*HEADER    ANTIFUNGAL PROTEIN                      03-FEB-20   6VPN              
*TITLE     SOLUTION STRUCTURE OF ANTIFUNGAL PLANT DEFENSIN PVD1                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KNOT1 DOMAIN-CONTAINING PROTEIN;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 29-75                                         
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PHASEOLUS VULGARIS;                             
*SOURCE   3 ORGANISM_COMMON: KIDNEY BEAN;                                        
*SOURCE   4 ORGANISM_TAXID: 3885                                                 
*KEYWDS    ANTIFUNGAL PLANT DEFENSIN, ANTIFUNGAL PROTEIN                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.J.HARVEY                                                            
*REVDAT   1   26-AUG-20 6VPN    0                                                
# Restraints file 1: pvd1restraintspdb
!distance restraints
assign (resid  12 and name   HN)   (resid  13 and name  HD2)   3.650    1.850    1.850  
assign (resid  12 and name   HN)   (resid  13 and name  HD1)   3.650    1.850    1.850  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.360    0.560    0.560  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   3.235    1.435    1.435  
assign (resid  11 and name   HN)   (resid  11 and name  HG1)   3.270    1.470    1.470  
assign (resid  11 and name   HN)   (resid  11 and name  HG2)   3.270    1.470    1.470  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.365    0.565    0.565  
assign (resid   7 and name  HB#)   (resid  10 and name   HN)   2.745    0.945    0.945  
assign (resid  23 and name   HN)   (resid  23 and name  HB1)   2.580    0.780    0.780  
assign (resid  33 and name  HA1)   (resid  34 and name   HN)   2.635    0.835    0.835  
assign (resid  33 and name  HA2)   (resid  34 and name   HN)   2.635    0.835    0.835  
assign (resid  33 and name   HN)   (resid  34 and name   HN)   3.400    1.600    1.600  
assign (resid  32 and name   HA)   (resid  33 and name   HN)   2.500    0.700    0.700  
assign (resid  32 and name   HN)   (resid  33 and name   HN)   3.415    1.615    1.615  
assign (resid  23 and name  HB2)   (resid  24 and name   HN)   2.940    1.140    1.140  
assign (resid  23 and name  HB1)   (resid  24 and name   HN)   2.940    1.140    1.140  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   2.710    0.910    0.910  
assign (resid  24 and name   HN)   (resid  24 and name  HB2)   2.765    0.965    0.965  
assign (resid  24 and name   HN)   (resid  24 and name  HB1)   2.765    0.965    0.965  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   2.365    0.565    0.565  
assign (resid   2 and name   HA)   (resid  47 and name   HN)   2.750    0.950    0.950  
assign (resid  44 and name   HA)   (resid  45 and name   HN)   2.340    0.540    0.540  
assign (resid   3 and name   HN)   (resid  45 and name   HN)   2.905    1.105    1.105  
assign (resid  43 and name   HA)   (resid  44 and name   HN)   2.440    0.640    0.640  
assign (resid  43 and name  HB1)   (resid  44 and name   HN)   2.730    0.930    0.930  
assign (resid  43 and name  HB2)   (resid  44 and name   HN)   2.985    1.185    1.185  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.800    1.000    1.000  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   2.545    0.745    0.745  
assign (resid  29 and name  HB2)   (resid  30 and name   HN)   3.650    1.850    1.850  
assign (resid  29 and name  HB1)   (resid  30 and name   HN)   3.650    1.850    1.850  
assign (resid  29 and name   HN)   (resid  30 and name   HN)   2.665    0.865    0.865  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   2.490    0.690    0.690  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   2.565    0.765    0.765  
assign (resid  26 and name  HB2)   (resid  27 and name   HN)   3.050    1.250    1.250  
