962
  294    HE1  PHE  41           HE1      PHE  41   5.163  -6.483  -8.119
  295    HE2  PHE  41           HE2      PHE  41   1.154  -7.723  -7.323
  296    HZ   PHE  41           HZ       PHE  41   3.015  -7.418  -8.910
  297    H    LYS  42           H        LYS  42   6.410  -6.384  -2.535
  298    HA   LYS  42           HA       LYS  42   7.877  -8.670  -3.226
  299    HB2  LYS  42           HB2      LYS  42   6.962  -8.128  -5.490
  300    HB3  LYS  42           HB3      LYS  42   7.526  -6.486  -5.338
  301    HG2  LYS  42           HG2      LYS  42   8.877  -7.809  -6.883
  302    HG3  LYS  42           HG3      LYS  42   9.812  -7.220  -5.518
  303    HD2  LYS  42           HD2      LYS  42   9.798  -9.401  -4.495
  304    HD3  LYS  42           HD3      LYS  42   8.653 -10.003  -5.691
  305    HE2  LYS  42           HE2      LYS  42  10.977 -10.752  -6.126
  306    HE3  LYS  42           HE3      LYS  42  10.313  -9.806  -7.448
  307    HZ1  LYS  42           HZ1      LYS  42  11.590  -7.894  -6.674
  308    HZ2  LYS  42           HZ2      LYS  42  12.589  -9.190  -6.954
  309    HZ3  LYS  42           HZ3      LYS  42  12.183  -8.789  -5.365
  310    H    ASP  43           H        ASP  43  10.290  -7.636  -3.665
  311    HA   ASP  43           HA       ASP  43  10.952  -6.122  -1.390
  312    HB2  ASP  43           HB2      ASP  43  12.613  -6.183  -3.913
  313    HB3  ASP  43           HB3      ASP  43  13.159  -5.968  -2.265
  314    H    TYR  44           H        TYR  44  10.622  -4.068  -1.043
  315    HA   TYR  44           HA       TYR  44  10.384  -1.851  -1.281
  316    HB2  TYR  44           HB2      TYR  44  11.491  -2.268  -4.067
  317    HB3  TYR  44           HB3      TYR  44  11.117  -0.696  -3.378
  318    HD1  TYR  44           HD1      TYR  44  13.410  -3.541  -3.323
  319    HD2  TYR  44           HD2      TYR  44  12.511   0.248  -1.644
  320    HE1  TYR  44           HE1      TYR  44  15.651  -3.453  -2.353
  321    HE2  TYR  44           HE2      TYR  44  14.748   0.361  -0.661
  322    HH   TYR  44           HH       TYR  44  16.502  -1.257   0.021
  323    H    TYR  45           H        TYR  45   8.322  -3.904  -2.212
  324    HA   TYR  45           HA       TYR  45   6.579  -1.893  -3.455
  325    HB2  TYR  45           HB2      TYR  45   6.800  -4.794  -4.240
  326    HB3  TYR  45           HB3      TYR  45   5.475  -3.741  -4.711
  327    HD1  TYR  45           HD1      TYR  45   5.968  -1.765  -6.121
  328    HD2  TYR  45           HD2      TYR  45   8.832  -4.810  -5.450
  329    HE1  TYR  45           HE1      TYR  45   7.216  -1.037  -8.118
  330    HE2  TYR  45           HE2      TYR  45  10.082  -4.105  -7.423
  331    HH   TYR  45           HH       TYR  45   9.725  -2.919  -9.469
  332    H    CYS  46           H        CYS  46   4.683  -1.716  -2.719
  333    HA   CYS  46           HA       CYS  46   3.688  -3.696  -0.780
  334    HB2  CYS  46           HB2      CYS  46   3.321  -0.686  -0.632
  335    HB3  CYS  46           HB3      CYS  46   2.591  -1.858   0.457
  336    H    ASN  47           H        ASN  47   1.664  -4.373  -1.181
  337    HA   ASN  47           HA       ASN  47   0.320  -3.251  -3.515
  338    HB2  ASN  47           HB2      ASN  47   0.680  -5.732  -3.402
  339    HB3  ASN  47           HB3      ASN  47  -0.278  -5.775  -1.929
  340   HD21  ASN  47          HD21      ASN  47  -2.502  -5.840  -2.104
  341   HD22  ASN  47          HD22      ASN  47  -3.310  -5.914  -3.613
  342    H    CYS  48           H        CYS  48  -0.980  -1.680  -3.106
  343    HA   CYS  48           HA       CYS  48  -2.118  -1.368  -0.471
  344    HB2  CYS  48           HB2      CYS  48  -2.228   0.467  -2.888
  345    HB3  CYS  48           HB3      CYS  48  -2.682   0.833  -1.220
  346    H    HIS  49           H        HIS  49  -4.145  -1.980  -0.030
  347    HA   HIS  49           HA       HIS  49  -5.832  -2.747  -2.272
  348    HB2  HIS  49           HB2      HIS  49  -6.108  -3.314   0.698
  349    HB3  HIS  49           HB3      HIS  49  -7.138  -3.970  -0.568
  350    HD1  HIS  49           HD3      HIS  49  -6.551  -6.399  -1.027
  351    HD2  HIS  49           HD2      HIS  49  -3.240  -4.161   0.123
  352    HE1  HIS  49           HE1      HIS  49  -4.627  -8.004  -0.928
  353    H    ILE  50           H        ILE  50  -6.479  -0.749  -2.844
  354    HA   ILE  50           HA       ILE  50  -7.403   1.076  -0.793
  355    HB   ILE  50           HB       ILE  50  -7.379   1.553  -3.788
  356   HG12  ILE  50          HG12      ILE  50  -5.122   2.111  -1.841
  357   HG13  ILE  50          HG13      ILE  50  -5.118   0.785  -2.994
  358   HG21  ILE  50          HG21      ILE  50  -8.596   3.133  -2.351
  359   HG22  ILE  50          HG22      ILE  50  -7.139   3.892  -3.032
  360   HG23  ILE  50          HG23      ILE  50  -7.143   3.299  -1.365
  361   HD11  ILE  50          HD11      ILE  50  -5.188   2.390  -4.833
  362   HD12  ILE  50          HD12      ILE  50  -3.792   2.657  -3.786
  363   HD13  ILE  50          HD13      ILE  50  -5.197   3.717  -3.670
  364    H    ILE  51           H        ILE  51  -9.520   1.398  -0.428
  365    HA   ILE  51           HA       ILE  51 -11.398  -0.424  -1.573
  366    HB   ILE  51           HB       ILE  51 -11.889   2.001   0.205
  367   HG12  ILE  51          HG12      ILE  51 -11.589  -0.915   0.958
  368   HG13  ILE  51          HG13      ILE  51 -10.352   0.312   1.191
  369   HG21  ILE  51          HG21      ILE  51 -14.011   0.871   0.770
  370   HG22  ILE  51          HG22      ILE  51 -13.642  -0.390  -0.408
  371   HG23  ILE  51          HG23      ILE  51 -13.916   1.266  -0.948
  372   HD11  ILE  51          HD11      ILE  51 -11.527  -0.164   3.258
  373   HD12  ILE  51          HD12      ILE  51 -13.062   0.246   2.493
  374   HD13  ILE  51          HD13      ILE  51 -11.839   1.494   2.738
  375    H    ILE  52           H        ILE  52 -12.733  -0.073  -3.266
  376    HA   ILE  52           HA       ILE  52 -12.249   2.007  -5.072
  377    HB   ILE  52           HB       ILE  52 -14.664   0.199  -4.866
  378   HG12  ILE  52          HG12      ILE  52 -12.201  -0.012  -6.615
  379   HG13  ILE  52          HG13      ILE  52 -12.519  -0.979  -5.183
  380   HG21  ILE  52          HG21      ILE  52 -15.084   0.755  -7.231
  381   HG22  ILE  52          HG22      ILE  52 -13.766   1.925  -7.179
  382   HG23  ILE  52          HG23      ILE  52 -15.205   2.174  -6.191
  383   HD11  ILE  52          HD11      ILE  52 -14.465  -1.966  -6.280
  384   HD12  ILE  52          HD12      ILE  52 -12.991  -2.222  -7.215
  385   HD13  ILE  52          HD13      ILE  52 -14.151  -0.988  -7.713
  386    H    HIS  53           H        HIS  53 -15.112   1.513  -2.992
  387    HA   HIS  53           HA       HIS  53 -15.836   4.281  -3.542
  388    HB2  HIS  53           HB2      HIS  53 -17.542   2.485  -3.924
  389    HB3  HIS  53           HB3      HIS  53 -17.494   2.112  -2.213
  390    HD1  HIS  53           HD3      HIS  53 -18.809   4.614  -4.650
  391    HD2  HIS  53           HD2      HIS  53 -18.850   3.909  -0.563
  392    HE1  HIS  53           HE1      HIS  53 -20.505   6.217  -3.702
  Start of MODEL   19
    1    H1   GLU   1          1HT       GLU   1 -15.974  -2.869  -3.567
    2    H2   GLU   1          2HT       GLU   1 -15.195  -4.338  -3.425
    3    H3   GLU   1          3HT       GLU   1 -16.425  -4.173  -4.562
    4    HA   GLU   1           HA       GLU   1 -14.315  -4.244  -5.590
    5    HB2  GLU   1           HB2      GLU   1 -15.594  -1.521  -5.612
    6    HB3  GLU   1           HB3      GLU   1 -14.271  -1.949  -6.690
    7    HG2  GLU   1           HG2      GLU   1 -15.593  -3.710  -7.664
    8    HG3  GLU   1           HG3      GLU   1 -16.904  -3.387  -6.536
    9    H    GLU   2           H        GLU   2 -12.298  -4.287  -5.174
   10    HA   GLU   2           HA       GLU   2 -11.068  -2.241  -3.450
   11    HB2  GLU   2           HB2      GLU   2 -11.429  -4.438  -2.318
   12    HB3  GLU   2           HB3      GLU   2 -10.454  -5.199  -3.559
   13    HG2  GLU   2           HG2      GLU   2  -8.574  -3.660  -2.824
   14    HG3  GLU   2           HG3      GLU   2  -9.603  -3.229  -1.484
   15    H    THR   3           H        THR   3  -9.486  -1.219  -4.563
   16    HA   THR   3           HA       THR   3  -8.421  -2.424  -7.005
   17    HB   THR   3           HB       THR   3  -7.846   0.327  -5.902
   18    HG1  THR   3           HG1      THR   3 -10.012  -0.589  -7.505
   19   HG21  THR   3          HG21      THR   3  -6.397  -0.440  -7.707
   20   HG22  THR   3          HG22      THR   3  -7.471   0.842  -8.282
   21   HG23  THR   3          HG23      THR   3  -7.808  -0.839  -8.686
   22    H    GLU   4           H        GLU   4  -6.415  -3.321  -6.963
   23    HA   GLU   4           HA       GLU   4  -4.742  -2.779  -4.639
   24    HB2  GLU   4           HB2      GLU   4  -4.782  -5.084  -6.573
   25    HB3  GLU   4           HB3      GLU   4  -3.554  -4.855  -5.332
   26    HG2  GLU   4           HG2      GLU   4  -5.202  -5.024  -3.599
   27    HG3  GLU   4           HG3      GLU   4  -6.496  -5.111  -4.793
   28    H    GLU   5           H        GLU   5  -3.236  -1.424  -4.940
   29    HA   GLU   5           HA       GLU   5  -2.083  -1.067  -7.628
   30    HB2  GLU   5           HB2      GLU   5  -3.458   0.831  -6.710
   31    HB3  GLU   5           HB3      GLU   5  -2.276   0.985  -5.423
   32    HG2  GLU   5           HG2      GLU   5  -1.778   2.631  -7.057
   33    HG3  GLU   5           HG3      GLU   5  -0.540   1.379  -7.183
   34    HA   PRO   6           HA       PRO   6   1.602  -2.273  -5.233
   35    HB2  PRO   6           HB2      PRO   6   2.948  -2.376  -7.806
   36    HB3  PRO   6           HB3      PRO   6   2.615  -3.696  -6.686
   37    HG2  PRO   6           HG2      PRO   6   1.389  -3.458  -9.111
   38    HG3  PRO   6           HG3      PRO   6   0.637  -4.246  -7.714
   39    HD2  PRO   6           HD2      PRO   6   0.187  -1.505  -8.816
   40    HD3  PRO   6           HD3      PRO   6  -0.974  -2.667  -8.134
   41    H    ILE   7           H        ILE   7   2.520  -0.578  -4.319
   42    HA   ILE   7           HA       ILE   7   3.470   1.695  -5.953
   43    HB   ILE   7           HB       ILE   7   3.337   3.080  -3.915
   44   HG12  ILE   7          HG12      ILE   7   2.338   0.694  -2.409
   45   HG13  ILE   7          HG13      ILE   7   4.075   1.002  -2.473
   46   HG21  ILE   7          HG21      ILE   7   0.980   1.334  -4.309
   47   HG22  ILE   7          HG22      ILE   7   1.348   2.864  -5.120
   48   HG23  ILE   7          HG23      ILE   7   1.020   2.823  -3.382
   49   HD11  ILE   7          HD11      ILE   7   1.956   2.850  -1.440
   50   HD12  ILE   7          HD12      ILE   7   3.691   3.193  -1.554
   51   HD13  ILE   7          HD13      ILE   7   3.116   1.910  -0.477
   52    H    ARG   8           H        ARG   8   5.479   2.729  -5.024
   53    HA   ARG   8           HA       ARG   8   7.389   0.573  -4.485
   54    HB2  ARG   8           HB2      ARG   8   7.985   3.388  -5.414
   55    HB3  ARG   8           HB3      ARG   8   9.099   2.027  -5.343
   56    HG2  ARG   8           HG2      ARG   8   7.671   0.885  -6.983
   57    HG3  ARG   8           HG3      ARG   8   6.790   2.398  -7.188
   58    HD2  ARG   8           HD2      ARG   8   9.727   1.925  -7.684
   59    HD3  ARG   8           HD3      ARG   8   8.471   2.177  -8.890
   60    HE   ARG   8           HE       ARG   8   8.677   4.359  -7.065
   61   HH11  ARG   8          HH11      ARG   8   9.990   2.971 -10.039
   62   HH12  ARG   8          HH12      ARG   8  10.653   4.447 -10.586
   63   HH21  ARG   8          HH21      ARG   8   9.628   6.402  -7.845
   64   HH22  ARG   8          HH22      ARG   8  10.450   6.382  -9.340
   65    H    HIS   9           H        HIS   9   8.442   0.506  -2.593
   66    HA   HIS   9           HA       HIS   9   8.389   2.872  -0.857
   67    HB2  HIS   9           HB2      HIS   9   6.604   1.188  -0.213
   68    HB3  HIS   9           HB3      HIS   9   7.886   0.015   0.041
   69    HD1  HIS   9           HD3      HIS   9   9.480   0.481   2.137
   70    HD2  HIS   9           HD2      HIS   9   6.139   2.921   1.831
   71    HE1  HIS   9           HE1      HIS   9   9.208   1.580   4.393
   72    H    ALA  10           H        ALA  10  10.419   3.256  -0.012
   73    HA   ALA  10           HA       ALA  10  12.490   1.515  -0.954
   74    HB1  ALA  10           HB1      ALA  10  12.795   4.015   0.704
   75    HB2  ALA  10           HB2      ALA  10  12.764   3.961  -1.058
   76    HB3  ALA  10           HB3      ALA  10  14.073   3.173  -0.174
   77    H    LYS  11           H        LYS  11  11.800  -0.306   0.245
   78    HA   LYS  11           HA       LYS  11  13.504  -0.920   2.391
   79    HB2  LYS  11           HB2      LYS  11  11.689   0.341   3.633
   80    HB3  LYS  11           HB3      LYS  11  10.522  -0.783   2.981
   81    HG2  LYS  11           HG2      LYS  11  11.010  -1.350   5.268
   82    HG3  LYS  11           HG3      LYS  11  11.612  -2.616   4.204
   83    HD2  LYS  11           HD2      LYS  11  13.216  -2.106   5.990
   84    HD3  LYS  11           HD3      LYS  11  13.872  -1.716   4.402
   85    HE2  LYS  11           HE2      LYS  11  13.434   0.627   4.742
   86    HE3  LYS  11           HE3      LYS  11  12.616   0.295   6.266
   87    HZ1  LYS  11           HZ1      LYS  11  14.683  -0.495   7.169
   88    HZ2  LYS  11           HZ2      LYS  11  14.884   1.072   6.583
   89    HZ3  LYS  11           HZ3      LYS  11  15.482  -0.236   5.696
   90    H    LYS  12           H        LYS  12  13.811  -3.116   2.133
   91    HA   LYS  12           HA       LYS  12  12.801  -4.474  -0.074
   92    HB2  LYS  12           HB2      LYS  12  14.860  -5.113   1.091
   93    HB3  LYS  12           HB3      LYS  12  13.928  -5.617   2.486
   94    HG2  LYS  12           HG2      LYS  12  12.808  -7.294   0.965
   95    HG3  LYS  12           HG3      LYS  12  14.058  -6.900  -0.219
   96    HD2  LYS  12           HD2      LYS  12  15.787  -7.518   1.393
   97    HD3  LYS  12           HD3      LYS  12  14.547  -7.872   2.588
   98    HE2  LYS  12           HE2      LYS  12  15.043  -9.298  -0.006
   99    HE3  LYS  12           HE3      LYS  12  15.282  -9.940   1.618
  100    HZ1  LYS  12           HZ1      LYS  12  12.758  -9.307   0.236
  101    HZ2  LYS  12           HZ2      LYS  12  12.775  -9.600   1.889
  102    HZ3  LYS  12           HZ3      LYS  12  13.248 -10.802   0.805
  103    H    ASN  13           H        ASN  13  11.935  -4.885   3.329
  104    HA   ASN  13           HA       ASN  13   9.280  -5.749   2.519
  105    HB2  ASN  13           HB2      ASN  13  10.642  -7.792   2.914
  106    HB3  ASN  13           HB3      ASN  13  10.983  -7.226   4.541
  107   HD21  ASN  13          HD21      ASN  13   8.585  -8.565   2.435
  108   HD22  ASN  13          HD22      ASN  13   7.446  -8.952   3.676
  109    HA   PRO  14           HA       PRO  14   9.087  -2.653   5.841
  110    HB2  PRO  14           HB2      PRO  14   6.699  -1.646   4.631
  111    HB3  PRO  14           HB3      PRO  14   8.290  -0.887   4.669
  112    HG2  PRO  14           HG2      PRO  14   7.033  -1.871   2.403
  113    HG3  PRO  14           HG3      PRO  14   8.765  -1.558   2.539
  114    HD2  PRO  14           HD2      PRO  14   7.268  -4.112   2.716
  115    HD3  PRO  14           HD3      PRO  14   8.898  -3.788   2.075
  116    H    SER  15           H        SER  15   7.547  -2.340   7.524
  117    HA   SER  15           HA       SER  15   5.941  -4.549   8.194
  118    HB2  SER  15           HB2      SER  15   5.748  -1.757   9.311
  119    HB3  SER  15           HB3      SER  15   5.539  -3.298  10.153
  120    HG   SER  15           HG       SER  15   7.663  -3.593  10.218
  121    H    GLU  16           H        GLU  16   3.535  -4.415   8.469
  122    HA   GLU  16           HA       GLU  16   2.167  -3.484   6.228