assign (resid  26 and name  HB1)   (resid  27 and name   HN)   3.050    1.250    1.250  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.700    0.900    0.900  
assign (resid   1 and name  HG2)   (resid   2 and name   HN)   3.110    1.310    1.310  
assign (resid   1 and name  HG1)   (resid   2 and name   HN)   3.110    1.310    1.310  
assign (resid   1 and name  HB2)   (resid   2 and name   HN)   3.505    1.705    1.705  
assign (resid   1 and name  HB1)   (resid   2 and name   HN)   3.505    1.705    1.705  
assign (resid   2 and name   HA)   (resid   2 and name HG2#)   2.510    0.710    0.710  
assign (resid   2 and name   HN)   (resid   2 and name HG2#)   2.765    0.965    0.965  
assign (resid   2 and name   HN)   (resid   2 and name   HB)   2.925    1.125    1.125  
assign (resid   2 and name HG2#)   (resid  47 and name   HN)   2.905    1.105    1.105  
assign (resid  47 and name   HN)   (resid  47 and name  HB1)   2.865    1.065    1.065  
assign (resid  47 and name   HN)   (resid  47 and name  HB2)   2.865    1.065    1.065  
assign (resid  36 and name   HA)   (resid  37 and name   HN)   2.620    0.820    0.820  
assign (resid  46 and name   HA)   (resid  47 and name   HN)   2.300    0.500    0.500  
assign (resid   3 and name   HN)   (resid  47 and name   HN)   3.325    1.525    1.525  
assign (resid   6 and name   HA)   (resid   7 and name   HA)   3.140    1.340    1.340  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.435    0.635    0.635  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   3.155    1.355    1.355  
assign (resid  26 and name   HN)   (resid  26 and name  HB1)   2.790    0.990    0.990  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.330    0.530    0.530  
assign (resid   7 and name   HN)   (resid  42 and name   HA)   2.660    0.860    0.860  
assign (resid   6 and name   HA)   (resid   6 and name HD1#)   2.855    1.055    1.055  
assign (resid   6 and name   HA)   (resid   6 and name   HG)   2.955    1.155    1.155  
assign (resid   6 and name   HA)   (resid   6 and name HD2#)   2.535    0.735    0.735  
assign (resid   6 and name  HB2)   (resid   6 and name HD2#)   2.645    0.845    0.845  
assign (resid   6 and name  HB2)   (resid   6 and name HD1#)   2.700    0.900    0.900  
assign (resid   6 and name  HB1)   (resid   6 and name HD1#)   2.610    0.810    0.810  
assign (resid   6 and name  HB1)   (resid   6 and name HD2#)   2.850    1.050    1.050  
assign (resid   6 and name HD1#)   (resid  40 and name  HB2)   3.510    1.710    1.710  
assign (resid   6 and name HD1#)   (resid  40 and name  HG2)   3.255    1.455    1.455  
assign (resid   6 and name HD1#)   (resid  40 and name  HG1)   3.255    1.455    1.455  
assign (resid   6 and name HD1#)   (resid  40 and name  HB1)   3.510    1.710    1.710  
assign (resid   6 and name HD1#)   (resid   7 and name  HB#)   3.650    1.850    1.850  
assign (resid   6 and name HD2#)   (resid  40 and name  HB2)   3.140    1.340    1.340  
assign (resid   6 and name HD2#)   (resid  40 and name  HG2)   2.935    1.135    1.135  
assign (resid   6 and name HD2#)   (resid  40 and name  HG1)   2.935    1.135    1.135  
assign (resid   6 and name HD2#)   (resid  40 and name  HB1)   3.140    1.340    1.340  
assign (resid   6 and name   HG)   (resid   7 and name   HN)   3.320    1.520    1.520  
assign (resid   6 and name   HN)   (resid   6 and name   HG)   2.615    0.815    0.815  
assign (resid   6 and name HD1#)   (resid   7 and name   HN)   3.315    1.515    1.515  
assign (resid   6 and name   HN)   (resid   6 and name HD1#)   2.955    1.155    1.155  
assign (resid   6 and name   HN)   (resid   6 and name  HB1)   2.695    0.895    0.895  
assign (resid   6 and name   HN)   (resid   6 and name  HB2)   2.670    0.870    0.870  
assign (resid  30 and name HD2#)   (resid  31 and name   HN)   2.880    1.080    1.080  
assign (resid  30 and name HD1#)   (resid  31 and name   HN)   3.175    1.375    1.375  
assign (resid  22 and name   HN)   (resid  22 and name  HB2)   2.505    0.705    0.705  