  123    HB2  GLU  16           HB2      GLU  16   1.292  -5.226   7.761
  124    HB3  GLU  16           HB3      GLU  16   1.044  -3.998   8.993
  125    HG2  GLU  16           HG2      GLU  16  -0.543  -2.856   7.522
  126    HG3  GLU  16           HG3      GLU  16  -0.320  -4.112   6.313
  127    H    GLY  17           H        GLY  17   2.653  -2.003   9.387
  128    HA2  GLY  17           HA2      GLY  17   1.036   0.256   9.088
  129    HA3  GLY  17           HA3      GLY  17   2.465   0.161  10.107
  130    H    GLU  18           H        GLU  18   4.300  -0.350   7.941
  131    HA   GLU  18           HA       GLU  18   4.877   2.334   7.186
  132    HB2  GLU  18           HB2      GLU  18   6.052  -0.293   6.296
  133    HB3  GLU  18           HB3      GLU  18   6.684   1.278   5.819
  134    HG2  GLU  18           HG2      GLU  18   6.459   0.274   8.633
  135    HG3  GLU  18           HG3      GLU  18   7.931   0.269   7.664
  136    H    CYS  19           H        CYS  19   3.937  -0.557   5.360
  137    HA   CYS  19           HA       CYS  19   3.638   0.715   2.892
  138    HB2  CYS  19           HB2      CYS  19   2.312  -1.739   4.017
  139    HB3  CYS  19           HB3      CYS  19   2.107  -1.244   2.352
  140    H    LYS  20           H        LYS  20   1.327   0.176   5.519
  141    HA   LYS  20           HA       LYS  20  -0.957   1.071   4.178
  142    HB2  LYS  20           HB2      LYS  20  -0.798  -0.272   6.295
  143    HB3  LYS  20           HB3      LYS  20  -0.442   1.217   7.149
  144    HG2  LYS  20           HG2      LYS  20  -2.639   2.101   6.550
  145    HG3  LYS  20           HG3      LYS  20  -2.988   0.634   5.632
  146    HD2  LYS  20           HD2      LYS  20  -2.545   0.842   8.624
  147    HD3  LYS  20           HD3      LYS  20  -4.062   0.474   7.804
  148    HE2  LYS  20           HE2      LYS  20  -2.998  -1.607   6.897
  149    HE3  LYS  20           HE3      LYS  20  -1.564  -1.208   7.840
  150    HZ1  LYS  20           HZ1      LYS  20  -2.844  -2.816   9.021
  151    HZ2  LYS  20           HZ2      LYS  20  -4.239  -1.871   8.899
  152    HZ3  LYS  20           HZ3      LYS  20  -2.981  -1.352   9.859
  153    H    LYS  21           H        LYS  21   1.375   2.738   6.240
  154    HA   LYS  21           HA       LYS  21   0.112   5.244   6.249
  155    HB2  LYS  21           HB2      LYS  21   1.801   4.610   7.862
  156    HB3  LYS  21           HB3      LYS  21   3.027   4.505   6.603
  157    HG2  LYS  21           HG2      LYS  21   3.286   6.529   7.899
  158    HG3  LYS  21           HG3      LYS  21   2.800   6.931   6.252
  159    HD2  LYS  21           HD2      LYS  21   0.539   7.304   6.939
  160    HD3  LYS  21           HD3      LYS  21   0.880   6.704   8.564
  161    HE2  LYS  21           HE2      LYS  21   2.109   9.159   7.313
  162    HE3  LYS  21           HE3      LYS  21   0.767   9.152   8.454
  163    HZ1  LYS  21           HZ1      LYS  21   2.225   8.121  10.093
  164    HZ2  LYS  21           HZ2      LYS  21   2.850   9.598   9.564
  165    HZ3  LYS  21           HZ3      LYS  21   3.502   8.167   9.004
  166    H    ALA  22           H        ALA  22   2.641   3.857   4.184
  167    HA   ALA  22           HA       ALA  22   3.073   6.121   2.578
  168    HB1  ALA  22           HB1      ALA  22   4.615   4.226   2.663
  169    HB2  ALA  22           HB2      ALA  22   4.121   4.565   1.002
  170    HB3  ALA  22           HB3      ALA  22   3.412   3.205   1.874
  171    H    CYS  23           H        CYS  23   1.006   3.274   2.077
  172    HA   CYS  23           HA       CYS  23  -0.159   4.018  -0.334
  173    HB2  CYS  23           HB2      CYS  23  -1.316   2.404   1.942
  174    HB3  CYS  23           HB3      CYS  23  -2.074   2.559   0.365
  175    H    ALA  24           H        ALA  24  -1.110   4.806   2.972
  176    HA   ALA  24           HA       ALA  24  -3.494   6.122   2.302
  177    HB1  ALA  24           HB1      ALA  24  -3.319   7.114   4.520
  178    HB2  ALA  24           HB2      ALA  24  -1.638   6.578   4.626
  179    HB3  ALA  24           HB3      ALA  24  -2.943   5.391   4.540
  180    H    ASP  25           H        ASP  25  -0.298   7.384   3.044
  181    HA   ASP  25           HA       ASP  25  -0.832  10.098   2.742
  182    HB2  ASP  25           HB2      ASP  25   1.117   9.181   3.903
  183    HB3  ASP  25           HB3      ASP  25   1.775   8.634   2.368
  184    H    ALA  26           H        ALA  26   0.340   7.784   0.355
  185    HA   ALA  26           HA       ALA  26   0.583   9.863  -1.635
  186    HB1  ALA  26           HB1      ALA  26   2.222   8.073  -1.508
  187    HB2  ALA  26           HB2      ALA  26   1.414   8.115  -3.077
  188    HB3  ALA  26           HB3      ALA  26   0.968   6.896  -1.885
  189    H    PHE  27           H        PHE  27  -2.061   8.053  -0.542
  190    HA   PHE  27           HA       PHE  27  -3.147   8.098  -3.257
  191    HB2  PHE  27           HB2      PHE  27  -3.580   6.093  -1.094
  192    HB3  PHE  27           HB3      PHE  27  -4.780   6.295  -2.369
  193    HD1  PHE  27           HD1      PHE  27  -0.998   5.948  -2.098
  194    HD2  PHE  27           HD2      PHE  27  -4.597   4.916  -4.137
  195    HE1  PHE  27           HE1      PHE  27   0.239   4.605  -3.561
  196    HE2  PHE  27           HE2      PHE  27  -3.283   3.500  -5.635
  197    HZ   PHE  27           HZ       PHE  27  -0.854   3.345  -5.361
  198    H    ALA  28           H        ALA  28  -4.223   8.131   0.110
  199    HA   ALA  28           HA       ALA  28  -6.557   9.741  -0.647
  200    HB1  ALA  28           HB1      ALA  28  -7.543   8.942   1.429
  201    HB2  ALA  28           HB2      ALA  28  -6.048   8.092   1.825
  202    HB3  ALA  28           HB3      ALA  28  -7.006   7.590   0.432
  203    H    ASN  29           H        ASN  29  -3.735  10.524  -0.122
  204    HA   ASN  29           HA       ASN  29  -2.615  12.341   0.641
  205    HB2  ASN  29           HB2      ASN  29  -5.380  13.286   1.430
  206    HB3  ASN  29           HB3      ASN  29  -3.937  14.275   1.583
  207   HD21  ASN  29          HD21      ASN  29  -4.827  15.779   0.203
  208   HD22  ASN  29          HD22      ASN  29  -4.930  15.550  -1.506
  209    H    GLY  30           H        GLY  30  -3.299  10.022   2.441
  210    HA2  GLY  30           HA2      GLY  30  -1.889   9.902   4.493
  211    HA3  GLY  30           HA3      GLY  30  -2.643  11.421   4.961
  212    H    ASP  31           H        ASP  31  -5.134   9.970   3.647
  213    HA   ASP  31           HA       ASP  31  -6.069   9.083   6.204
  214    HB2  ASP  31           HB2      ASP  31  -7.615  10.341   4.871
  215    HB3  ASP  31           HB3      ASP  31  -7.470   9.190   3.542
  216    H    GLN  32           H        GLN  32  -6.188   7.117   6.971
  217    HA   GLN  32           HA       GLN  32  -5.354   4.899   5.269
  218    HB2  GLN  32           HB2      GLN  32  -5.586   5.053   8.279
  219    HB3  GLN  32           HB3      GLN  32  -4.975   3.677   7.376
  220    HG2  GLN  32           HG2      GLN  32  -3.171   5.166   6.493
  221    HG3  GLN  32           HG3      GLN  32  -3.744   6.410   7.595
  222   HE21  GLN  32          HE21      GLN  32  -1.765   6.435   8.696
  223   HE22  GLN  32          HE22      GLN  32  -1.306   5.165   9.770
  224    H    SER  33           H        SER  33  -8.262   6.161   5.723
  225    HA   SER  33           HA       SER  33  -9.587   3.676   6.432
  226    HB2  SER  33           HB2      SER  33 -10.714   6.439   5.947
  227    HB3  SER  33           HB3      SER  33 -11.624   5.044   6.542
  228    HG   SER  33           HG       SER  33  -9.669   5.096   8.120
  229    H    LYS  34           H        LYS  34  -9.012   5.823   3.756
  230    HA   LYS  34           HA       LYS  34 -10.708   4.526   1.874
  231    HB2  LYS  34           HB2      LYS  34  -9.781   6.808   1.591
  232    HB3  LYS  34           HB3      LYS  34  -8.176   6.124   1.458
  233    HG2  LYS  34           HG2      LYS  34  -9.040   6.768  -0.724
  234    HG3  LYS  34           HG3      LYS  34  -8.810   5.024  -0.631
  235    HD2  LYS  34           HD2      LYS  34 -11.158   4.671  -0.310
  236    HD3  LYS  34           HD3      LYS  34 -11.456   6.402  -0.182
  237    HE2  LYS  34           HE2      LYS  34 -10.408   4.979  -2.622
  238    HE3  LYS  34           HE3      LYS  34 -12.080   5.477  -2.373
  239    HZ1  LYS  34           HZ1      LYS  34  -9.735   7.309  -2.533
  240    HZ2  LYS  34           HZ2      LYS  34 -11.314   7.788  -2.274
  241    HZ3  LYS  34           HZ3      LYS  34 -10.886   7.070  -3.730
  242    H    ILE  35           H        ILE  35  -7.633   3.859   3.188
  243    HA   ILE  35           HA       ILE  35  -7.026   1.779   1.228
  244    HB   ILE  35           HB       ILE  35  -5.381   2.843   3.554
  245   HG12  ILE  35          HG12      ILE  35  -5.589   4.505   1.774
  246   HG13  ILE  35          HG13      ILE  35  -3.947   3.879   1.834
  247   HG21  ILE  35          HG21      ILE  35  -4.581   0.887   1.399
  248   HG22  ILE  35          HG22      ILE  35  -4.825   0.518   3.104
  249   HG23  ILE  35          HG23      ILE  35  -3.500   1.577   2.612
  250   HD11  ILE  35          HD11      ILE  35  -6.077   3.112  -0.160
  251   HD12  ILE  35          HD12      ILE  35  -4.449   2.441  -0.097
  252   HD13  ILE  35          HD13      ILE  35  -4.682   4.152  -0.459
  253    H    ALA  36           H        ALA  36  -7.612  -0.215   1.661
  254    HA   ALA  36           HA       ALA  36  -8.926  -0.915   4.127
  255    HB1  ALA  36           HB1      ALA  36  -9.280  -3.071   3.055
  256    HB2  ALA  36           HB2      ALA  36  -8.182  -2.615   1.755
  257    HB3  ALA  36           HB3      ALA  36  -9.705  -1.757   1.962
  258    H    LYS  37           H        LYS  37  -6.095  -2.003   2.380
  259    HA   LYS  37           HA       LYS  37  -4.840  -3.000   4.796
  260    HB2  LYS  37           HB2      LYS  37  -6.424  -4.704   3.553
  261    HB3  LYS  37           HB3      LYS  37  -5.158  -4.720   2.347
  262    HG2  LYS  37           HG2      LYS  37  -4.923  -6.624   3.781
  263    HG3  LYS  37           HG3      LYS  37  -3.585  -5.516   4.101
  264    HD2  LYS  37           HD2      LYS  37  -4.450  -4.854   6.144
  265    HD3  LYS  37           HD3      LYS  37  -6.091  -5.348   5.727
  266    HE2  LYS  37           HE2      LYS  37  -5.103  -6.833   7.396
  267    HE3  LYS  37           HE3      LYS  37  -5.434  -7.685   5.894
  268    HZ1  LYS  37           HZ1      LYS  37  -2.772  -6.677   6.755
  269    HZ2  LYS  37           HZ2      LYS  37  -3.076  -7.606   5.350
  270    HZ3  LYS  37           HZ3      LYS  37  -3.322  -8.253   6.877
  271    H    ALA  38           H        ALA  38  -2.529  -3.431   4.177
  272    HA   ALA  38           HA       ALA  38  -1.671  -2.767   1.542
  273    HB1  ALA  38           HB1      ALA  38  -1.878  -0.526   2.521
  274    HB2  ALA  38           HB2      ALA  38  -0.184  -0.955   2.268
  275    HB3  ALA  38           HB3      ALA  38  -0.884  -1.037   3.887
  276    H    GLU  39           H        GLU  39  -0.158  -4.162   1.193
  277    HA   GLU  39           HA       GLU  39   1.498  -5.075   3.444
  278    HB2  GLU  39           HB2      GLU  39  -0.157  -6.878   1.688
  279    HB3  GLU  39           HB3      GLU  39   1.211  -7.461   2.621
  280    HG2  GLU  39           HG2      GLU  39   0.131  -6.769   4.680
  281    HG3  GLU  39           HG3      GLU  39  -1.220  -6.109   3.765
  282    H    ASN  40           H        ASN  40   3.256  -6.607   2.625
  283    HA   ASN  40           HA       ASN  40   4.699  -5.196   0.643
  284    HB2  ASN  40           HB2      ASN  40   5.854  -6.387   2.455
  285    HB3  ASN  40           HB3      ASN  40   5.249  -7.923   1.844
  286   HD21  ASN  40          HD21      ASN  40   7.445  -5.309   1.281
  287   HD22  ASN  40          HD22      ASN  40   8.426  -6.101   0.106
  288    H    PHE  41           H        PHE  41   4.578  -5.341  -1.440
  289    HA   PHE  41           HA       PHE  41   2.940  -7.430  -2.643
  290    HB2  PHE  41           HB2      PHE  41   2.523  -5.078  -3.293
  291    HB3  PHE  41           HB3      PHE  41   4.179  -4.950  -3.843
  292    HD1  PHE  41           HD1      PHE  41   4.775  -5.515  -6.021
  293    HD2  PHE  41           HD2      PHE  41   0.986  -6.754  -4.514
  294    HE1  PHE  41           HE1      PHE  41   4.134  -6.252  -8.252
  295    HE2  PHE  41           HE2      PHE  41   0.337  -7.496  -6.753
  296    HZ   PHE  41           HZ       PHE  41   1.904  -7.251  -8.637
  297    H    LYS  42           H        LYS  42   6.195  -6.159  -2.659
  298    HA   LYS  42           HA       LYS  42   7.358  -8.535  -3.657
  299    HB2  LYS  42           HB2      LYS  42   6.447  -7.382  -5.754
  300    HB3  LYS  42           HB3      LYS  42   7.467  -6.015  -5.370
  301    HG2  LYS  42           HG2      LYS  42   9.442  -7.496  -5.586
  302    HG3  LYS  42           HG3      LYS  42   8.353  -8.788  -6.097
  303    HD2  LYS  42           HD2      LYS  42   7.574  -7.286  -7.949
  304    HD3  LYS  42           HD3      LYS  42   8.815  -6.147  -7.458
  305    HE2  LYS  42           HE2      LYS  42   9.569  -7.507  -9.337
  306    HE3  LYS  42           HE3      LYS  42  10.559  -7.785  -7.907
  307    HZ1  LYS  42           HZ1      LYS  42   8.347  -9.581  -8.801
  308    HZ2  LYS  42           HZ2      LYS  42   9.401  -9.864  -7.525
  309    HZ3  LYS  42           HZ3      LYS  42   9.979  -9.833  -9.094
  310    H    ASP  43           H        ASP  43   9.807  -7.947  -3.786
  311    HA   ASP  43           HA       ASP  43  10.613  -6.576  -1.485
  312    HB2  ASP  43           HB2      ASP  43  12.227  -7.114  -4.001
  313    HB3  ASP  43           HB3      ASP  43  12.893  -6.672  -2.436
  314    H    TYR  44           H        TYR  44  10.528  -4.493  -1.093
  315    HA   TYR  44           HA       TYR  44  10.693  -2.267  -1.255
  316    HB2  TYR  44           HB2      TYR  44  11.879  -2.804  -3.991
  317    HB3  TYR  44           HB3      TYR  44  11.677  -1.184  -3.342
  318    HD1  TYR  44           HD1      TYR  44  13.153  -0.326  -1.704
  319    HD2  TYR  44           HD2      TYR  44  13.472  -4.381  -2.907
  320    HE1  TYR  44           HE1      TYR  44  15.303  -0.486  -0.539
  321    HE2  TYR  44           HE2      TYR  44  15.629  -4.566  -1.751
  322    HH   TYR  44           HH       TYR  44  17.391  -3.190  -0.935
  323    H    TYR  45           H        TYR  45   8.374  -3.914  -2.287
  324    HA   TYR  45           HA       TYR  45   6.867  -1.628  -3.368
  325    HB2  TYR  45           HB2      TYR  45   6.782  -4.471  -4.389
  326    HB3  TYR  45           HB3      TYR  45   5.549  -3.283  -4.742
  327    HD1  TYR  45           HD1      TYR  45   8.928  -4.424  -5.542
  328    HD2  TYR  45           HD2      TYR  45   6.043  -1.377  -6.142
  329    HE1  TYR  45           HE1      TYR  45  10.179  -3.646  -7.499
  330    HE2  TYR  45           HE2      TYR  45   7.287  -0.587  -8.117
  331    HH   TYR  45           HH       TYR  45   9.614  -2.326  -9.652
  332    H    CYS  46           H        CYS  46   4.851  -1.441  -2.710
  333    HA   CYS  46           HA       CYS  46   3.859  -3.416  -0.775
  334    HB2  CYS  46           HB2      CYS  46   3.566  -0.401  -0.607
  335    HB3  CYS  46           HB3      CYS  46   2.712  -1.540   0.425
  336    H    ASN  47           H        ASN  47   1.752  -3.942  -0.936
  337    HA   ASN  47           HA       ASN  47   0.380  -3.145  -3.390
  338    HB2  ASN  47           HB2      ASN  47   0.691  -5.595  -2.784
  339    HB3  ASN  47           HB3      ASN  47  -0.309  -5.295  -1.376
  340   HD21  ASN  47          HD21      ASN  47  -1.856  -6.712  -2.007
  341   HD22  ASN  47          HD22      ASN  47  -2.957  -6.431  -3.291
  342    H    CYS  48           H        CYS  48  -0.965  -1.493  -3.126