assign (resid  22 and name   HN)   (resid  22 and name  HB1)   2.685    0.885    0.885  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   3.330    1.530    1.530  
assign (resid   9 and name HG2#)   (resid  10 and name   HN)   3.325    1.525    1.525  
assign (resid  10 and name   HN)   (resid  10 and name  HB1)   2.640    0.840    0.840  
assign (resid  10 and name   HN)   (resid  10 and name  HB2)   2.640    0.840    0.840  
assign (resid   8 and name   HA)   (resid  10 and name   HN)   3.370    1.570    1.570  
assign (resid  10 and name   HN)   (resid  10 and name  HD#)   3.130    1.330    1.330  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   3.325    1.525    1.525  
assign (resid  10 and name  HD#)   (resid  11 and name   HN)   3.050    1.250    1.250  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.625    0.825    0.825  
assign (resid  10 and name  HD#)   (resid  23 and name  HE1)   3.325    1.525    1.525  
assign (resid  10 and name  HE#)   (resid  41 and name  HB1)   3.490    1.690    1.690  
assign (resid  10 and name  HD#)   (resid  41 and name  HB2)   2.880    1.080    1.080  
assign (resid  10 and name  HE#)   (resid  14 and name  HB2)   2.990    1.190    1.190  
assign (resid  10 and name  HD#)   (resid  14 and name  HB2)   3.515    1.715    1.715  
assign (resid  10 and name  HE#)   (resid  20 and name  HB1)   3.415    1.615    1.615  
assign (resid  10 and name  HE#)   (resid  14 and name  HB1)   3.470    1.670    1.670  
assign (resid  10 and name  HE#)   (resid  20 and name  HB2)   3.415    1.615    1.615  
assign (resid  10 and name  HD#)   (resid  23 and name  HB2)   2.735    0.935    0.935  
assign (resid  10 and name   HA)   (resid  10 and name  HD#)   2.670    0.870    0.870  
assign (resid  10 and name  HD#)   (resid  23 and name  HB1)   2.735    0.935    0.935  
assign (resid  10 and name  HE#)   (resid  23 and name  HB2)   2.930    1.130    1.130  
assign (resid  10 and name  HE#)   (resid  23 and name  HB1)   2.930    1.130    1.130  
assign (resid  25 and name   HA)   (resid  29 and name   HN)   3.220    1.420    1.420  
assign (resid  10 and name  HD#)   (resid  20 and name   HA)   2.870    1.070    1.070  
assign (resid  10 and name  HE#)   (resid  20 and name   HA)   2.650    0.850    0.850  
assign (resid   9 and name   HA)   (resid   9 and name HG2#)   2.495    0.695    0.695  
assign (resid  19 and name   HA)   (resid  22 and name  HB2)   2.840    1.040    1.040  
assign (resid   9 and name   HN)   (resid   9 and name HG2#)   2.675    0.875    0.875  
assign (resid   7 and name  HB#)   (resid   9 and name   HN)   2.855    1.055    1.055  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   3.200    1.400    1.400  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   3.200    1.400    1.400  
assign (resid  10 and name   HA)   (resid  23 and name  HE1)   2.940    1.140    1.140  
assign (resid   9 and name   HN)   (resid   9 and name   HB)   2.800    1.000    1.000  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   2.930    1.130    1.130  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.645    0.845    0.845  
assign (resid   7 and name  HB#)   (resid   8 and name   HN)   2.925    1.125    1.125  
assign (resid   4 and name  HG2)   (resid   5 and name   HN)   3.160    1.360    1.360  
assign (resid   4 and name  HG1)   (resid   5 and name   HN)   3.160    1.360    1.360  
assign (resid   5 and name   HN)   (resid  42 and name  HB1)   3.580    1.780    1.780  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.365    0.565    0.565  
assign (resid   5 and name   HN)   (resid  42 and name  HD1)   2.980    1.180    1.180  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   3.320    1.520    1.520  
assign (resid  11 and name   HN)   (resid  11 and name  HE2)   3.650    1.850    1.850  
assign (resid  11 and name   HN)   (resid  11 and name  HE1)   3.650    1.850    1.850  
assign (resid  11 and name   HN)   (resid  23 and name  HE1)   3.650    1.850    1.850  
assign (resid  29 and name   HN)   (resid  30 and name HD2#)   3.650    1.850    1.850  
assign (resid  29 and name   HN)   (resid  30 and name HD1#)   3.650    1.850    1.850  
assign (resid  29 and name   HN)   (resid  30 and name   HG)   3.345    1.545    1.545  
assign (resid  28 and name  HB1)   (resid  29 and name   HN)   3.220    1.420    1.420  
assign (resid  28 and name  HB2)   (resid  29 and name   HN)   3.220    1.420    1.420  
assign (resid  24 and name   HA)   (resid  29 and name   HN)   3.460    1.660    1.660  
assign (resid  29 and name   HN)   (resid  29 and name   HA)   2.360    0.560    0.560  
assign (resid  27 and name   HN)   (resid  29 and name   HN)   3.115    1.315    1.315  
assign (resid  29 and name   HA)   (resid  29 and name  HD2)   3.175    1.375    1.375  
assign (resid  39 and name   HN)   (resid  39 and name  HD#)   3.235    1.435    1.435  
assign (resid  28 and name   HA)   (resid  28 and name  HG1)   2.790    0.990    0.990  
assign (resid  24 and name   HA)   (resid  28 and name  HB1)   2.960    1.160    1.160  
assign (resid  24 and name   HA)   (resid  28 and name  HG1)   3.030    1.230    1.230  
assign (resid  24 and name   HA)   (resid  28 and name  HB2)   2.960    1.160    1.160  
assign (resid  27 and name  HB2)   (resid  28 and name   HN)   2.845    1.045    1.045  
assign (resid  27 and name  HB1)   (resid  28 and name   HN)   2.845    1.045    1.045  
assign (resid  28 and name   HN)   (resid  28 and name  HB1)   2.930    1.130    1.130  
assign (resid  28 and name   HN)   (resid  28 and name  HB2)   2.930    1.130    1.130  
assign (resid  24 and name   HA)   (resid  28 and name   HN)   3.035    1.235    1.235  
assign (resid  23 and name   HA)   (resid  28 and name   HN)   3.570    1.770    1.770  
assign (resid  26 and name   HA)   (resid  28 and name   HN)   3.595    1.795    1.795  
assign (resid  28 and name   HN)   (resid  29 and name   HA)   3.650    1.850    1.850  
assign (resid  27 and name   HA)   (resid  27 and name  HD2)   2.790    0.990    0.990  
assign (resid  27 and name   HA)   (resid  27 and name  HD1)   2.790    0.990    0.990  
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  27 and name   HN)   (resid  27 and name  HG2)   3.650    1.850    1.850  
assign (resid  27 and name   HN)   (resid  27 and name  HG1)   3.650    1.850    1.850  
assign (resid  23 and name   HA)   (resid  27 and name   HN)   2.900    1.100    1.100  
assign (resid  24 and name   HA)   (resid  27 and name   HN)   3.565    1.765    1.765  
assign (resid  26 and name   HN)   (resid  26 and name  HB2)   2.790    0.990    0.990  
assign (resid   6 and name HD2#)   (resid   7 and name   HN)   2.905    1.105    1.105  
assign (resid   6 and name   HN)   (resid   6 and name HD2#)   3.095    1.295    1.295  
assign (resid  30 and name  HB2)   (resid  30 and name HD1#)   2.720    0.920    0.920  
assign (resid  30 and name   HA)   (resid  30 and name   HG)   2.880    1.080    1.080  
assign (resid  30 and name   HA)   (resid  30 and name HD2#)   2.365    0.565    0.565  
assign (resid  30 and name   HN)   (resid  30 and name  HB1)   2.870    1.070    1.070  
assign (resid  30 and name   HN)   (resid  30 and name   HG)   2.655    0.855    0.855  
assign (resid  30 and name   HN)   (resid  30 and name  HB2)   2.870    1.070    1.070  
assign (resid  28 and name  HB1)   (resid  30 and name   HN)   3.180    1.380    1.380  
assign (resid  28 and name  HB2)   (resid  30 and name   HN)   3.180    1.380    1.380  
assign (resid  24 and name   HA)   (resid  30 and name   HN)   3.310    1.510    1.510  
assign (resid  25 and name   HA)   (resid  30 and name   HN)   2.615    0.815    0.815  
assign (resid  29 and name   HA)   (resid  30 and name   HN)   2.580    0.780    0.780  
assign (resid  31 and name   HA)   (resid  31 and name  HG2)   2.825    1.025    1.025  