  343    HA   CYS  48           HA       CYS  48  -2.122  -0.966  -0.512
  344    HB2  CYS  48           HB2      CYS  48  -2.308   0.733  -3.039
  345    HB3  CYS  48           HB3      CYS  48  -2.745   1.141  -1.384
  346    H    HIS  49           H        HIS  49  -4.154  -1.495  -0.076
  347    HA   HIS  49           HA       HIS  49  -5.813  -2.475  -2.273
  348    HB2  HIS  49           HB2      HIS  49  -6.087  -2.903   0.720
  349    HB3  HIS  49           HB3      HIS  49  -7.104  -3.622  -0.518
  350    HD1  HIS  49           HD3      HIS  49  -6.475  -5.979  -1.053
  351    HD2  HIS  49           HD2      HIS  49  -3.247  -3.764   0.328
  352    HE1  HIS  49           HE1      HIS  49  -4.575  -7.631  -0.701
  353    H    ILE  50           H        ILE  50  -6.872  -0.808  -2.960
  354    HA   ILE  50           HA       ILE  50  -7.668   1.325  -1.127
  355    HB   ILE  50           HB       ILE  50  -8.133   1.360  -4.096
  356   HG12  ILE  50          HG12      ILE  50  -5.510   2.161  -2.819
  357   HG13  ILE  50          HG13      ILE  50  -5.744   0.597  -3.592
  358   HG21  ILE  50          HG21      ILE  50  -7.730   3.761  -3.728
  359   HG22  ILE  50          HG22      ILE  50  -7.332   3.396  -2.044
  360   HG23  ILE  50          HG23      ILE  50  -8.981   3.149  -2.625
  361   HD11  ILE  50          HD11      ILE  50  -6.265   1.732  -5.692
  362   HD12  ILE  50          HD12      ILE  50  -4.664   2.125  -5.080
  363   HD13  ILE  50          HD13      ILE  50  -5.982   3.287  -4.904
  364    H    ILE  51           H        ILE  51  -9.769   1.465  -0.512
  365    HA   ILE  51           HA       ILE  51 -11.587  -0.489  -1.610
  366    HB   ILE  51           HB       ILE  51 -12.114   1.602   0.522
  367   HG12  ILE  51          HG12      ILE  51 -11.457  -1.325   0.850
  368   HG13  ILE  51          HG13      ILE  51 -10.357   0.015   1.180
  369   HG21  ILE  51          HG21      ILE  51 -13.675  -0.874  -0.230
  370   HG22  ILE  51          HG22      ILE  51 -14.138   0.789  -0.574
  371   HG23  ILE  51          HG23      ILE  51 -14.058   0.227   1.097
  372   HD11  ILE  51          HD11      ILE  51 -11.335  -0.861   3.236
  373   HD12  ILE  51          HD12      ILE  51 -12.951  -0.531   2.613
  374   HD13  ILE  51          HD13      ILE  51 -11.848   0.804   2.947
  375    H    ILE  52           H        ILE  52 -12.681   0.129  -3.428
  376    HA   ILE  52           HA       ILE  52 -13.294   2.928  -3.908
  377    HB   ILE  52           HB       ILE  52 -14.383   0.474  -5.359
  378   HG12  ILE  52          HG12      ILE  52 -12.064   2.257  -6.139
  379   HG13  ILE  52          HG13      ILE  52 -11.922   0.606  -5.546
  380   HG21  ILE  52          HG21      ILE  52 -15.745   2.482  -5.651
  381   HG22  ILE  52          HG22      ILE  52 -14.929   2.062  -7.159
  382   HG23  ILE  52          HG23      ILE  52 -14.323   3.388  -6.168
  383   HD11  ILE  52          HD11      ILE  52 -11.677   0.705  -7.961
  384   HD12  ILE  52          HD12      ILE  52 -13.266   1.458  -8.104
  385   HD13  ILE  52          HD13      ILE  52 -13.126  -0.197  -7.516
  386    H    HIS  53           H        HIS  53 -15.082  -0.061  -3.585
  387    HA   HIS  53           HA       HIS  53 -16.527   0.290  -1.370
  388    HB2  HIS  53           HB2      HIS  53 -17.594   2.287  -2.641
  389    HB3  HIS  53           HB3      HIS  53 -18.294   1.091  -3.722
  390    HD1  HIS  53           HD3      HIS  53 -20.664   0.692  -3.105
  391    HD2  HIS  53           HD2      HIS  53 -18.287   1.428   0.209
  392    HE1  HIS  53           HE1      HIS  53 -22.196   0.582  -1.092
  Start of MODEL   20
    1    H1   GLU   1          1HT       GLU   1 -14.503  -7.618  -2.649
    2    H2   GLU   1          2HT       GLU   1 -14.641  -6.048  -3.272
    3    H3   GLU   1          3HT       GLU   1 -14.077  -6.273  -1.717
    4    HA   GLU   1           HA       GLU   1 -12.111  -7.310  -2.487
    5    HB2  GLU   1           HB2      GLU   1 -11.656  -7.346  -4.935
    6    HB3  GLU   1           HB3      GLU   1 -12.990  -8.392  -4.479
    7    HG2  GLU   1           HG2      GLU   1 -14.545  -6.563  -5.167
    8    HG3  GLU   1           HG3      GLU   1 -13.145  -5.700  -5.794
    9    H    GLU   2           H        GLU   2 -10.295  -5.967  -3.607
   10    HA   GLU   2           HA       GLU   2 -11.012  -3.125  -3.406
   11    HB2  GLU   2           HB2      GLU   2  -8.427  -4.269  -2.343
   12    HB3  GLU   2           HB3      GLU   2  -9.010  -2.627  -2.184
   13    HG2  GLU   2           HG2      GLU   2  -9.285  -3.558  -0.058
   14    HG3  GLU   2           HG3      GLU   2 -10.891  -3.640  -0.774
   15    H    THR   3           H        THR   3  -9.356  -1.747  -4.431
   16    HA   THR   3           HA       THR   3  -8.398  -2.935  -6.875
   17    HB   THR   3           HB       THR   3  -8.119  -0.122  -5.795
   18    HG1  THR   3           HG1      THR   3 -10.008   0.329  -6.893
   19   HG21  THR   3          HG21      THR   3  -6.540  -0.652  -7.605
   20   HG22  THR   3          HG22      THR   3  -7.754   0.499  -8.158
   21   HG23  THR   3          HG23      THR   3  -7.875  -1.199  -8.617
   22    H    GLU   4           H        GLU   4  -6.447  -3.829  -6.913
   23    HA   GLU   4           HA       GLU   4  -4.611  -3.387  -4.722
   24    HB2  GLU   4           HB2      GLU   4  -4.391  -5.213  -7.099
   25    HB3  GLU   4           HB3      GLU   4  -3.276  -5.145  -5.744
   26    HG2  GLU   4           HG2      GLU   4  -5.097  -5.837  -4.251
   27    HG3  GLU   4           HG3      GLU   4  -6.152  -5.995  -5.660
   28    H    GLU   5           H        GLU   5  -3.323  -1.799  -4.814
   29    HA   GLU   5           HA       GLU   5  -2.223  -0.889  -7.380
   30    HB2  GLU   5           HB2      GLU   5  -2.947   0.521  -4.856
   31    HB3  GLU   5           HB3      GLU   5  -1.835   1.246  -5.998
   32    HG2  GLU   5           HG2      GLU   5  -4.635   0.344  -6.655
   33    HG3  GLU   5           HG3      GLU   5  -4.201   1.995  -6.210
   34    HA   PRO   6           HA       PRO   6   1.574  -2.186  -5.251
   35    HB2  PRO   6           HB2      PRO   6   2.833  -2.165  -7.836
   36    HB3  PRO   6           HB3      PRO   6   2.494  -3.551  -6.799
   37    HG2  PRO   6           HG2      PRO   6   1.240  -3.105  -9.203
   38    HG3  PRO   6           HG3      PRO   6   0.532  -4.041  -7.877
   39    HD2  PRO   6           HD2      PRO   6   0.014  -1.211  -8.694
   40    HD3  PRO   6           HD3      PRO   6  -1.118  -2.448  -8.099
   41    H    ILE   7           H        ILE   7   2.337  -0.445  -4.326
   42    HA   ILE   7           HA       ILE   7   3.171   1.864  -5.962
   43    HB   ILE   7           HB       ILE   7   3.037   3.260  -3.963
   44   HG12  ILE   7          HG12      ILE   7   2.246   0.833  -2.372
   45   HG13  ILE   7          HG13      ILE   7   3.935   1.320  -2.486
   46   HG21  ILE   7          HG21      ILE   7   0.683   1.489  -4.194
   47   HG22  ILE   7          HG22      ILE   7   1.016   2.994  -5.075
   48   HG23  ILE   7          HG23      ILE   7   0.809   3.005  -3.310
   49   HD11  ILE   7          HD11      ILE   7   1.674   2.977  -1.438
   50   HD12  ILE   7          HD12      ILE   7   3.365   3.477  -1.594
   51   HD13  ILE   7          HD13      ILE   7   2.932   2.166  -0.482
   52    H    ARG   8           H        ARG   8   5.093   2.962  -5.259
   53    HA   ARG   8           HA       ARG   8   7.282   1.128  -4.734
   54    HB2  ARG   8           HB2      ARG   8   7.222   4.112  -5.180
   55    HB3  ARG   8           HB3      ARG   8   8.659   3.105  -5.139
   56    HG2  ARG   8           HG2      ARG   8   8.058   2.036  -7.172
   57    HG3  ARG   8           HG3      ARG   8   6.461   2.783  -7.166
   58    HD2  ARG   8           HD2      ARG   8   9.085   4.252  -7.350
   59    HD3  ARG   8           HD3      ARG   8   7.987   3.940  -8.695
   60    HE   ARG   8           HE       ARG   8   6.315   5.192  -7.280
   61   HH11  ARG   8          HH11      ARG   8   9.789   5.972  -7.285