assign (resid  31 and name   HA)   (resid  31 and name  HG1)   2.825    1.025    1.025  
assign (resid  30 and name  HB1)   (resid  31 and name   HN)   2.630    0.830    0.830  
assign (resid  30 and name  HB2)   (resid  31 and name   HN)   2.630    0.830    0.830  
assign (resid  31 and name   HN)   (resid  31 and name  HB2)   2.720    0.920    0.920  
assign (resid  31 and name   HN)   (resid  31 and name  HB1)   2.720    0.920    0.920  
assign (resid  31 and name  HG2)   (resid  31 and name   HE)   2.960    1.160    1.160  
assign (resid  31 and name   HE)   (resid  44 and name HG2#)   3.315    1.515    1.515  
assign (resid  31 and name  HG1)   (resid  31 and name   HE)   2.960    1.160    1.160  
assign (resid  31 and name   HN)   (resid  31 and name  HD2)   3.595    1.795    1.795  
assign (resid  30 and name   HA)   (resid  31 and name   HN)   2.655    0.855    0.855  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   3.310    1.510    1.510  
assign (resid  35 and name   HN)   (resid  42 and name   HN)   3.600    1.800    1.800  
assign (resid  31 and name   HN)   (resid  46 and name   HN)   3.650    1.850    1.850  
assign (resid  31 and name   HN)   (resid  44 and name   HN)   3.500    1.700    1.700  
assign (resid  31 and name   HN)   (resid  32 and name   HN)   2.640    0.840    0.840  
assign (resid  32 and name   HN)   (resid  44 and name HG2#)   3.135    1.335    1.335  
assign (resid  30 and name  HB1)   (resid  32 and name   HN)   3.125    1.325    1.325  
assign (resid  30 and name  HB2)   (resid  32 and name   HN)   3.125    1.325    1.325  
assign (resid  31 and name  HB2)   (resid  32 and name   HN)   2.915    1.115    1.115  
assign (resid  31 and name  HB1)   (resid  32 and name   HN)   2.915    1.115    1.115  
assign (resid  24 and name  HB2)   (resid  32 and name   HN)   3.650    1.850    1.850  
assign (resid  24 and name  HB1)   (resid  32 and name   HN)   3.650    1.850    1.850  
assign (resid  32 and name   HN)   (resid  44 and name   HB)   2.585    0.785    0.785  
assign (resid  32 and name   HN)   (resid  43 and name   HA)   3.450    1.650    1.650  
assign (resid  32 and name   HN)   (resid  44 and name   HN)   2.770    0.970    0.970  
assign (resid  21 and name  HB2)   (resid  33 and name   HN)   2.945    1.145    1.145  
assign (resid  21 and name  HB1)   (resid  33 and name   HN)   3.460    1.660    1.660  
assign (resid  24 and name  HB2)   (resid  33 and name   HN)   3.450    1.650    1.650  
assign (resid  24 and name  HB1)   (resid  33 and name   HN)   3.450    1.650    1.650  
assign (resid  21 and name   HN)   (resid  33 and name   HN)   3.650    1.850    1.850  
assign (resid  34 and name   HN)   (resid  43 and name   HA)   3.090    1.290    1.290  
assign (resid  34 and name   HN)   (resid  35 and name   HN)   3.485    1.685    1.685  
assign (resid  34 and name   HN)   (resid  42 and name   HN)   3.110    1.310    1.310  
assign (resid  46 and name   HN)   (resid  47 and name   HN)   3.415    1.615    1.615  
assign (resid  24 and name  HB1)   (resid  43 and name   HA)   3.460    1.660    1.660  
assign (resid  30 and name HD1#)   (resid  43 and name   HA)   3.385    1.585    1.585  
assign (resid   7 and name  HB#)   (resid  43 and name   HN)   3.110    1.310    1.310  
assign (resid  42 and name  HB1)   (resid  43 and name   HN)   2.840    1.040    1.040  
assign (resid   6 and name   HA)   (resid  43 and name   HN)   3.005    1.205    1.205  
assign (resid  42 and name   HA)   (resid  43 and name   HN)   2.470    0.670    0.670  
assign (resid   5 and name   HN)   (resid  43 and name   HN)   2.990    1.190    1.190  
assign (resid  42 and name   HN)   (resid  43 and name   HN)   3.475    1.675    1.675  
assign (resid   7 and name   HN)   (resid  43 and name   HN)   3.045    1.245    1.245  
assign (resid   6 and name   HA)   (resid  42 and name   HA)   2.540    0.740    0.740  
assign (resid   2 and name HG2#)   (resid  46 and name   HN)   3.150    1.350    1.350  