   62   HH12  ARG   8          HH12      ARG   8   9.558   7.612  -6.911
   63   HH21  ARG   8          HH21      ARG   8   6.040   7.461  -6.716
   64   HH22  ARG   8          HH22      ARG   8   7.412   8.464  -6.566
   65    H    HIS   9           H        HIS   9   8.401   1.102  -2.780
   66    HA   HIS   9           HA       HIS   9   7.916   3.229  -0.871
   67    HB2  HIS   9           HB2      HIS   9   6.279   1.381  -0.383
   68    HB3  HIS   9           HB3      HIS   9   7.645   0.292  -0.170
   69    HD1  HIS   9           HD3      HIS   9   8.903   0.443   2.060
   70    HD2  HIS   9           HD2      HIS   9   5.922   3.258   1.631
   71    HE1  HIS   9           HE1      HIS   9   8.578   1.468   4.350
   72    H    ALA  10           H        ALA  10   9.777   3.693   0.233
   73    HA   ALA  10           HA       ALA  10  12.092   2.224  -0.642
   74    HB1  ALA  10           HB1      ALA  10  12.149   4.668  -0.717
   75    HB2  ALA  10           HB2      ALA  10  13.415   4.010   0.320
   76    HB3  ALA  10           HB3      ALA  10  11.970   4.724   1.037
   77    H    LYS  11           H        LYS  11  11.495   0.345   0.443
   78    HA   LYS  11           HA       LYS  11  13.074  -0.241   2.671
   79    HB2  LYS  11           HB2      LYS  11  11.073   0.827   3.858
   80    HB3  LYS  11           HB3      LYS  11  10.064  -0.380   3.098
   81    HG2  LYS  11           HG2      LYS  11  10.443  -1.073   5.334
   82    HG3  LYS  11           HG3      LYS  11  11.371  -2.138   4.284
   83    HD2  LYS  11           HD2      LYS  11  12.687  -1.517   6.235
   84    HD3  LYS  11           HD3      LYS  11  13.406  -0.818   4.785
   85    HE2  LYS  11           HE2      LYS  11  12.437   1.344   5.307
   86    HE3  LYS  11           HE3      LYS  11  11.554   0.637   6.662
   87    HZ1  LYS  11           HZ1      LYS  11  14.506   0.818   6.462
   88    HZ2  LYS  11           HZ2      LYS  11  13.601   0.237   7.781
   89    HZ3  LYS  11           HZ3      LYS  11  13.503   1.842   7.344
   90    H    LYS  12           H        LYS  12  13.365  -2.512   2.502
   91    HA   LYS  12           HA       LYS  12  12.466  -3.551   0.027
   92    HB2  LYS  12           HB2      LYS  12  14.660  -4.122   1.039
   93    HB3  LYS  12           HB3      LYS  12  13.821  -5.042   2.281
   94    HG2  LYS  12           HG2      LYS  12  12.891  -6.511   0.565
   95    HG3  LYS  12           HG3      LYS  12  13.751  -5.595  -0.668
   96    HD2  LYS  12           HD2      LYS  12  14.997  -7.189   1.574
   97    HD3  LYS  12           HD3      LYS  12  14.937  -7.638  -0.125
   98    HE2  LYS  12           HE2      LYS  12  16.228  -5.564  -0.642
   99    HE3  LYS  12           HE3      LYS  12  16.417  -5.323   1.092
  100    HZ1  LYS  12           HZ1      LYS  12  17.349  -7.656  -0.452
  101    HZ2  LYS  12           HZ2      LYS  12  17.501  -7.483   1.217
  102    HZ3  LYS  12           HZ3      LYS  12  18.327  -6.433   0.178
  103    H    ASN  13           H        ASN  13  11.732  -4.345   3.369
  104    HA   ASN  13           HA       ASN  13   9.194  -5.460   2.443
  105    HB2  ASN  13           HB2      ASN  13  10.944  -6.775   4.549
  106    HB3  ASN  13           HB3      ASN  13   9.307  -7.260   4.146
  107   HD21  ASN  13          HD21      ASN  13   8.929  -8.362   2.209
  108   HD22  ASN  13          HD22      ASN  13  10.204  -9.060   1.299
  109    HA   PRO  14           HA       PRO  14   8.299  -2.593   5.823
  110    HB2  PRO  14           HB2      PRO  14   6.078  -1.593   4.293
  111    HB3  PRO  14           HB3      PRO  14   7.618  -0.799   4.592
  112    HG2  PRO  14           HG2      PRO  14   6.739  -1.722   2.127
  113    HG3  PRO  14           HG3      PRO  14   8.410  -1.325   2.532
  114    HD2  PRO  14           HD2      PRO  14   7.042  -3.955   2.433
  115    HD3  PRO  14           HD3      PRO  14   8.711  -3.525   1.966
  116    H    SER  15           H        SER  15   6.449  -2.673   7.270
  117    HA   SER  15           HA       SER  15   5.117  -5.183   7.195
  118    HB2  SER  15           HB2      SER  15   4.126  -4.377   9.307
  119    HB3  SER  15           HB3      SER  15   5.882  -4.195   9.291
  120    HG   SER  15           HG       SER  15   4.357  -2.355   9.949
  121    H    GLU  16           H        GLU  16   2.675  -5.133   7.687
  122    HA   GLU  16           HA       GLU  16   1.277  -4.042   5.534
  123    HB2  GLU  16           HB2      GLU  16   0.303  -5.077   8.201
  124    HB3  GLU  16           HB3      GLU  16  -0.747  -4.733   6.829
  125    HG2  GLU  16           HG2      GLU  16   0.234  -6.441   5.523
  126    HG3  GLU  16           HG3      GLU  16   1.557  -6.650   6.661
  127    H    GLY  17           H        GLY  17   1.865  -2.873   8.781
  128    HA2  GLY  17           HA2      GLY  17   0.132  -0.634   8.692
  129    HA3  GLY  17           HA3      GLY  17   1.493  -0.851   9.786
  130    H    GLU  18           H        GLU  18   3.645  -0.985   8.104
  131    HA   GLU  18           HA       GLU  18   4.194   1.677   7.440
  132    HB2  GLU  18           HB2      GLU  18   5.494  -0.902   6.603
  133    HB3  GLU  18           HB3      GLU  18   6.081   0.645   6.016
  134    HG2  GLU  18           HG2      GLU  18   5.831  -0.049   8.924
  135    HG3  GLU  18           HG3      GLU  18   7.294  -0.291   7.971
  136    H    CYS  19           H        CYS  19   3.350  -1.036   5.329
  137    HA   CYS  19           HA       CYS  19   3.317   0.457   2.988
  138    HB2  CYS  19           HB2      CYS  19   1.925  -2.101   3.733
  139    HB3  CYS  19           HB3      CYS  19   1.818  -1.404   2.125
  140    H    LYS  20           H        LYS  20   0.637  -0.294   5.246
  141    HA   LYS  20           HA       LYS  20  -1.371   0.889   3.697
  142    HB2  LYS  20           HB2      LYS  20  -1.758  -0.639   5.606
  143    HB3  LYS  20           HB3      LYS  20  -1.250   0.627   6.704
  144    HG2  LYS  20           HG2      LYS  20  -3.184   1.948   6.167
  145    HG3  LYS  20           HG3      LYS  20  -3.644   0.825   4.880
  146    HD2  LYS  20           HD2      LYS  20  -3.845  -0.972   6.583
  147    HD3  LYS  20           HD3      LYS  20  -3.486   0.211   7.824
  148    HE2  LYS  20           HE2      LYS  20  -5.822   0.458   5.940
  149    HE3  LYS  20           HE3      LYS  20  -5.910  -0.348   7.503
  150    HZ1  LYS  20           HZ1      LYS  20  -5.190   1.781   8.512
  151    HZ2  LYS  20           HZ2      LYS  20  -6.675   1.864   7.747
  152    HZ3  LYS  20           HZ3      LYS  20  -5.348   2.540   7.001
  153    H    LYS  21           H        LYS  21   0.760   2.247   6.128
  154    HA   LYS  21           HA       LYS  21  -0.392   4.830   6.160
  155    HB2  LYS  21           HB2      LYS  21   0.989   4.089   8.004
  156    HB3  LYS  21           HB3      LYS  21   2.350   3.836   6.928
  157    HG2  LYS  21           HG2      LYS  21   2.632   6.191   6.630
  158    HG3  LYS  21           HG3      LYS  21   1.134   6.531   7.489
  159    HD2  LYS  21           HD2      LYS  21   3.181   6.915   8.867
  160    HD3  LYS  21           HD3      LYS  21   2.063   5.749   9.566
  161    HE2  LYS  21           HE2      LYS  21   4.348   4.974   9.809
  162    HE3  LYS  21           HE3      LYS  21   3.473   3.914   8.718
  163    HZ1  LYS  21           HZ1      LYS  21   5.606   4.301   7.854
  164    HZ2  LYS  21           HZ2      LYS  21   5.502   5.962   8.011
  165    HZ3  LYS  21           HZ3      LYS  21   4.597   5.182   6.838
  166    H    ALA  22           H        ALA  22   2.175   3.367   4.235
  167    HA   ALA  22           HA       ALA  22   2.944   5.759   2.912
  168    HB1  ALA  22           HB1      ALA  22   3.221   2.901   2.008
  169    HB2  ALA  22           HB2      ALA  22   4.381   3.792   2.996
  170    HB3  ALA  22           HB3      ALA  22   4.065   4.292   1.330
  171    H    CYS  23           H        CYS  23   0.790   3.091   2.057
  172    HA   CYS  23           HA       CYS  23  -0.075   4.041  -0.425
  173    HB2  CYS  23           HB2      CYS  23  -1.632   2.440   1.605
  174    HB3  CYS  23           HB3      CYS  23  -2.030   2.601  -0.102
  175    H    ALA  24           H        ALA  24  -1.107   4.771   2.834
  176    HA   ALA  24           HA       ALA  24  -3.371   6.292   2.249
  177    HB1  ALA  24           HB1      ALA  24  -2.728   5.509   4.486
  178    HB2  ALA  24           HB2      ALA  24  -3.044   7.249   4.445
  179    HB3  ALA  24           HB3      ALA  24  -1.384   6.648   4.481
  180    H    ASP  25           H        ASP  25  -0.059   7.279   2.930
  181    HA   ASP  25           HA       ASP  25  -0.385  10.009   2.446
  182    HB2  ASP  25           HB2      ASP  25   1.480   9.043   3.720
  183    HB3  ASP  25           HB3      ASP  25   2.116   8.332   2.247
  184    H    ALA  26           H        ALA  26   0.425   7.397   0.248
  185    HA   ALA  26           HA       ALA  26   0.985   9.224  -1.921
  186    HB1  ALA  26           HB1      ALA  26   2.307   7.176  -1.650
  187    HB2  ALA  26           HB2      ALA  26   1.510   7.252  -3.221
  188    HB3  ALA  26           HB3      ALA  26   0.859   6.215  -1.951
  189    H    PHE  27           H        PHE  27  -1.874   7.998  -0.651
  190    HA   PHE  27           HA       PHE  27  -3.112   8.309  -3.294
  191    HB2  PHE  27           HB2      PHE  27  -3.687   6.207  -1.266
  192    HB3  PHE  27           HB3      PHE  27  -4.971   6.739  -2.353
  193    HD1  PHE  27           HD1      PHE  27  -4.851   6.353  -4.699
  194    HD2  PHE  27           HD2      PHE  27  -1.730   4.995  -2.136
  195    HE1  PHE  27           HE1      PHE  27  -3.998   4.962  -6.484
  196    HE2  PHE  27           HE2      PHE  27  -0.877   3.584  -3.939
  197    HZ   PHE  27           HZ       PHE  27  -2.008   3.554  -6.121
  198    H    ALA  28           H        ALA  28  -3.832   8.500   0.162
  199    HA   ALA  28           HA       ALA  28  -5.909  10.454  -0.498
  200    HB1  ALA  28           HB1      ALA  28  -6.609   8.554   0.898
  201    HB2  ALA  28           HB2      ALA  28  -6.752  10.090   1.743
  202    HB3  ALA  28           HB3      ALA  28  -5.404   9.011   2.103
  203    H    ASN  29           H        ASN  29  -2.767  10.317   0.204
  204    HA   ASN  29           HA       ASN  29  -1.177  11.810   0.740
  205    HB2  ASN  29           HB2      ASN  29  -3.458  13.796   0.622
  206    HB3  ASN  29           HB3      ASN  29  -1.762  14.248   0.767
  207   HD21  ASN  29          HD21      ASN  29  -0.437  14.067  -1.035
  208   HD22  ASN  29          HD22      ASN  29  -1.060  13.760  -2.614
  209    H    GLY  30           H        GLY  30  -2.980  10.534   2.836
  210    HA2  GLY  30           HA2      GLY  30  -1.596  11.133   5.085
  211    HA3  GLY  30           HA3      GLY  30  -2.852  12.363   5.043
  212    H    ASP  31           H        ASP  31  -4.991  11.022   4.109
  213    HA   ASP  31           HA       ASP  31  -5.873   9.700   6.458
  214    HB2  ASP  31           HB2      ASP  31  -7.473  10.916   5.053
  215    HB3  ASP  31           HB3      ASP  31  -7.214   9.768   3.745
  216    H    GLN  32           H        GLN  32  -5.801   7.687   7.055
  217    HA   GLN  32           HA       GLN  32  -4.543   5.764   5.262
  218    HB2  GLN  32           HB2      GLN  32  -5.039   5.594   8.230
  219    HB3  GLN  32           HB3      GLN  32  -4.033   4.518   7.273
  220    HG2  GLN  32           HG2      GLN  32  -2.503   6.362   6.804
  221    HG3  GLN  32           HG3      GLN  32  -3.523   7.451   7.738
  222   HE21  GLN  32          HE21      GLN  32  -0.775   6.778   8.124
  223   HE22  GLN  32          HE22      GLN  32  -0.628   6.112   9.713
  224    H    SER  33           H        SER  33  -7.647   6.566   5.919
  225    HA   SER  33           HA       SER  33  -8.583   3.884   6.501
  226    HB2  SER  33           HB2      SER  33 -10.053   6.513   6.381
  227    HB3  SER  33           HB3      SER  33 -10.712   4.979   6.968
  228    HG   SER  33           HG       SER  33  -8.413   5.388   8.162
  229    H    LYS  34           H        LYS  34  -8.375   6.147   3.904
  230    HA   LYS  34           HA       LYS  34 -10.274   5.093   2.097
  231    HB2  LYS  34           HB2      LYS  34  -9.016   7.221   1.766
  232    HB3  LYS  34           HB3      LYS  34  -7.549   6.297   1.508
  233    HG2  LYS  34           HG2      LYS  34  -8.598   5.287  -0.512
  234    HG3  LYS  34           HG3      LYS  34  -9.988   6.348  -0.267
  235    HD2  LYS  34           HD2      LYS  34  -8.525   8.311  -0.473
  236    HD3  LYS  34           HD3      LYS  34  -7.138   7.249  -0.705
  237    HE2  LYS  34           HE2      LYS  34  -7.871   8.086  -2.845
  238    HE3  LYS  34           HE3      LYS  34  -8.198   6.360  -2.750
  239    HZ1  LYS  34           HZ1      LYS  34 -10.037   7.565  -3.713
  240    HZ2  LYS  34           HZ2      LYS  34 -10.192   8.534  -2.372
  241    HZ3  LYS  34           HZ3      LYS  34 -10.527   6.878  -2.265
  242    H    ILE  35           H        ILE  35  -7.401   3.851   3.322
  243    HA   ILE  35           HA       ILE  35  -7.035   1.853   1.216
  244    HB   ILE  35           HB       ILE  35  -5.286   2.407   3.632
  245   HG12  ILE  35          HG12      ILE  35  -5.347   4.447   2.295
  246   HG13  ILE  35          HG13      ILE  35  -3.779   3.670   2.132
  247   HG21  ILE  35          HG21      ILE  35  -4.959   0.213   2.644
  248   HG22  ILE  35          HG22      ILE  35  -3.551   1.235   2.356
  249   HG23  ILE  35          HG23      ILE  35  -4.710   0.946   1.058
  250   HD11  ILE  35          HD11      ILE  35  -6.022   3.588   0.125
  251   HD12  ILE  35          HD12      ILE  35  -4.459   2.790  -0.049
  252   HD13  ILE  35          HD13      ILE  35  -4.549   4.551   0.009
  253    H    ALA  36           H        ALA  36  -7.766  -0.177   1.633
  254    HA   ALA  36           HA       ALA  36  -9.157  -0.803   4.034
  255    HB1  ALA  36           HB1      ALA  36  -9.320  -3.075   3.082
  256    HB2  ALA  36           HB2      ALA  36  -8.159  -2.628   1.834
  257    HB3  ALA  36           HB3      ALA  36  -9.740  -1.851   1.884
  258    H    LYS  37           H        LYS  37  -6.130  -1.888   2.600
  259    HA   LYS  37           HA       LYS  37  -4.634  -1.767   4.937
  260    HB2  LYS  37           HB2      LYS  37  -6.020  -3.946   5.309
  261    HB3  LYS  37           HB3      LYS  37  -5.134  -4.590   3.933
  262    HG2  LYS  37           HG2      LYS  37  -3.016  -4.235   5.159
  263    HG3  LYS  37           HG3      LYS  37  -3.938  -3.659   6.547
  264    HD2  LYS  37           HD2      LYS  37  -3.280  -5.951   6.875
  265    HD3  LYS  37           HD3      LYS  37  -5.030  -5.880   6.657
  266    HE2  LYS  37           HE2      LYS  37  -4.855  -6.674   4.413
  267    HE3  LYS  37           HE3      LYS  37  -3.100  -6.491   4.423
  268    HZ1  LYS  37           HZ1      LYS  37  -2.999  -8.205   6.124
  269    HZ2  LYS  37           HZ2      LYS  37  -3.694  -8.769   4.682
  270    HZ3  LYS  37           HZ3      LYS  37  -4.685  -8.438   6.008
  271    H    ALA  38           H        ALA  38  -2.395  -2.810   4.276
  272    HA   ALA  38           HA       ALA  38  -2.157  -3.171   1.430
  273    HB1  ALA  38           HB1      ALA  38  -0.533  -1.175   2.993
  274    HB2  ALA  38           HB2      ALA  38  -1.760  -0.787   1.789
  275    HB3  ALA  38           HB3      ALA  38  -0.283  -1.621   1.305
  276    H    GLU  39           H        GLU  39  -0.549  -4.566   0.966
  277    HA   GLU  39           HA       GLU  39   0.938  -5.660   3.275
  278    HB2  GLU  39           HB2      GLU  39  -0.057  -7.236   0.887
  279    HB3  GLU  39           HB3      GLU  39   0.697  -7.878   2.339
  280    HG2  GLU  39           HG2      GLU  39  -1.243  -7.106   3.643
  281    HG3  GLU  39           HG3      GLU  39  -2.010  -6.573   2.149
  282    H    ASN  40           H        ASN  40   2.949  -6.897   2.435