assign (resid  30 and name HD2#)   (resid  46 and name   HN)   3.140    1.340    1.340  
assign (resid  45 and name  HB2)   (resid  46 and name   HN)   2.930    1.130    1.130  
assign (resid  45 and name  HB1)   (resid  46 and name   HN)   2.930    1.130    1.130  
assign (resid  41 and name  HB1)   (resid  42 and name   HN)   2.855    1.055    1.055  
assign (resid  42 and name   HN)   (resid  42 and name  HB2)   2.455    0.655    0.655  
assign (resid  41 and name   HA)   (resid  42 and name   HN)   2.270    0.470    0.470  
assign (resid  45 and name   HA)   (resid  46 and name   HN)   2.435    0.635    0.635  
assign (resid  35 and name   HA)   (resid  42 and name   HN)   2.970    1.170    1.170  
assign (resid  44 and name   HA)   (resid  44 and name HG2#)   2.580    0.780    0.780  
assign (resid  44 and name   HN)   (resid  44 and name HG2#)   2.975    1.175    1.175  
assign (resid  44 and name   HN)   (resid  44 and name   HB)   2.500    0.700    0.700  
assign (resid  44 and name HG2#)   (resid  45 and name   HN)   2.590    0.790    0.790  
assign (resid  45 and name   HN)   (resid  45 and name  HD2)   3.650    1.850    1.850  
assign (resid  45 and name   HN)   (resid  45 and name  HD1)   3.650    1.850    1.850  
assign (resid  16 and name   HB)   (resid  19 and name   HN)   3.065    1.265    1.265  
assign (resid  19 and name   HN)   (resid  19 and name  HB2)   2.745    0.945    0.945  
assign (resid  19 and name   HN)   (resid  19 and name  HB1)   2.745    0.945    0.945  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.675    0.875    0.875  
assign (resid  17 and name HG2#)   (resid  18 and name   HN)   2.830    1.030    1.030  
assign (resid  16 and name HG2#)   (resid  18 and name   HN)   2.775    0.975    0.975  
assign (resid  18 and name   HN)   (resid  21 and name  HB1)   3.395    1.595    1.595  
assign (resid  16 and name   HB)   (resid  18 and name   HN)   2.990    1.190    1.190  
assign (resid  17 and name   HB)   (resid  18 and name   HN)   3.045    1.245    1.245  
assign (resid  16 and name HG2#)   (resid  17 and name   HA)   3.535    1.735    1.735  
assign (resid  16 and name HG2#)   (resid  17 and name   HB)   3.650    1.850    1.850  
assign (resid  17 and name   HA)   (resid  18 and name  HA2)   3.430    1.630    1.630  
assign (resid  16 and name   HB)   (resid  17 and name   HN)   3.000    1.200    1.200  
assign (resid  17 and name   HN)   (resid  17 and name   HB)   2.645    0.845    0.845  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.625    0.825    0.825  
assign (resid  17 and name   HN)   (resid  17 and name HG2#)   2.975    1.175    1.175  
assign (resid  16 and name HG2#)   (resid  17 and name   HN)   2.950    1.150    1.150  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.995    1.195    1.195  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   3.335    1.535    1.535  
assign (resid  16 and name   HN)   (resid  16 and name HG2#)   2.945    1.145    1.145  
assign (resid  16 and name   HN)   (resid  16 and name   HB)   2.850    1.050    1.050  
assign (resid  15 and name  HB2)   (resid  16 and name   HN)   3.020    1.220    1.220  
assign (resid  15 and name  HB1)   (resid  16 and name   HN)   3.020    1.220    1.220  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.465    0.665    0.665  
assign (resid  15 and name   HN)   (resid  15 and name  HB1)   2.905    1.105    1.105  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   2.905    1.105    1.105  
assign (resid  15 and name   HN)   (resid  15 and name  HD#)   3.240    1.440    1.440  
assign (resid  10 and name  HE#)   (resid  15 and name   HN)   3.465    1.665    1.665  
assign (resid  15 and name   HA)   (resid  15 and name  HD#)   2.655    0.855    0.855  
assign (resid  39 and name   HA)   (resid  39 and name  HD#)   2.755    0.955    0.955  
assign (resid  13 and name  HB2)   (resid  15 and name  HD#)   3.265    1.465    1.465  