  283    HA   ASN  40           HA       ASN  40   4.349  -5.203   0.643
  284    HB2  ASN  40           HB2      ASN  40   5.628  -6.366   2.357
  285    HB3  ASN  40           HB3      ASN  40   5.089  -7.927   1.744
  286   HD21  ASN  40          HD21      ASN  40   7.096  -5.156   1.067
  287   HD22  ASN  40          HD22      ASN  40   8.089  -5.930  -0.111
  288    H    PHE  41           H        PHE  41   4.484  -5.261  -1.446
  289    HA   PHE  41           HA       PHE  41   2.995  -7.313  -2.878
  290    HB2  PHE  41           HB2      PHE  41   2.604  -4.939  -3.451
  291    HB3  PHE  41           HB3      PHE  41   4.305  -4.756  -3.821
  292    HD1  PHE  41           HD1      PHE  41   1.249  -6.587  -4.881
  293    HD2  PHE  41           HD2      PHE  41   5.115  -5.166  -5.974
  294    HE1  PHE  41           HE1      PHE  41   0.823  -7.197  -7.210
  295    HE2  PHE  41           HE2      PHE  41   4.684  -5.784  -8.300
  296    HZ   PHE  41           HZ       PHE  41   2.525  -6.805  -8.920
  297    H    LYS  42           H        LYS  42   6.193  -5.837  -2.747
  298    HA   LYS  42           HA       LYS  42   7.490  -8.201  -3.677
  299    HB2  LYS  42           HB2      LYS  42   6.538  -7.073  -5.756
  300    HB3  LYS  42           HB3      LYS  42   7.500  -5.671  -5.368
  301    HG2  LYS  42           HG2      LYS  42   9.543  -7.007  -5.682
  302    HG3  LYS  42           HG3      LYS  42   8.528  -8.397  -6.095
  303    HD2  LYS  42           HD2      LYS  42   7.522  -7.065  -7.919
  304    HD3  LYS  42           HD3      LYS  42   8.661  -5.774  -7.561
  305    HE2  LYS  42           HE2      LYS  42  10.529  -7.239  -8.093
  306    HE3  LYS  42           HE3      LYS  42   9.419  -8.577  -8.377
  307    HZ1  LYS  42           HZ1      LYS  42   8.467  -7.334 -10.243
  308    HZ2  LYS  42           HZ2      LYS  42  10.123  -7.534 -10.440
  309    HZ3  LYS  42           HZ3      LYS  42   9.531  -6.058  -9.956
  310    H    ASP  43           H        ASP  43   9.892  -7.563  -3.730
  311    HA   ASP  43           HA       ASP  43  10.707  -6.163  -1.472
  312    HB2  ASP  43           HB2      ASP  43  12.179  -6.745  -4.058
  313    HB3  ASP  43           HB3      ASP  43  12.953  -6.089  -2.628
  314    H    TYR  44           H        TYR  44  10.441  -4.094  -1.069
  315    HA   TYR  44           HA       TYR  44  10.508  -1.849  -1.174
  316    HB2  TYR  44           HB2      TYR  44  11.720  -2.244  -3.922
  317    HB3  TYR  44           HB3      TYR  44  11.418  -0.659  -3.228
  318    HD1  TYR  44           HD1      TYR  44  12.772   0.179  -1.426
  319    HD2  TYR  44           HD2      TYR  44  13.502  -3.677  -3.050
  320    HE1  TYR  44           HE1      TYR  44  14.954   0.136  -0.309
  321    HE2  TYR  44           HE2      TYR  44  15.691  -3.740  -1.937
  322    HH   TYR  44           HH       TYR  44  16.582  -1.475   0.463
  323    H    TYR  45           H        TYR  45   8.256  -3.582  -2.269
  324    HA   TYR  45           HA       TYR  45   6.709  -1.319  -3.311
  325    HB2  TYR  45           HB2      TYR  45   6.704  -4.095  -4.487
  326    HB3  TYR  45           HB3      TYR  45   5.550  -2.835  -4.887
  327    HD1  TYR  45           HD1      TYR  45   8.866  -4.143  -5.491
  328    HD2  TYR  45           HD2      TYR  45   6.319  -0.807  -6.028
  329    HE1  TYR  45           HE1      TYR  45  10.371  -3.315  -7.219
  330    HE2  TYR  45           HE2      TYR  45   7.825   0.053  -7.796
  331    HH   TYR  45           HH       TYR  45  10.297  -0.219  -8.349
  332    H    CYS  46           H        CYS  46   4.648  -1.292  -2.803
  333    HA   CYS  46           HA       CYS  46   3.729  -3.352  -0.906
  334    HB2  CYS  46           HB2      CYS  46   3.277  -0.370  -0.723
  335    HB3  CYS  46           HB3      CYS  46   2.430  -1.559   0.257
  336    H    ASN  47           H        ASN  47   1.685  -4.059  -1.108
  337    HA   ASN  47           HA       ASN  47   0.256  -3.264  -3.551
  338    HB2  ASN  47           HB2      ASN  47   0.785  -5.732  -3.049
  339    HB3  ASN  47           HB3      ASN  47  -0.310  -5.579  -1.683
  340   HD21  ASN  47          HD21      ASN  47  -1.820  -6.991  -2.405
  341   HD22  ASN  47          HD22      ASN  47  -2.812  -6.740  -3.778
  342    H    CYS  48           H        CYS  48  -0.948  -1.608  -3.062
  343    HA   CYS  48           HA       CYS  48  -2.138  -1.325  -0.456
  344    HB2  CYS  48           HB2      CYS  48  -2.460   0.421  -2.888
  345    HB3  CYS  48           HB3      CYS  48  -2.753   0.802  -1.186
  346    H    HIS  49           H        HIS  49  -4.248  -1.673  -0.038
  347    HA   HIS  49           HA       HIS  49  -5.861  -2.667  -2.243
  348    HB2  HIS  49           HB2      HIS  49  -6.067  -3.126   0.755
  349    HB3  HIS  49           HB3      HIS  49  -7.271  -3.665  -0.406
  350    HD1  HIS  49           HD3      HIS  49  -7.024  -6.087  -0.890
  351    HD2  HIS  49           HD2      HIS  49  -3.376  -4.256  -0.094
  352    HE1  HIS  49           HE1      HIS  49  -5.267  -7.901  -1.085
  353    H    ILE  50           H        ILE  50  -6.658  -0.870  -3.010
  354    HA   ILE  50           HA       ILE  50  -7.498   1.244  -1.224
  355    HB   ILE  50           HB       ILE  50  -8.109   1.264  -4.164
  356   HG12  ILE  50          HG12      ILE  50  -5.722   0.532  -4.031
  357   HG13  ILE  50          HG13      ILE  50  -5.897   2.133  -4.723
  358   HG21  ILE  50          HG21      ILE  50  -7.674   3.670  -3.847
  359   HG22  ILE  50          HG22      ILE  50  -7.216   3.305  -2.176
  360   HG23  ILE  50          HG23      ILE  50  -8.882   3.049  -2.700
  361   HD11  ILE  50          HD11      ILE  50  -5.031   1.479  -1.923
  362   HD12  ILE  50          HD12      ILE  50  -5.219   3.107  -2.582
  363   HD13  ILE  50          HD13      ILE  50  -3.998   2.018  -3.250
  364    H    ILE  51           H        ILE  51  -9.584   1.516  -0.598
  365    HA   ILE  51           HA       ILE  51 -11.481  -0.491  -1.208
  366    HB   ILE  51           HB       ILE  51 -11.960   2.255   0.018
  367   HG12  ILE  51          HG12      ILE  51 -11.451  -0.405   1.380
  368   HG13  ILE  51          HG13      ILE  51 -10.288   0.910   1.269
  369   HG21  ILE  51          HG21      ILE  51 -13.976   1.207   0.977
  370   HG22  ILE  51          HG22      ILE  51 -13.620  -0.277   0.091
  371   HG23  ILE  51          HG23      ILE  51 -14.016   1.201  -0.786
  372   HD11  ILE  51          HD11      ILE  51 -11.768   2.318   2.612
  373   HD12  ILE  51          HD12      ILE  51 -11.338   0.831   3.457
  374   HD13  ILE  51          HD13      ILE  51 -12.929   0.994   2.715
  375    H    ILE  52           H        ILE  52 -12.839  -0.603  -2.869
  376    HA   ILE  52           HA       ILE  52 -12.514   1.152  -5.072
  377    HB   ILE  52           HB       ILE  52 -14.605  -1.018  -4.653
  378   HG12  ILE  52          HG12      ILE  52 -11.907  -1.147  -6.026
  379   HG13  ILE  52          HG13      ILE  52 -12.297  -1.854  -4.464
  380   HG21  ILE  52          HG21      ILE  52 -15.204   0.548  -6.448
  381   HG22  ILE  52          HG22      ILE  52 -14.803  -1.046  -7.088
  382   HG23  ILE  52          HG23      ILE  52 -13.636   0.270  -7.212
  383   HD11  ILE  52          HD11      ILE  52 -12.267  -3.530  -6.222
  384   HD12  ILE  52          HD12      ILE  52 -13.504  -2.639  -7.112
  385   HD13  ILE  52          HD13      ILE  52 -13.887  -3.360  -5.547
  386    H    HIS  53           H        HIS  53 -14.921   0.723  -2.607
  387    HA   HIS  53           HA       HIS  53 -16.636   2.734  -3.786
  388    HB2  HIS  53           HB2      HIS  53 -17.021   0.963  -1.361
  389    HB3  HIS  53           HB3      HIS  53 -18.199   2.143  -1.923
  390    HD1  HIS  53           HD3      HIS  53 -17.449  -1.369  -2.198
  391    HD2  HIS  53           HD2      HIS  53 -18.957   1.563  -4.713
  392    HE1  HIS  53           HE1      HIS  53 -18.610  -2.596  -4.060