assign (resid  23 and name   HA)   (resid  23 and name  HD2)   3.365    1.565    1.565  
assign (resid  22 and name  HB2)   (resid  23 and name   HN)   2.845    1.045    1.045  
assign (resid  22 and name  HB1)   (resid  23 and name   HN)   2.690    0.890    0.890  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   2.800    1.000    1.000  
assign (resid   6 and name   HN)   (resid  42 and name  HD1)   3.125    1.325    1.325  
assign (resid  20 and name   HN)   (resid  22 and name   HN)   3.340    1.540    1.540  
assign (resid  14 and name   HN)   (resid  39 and name  HD#)   3.320    1.520    1.520  
assign (resid   5 and name   HA)   (resid   6 and name  HB2)   3.290    1.490    1.490  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.415    0.615    0.615  
assign (resid   4 and name   HA)   (resid  44 and name   HA)   2.960    1.160    1.160  
assign (resid   4 and name   HA)   (resid   4 and name  HG2)   3.020    1.220    1.220  
assign (resid   4 and name   HA)   (resid   4 and name  HG1)   3.020    1.220    1.220  
assign (resid   4 and name   HA)   (resid  44 and name HG2#)   3.175    1.375    1.375  
assign (resid   4 and name   HN)   (resid  44 and name HG2#)   3.630    1.830    1.830  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.805    1.005    1.005  
assign (resid   4 and name   HN)   (resid   4 and name  HB2)   2.805    1.005    1.005  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.365    0.565    0.565  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.405    1.605    1.605  
assign (resid   2 and name   HN)   (resid   3 and name   HN)   3.530    1.730    1.730  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   2.715    0.915    0.915  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.360    0.560    0.560  
assign (resid   2 and name   HB)   (resid   3 and name   HN)   2.475    0.675    0.675  
assign (resid  17 and name   HA)   (resid  21 and name   HN)   3.165    1.365    1.365  
assign (resid   3 and name   HN)   (resid  45 and name  HG1)   3.315    1.515    1.515  
assign (resid   2 and name HG2#)   (resid   3 and name   HN)   2.650    0.850    0.850  
assign (resid  20 and name   HA)   (resid  23 and name  HB2)   2.935    1.135    1.135  
assign (resid  20 and name   HA)   (resid  23 and name  HB1)   2.935    1.135    1.135  
assign (resid  20 and name   HN)   (resid  20 and name  HB2)   2.705    0.905    0.905  
assign (resid  42 and name  HB2)   (resid  42 and name  HE3)   2.775    0.975    0.975  
assign (resid  20 and name   HN)   (resid  21 and name  HB1)   3.450    1.650    1.650  
assign (resid  20 and name   HN)   (resid  20 and name  HB1)   2.705    0.905    0.905  
assign (resid   6 and name HD1#)   (resid  42 and name  HE3)   3.500    1.700    1.700  
assign (resid   6 and name HD2#)   (resid  42 and name  HE3)   3.090    1.290    1.290  
assign (resid  36 and name  HG1)   (resid  42 and name  HE3)   2.960    1.160    1.160  
assign (resid  36 and name  HG2)   (resid  42 and name  HE3)   2.960    1.160    1.160  
assign (resid  40 and name  HG2)   (resid  42 and name  HE3)   3.650    1.850    1.850  
assign (resid  40 and name  HG1)   (resid  42 and name  HE3)   3.650    1.850    1.850  
assign (resid  36 and name  HB2)   (resid  42 and name  HE3)   2.620    0.820    0.820  
assign (resid  36 and name  HB1)   (resid  42 and name  HE3)   3.080    1.280    1.280  
assign (resid  19 and name  HB2)   (resid  20 and name   HN)   2.950    1.150    1.150  
assign (resid  19 and name  HB1)   (resid  20 and name   HN)   2.950    1.150    1.150  
assign (resid  42 and name   HA)   (resid  42 and name  HE3)   3.215    1.415    1.415  
assign (resid  35 and name   HA)   (resid  42 and name  HE3)   3.460    1.660    1.660  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   2.625    0.825    0.825  
assign (resid  42 and name   HN)   (resid  42 and name  HE3)   2.850    1.050    1.050  
assign (resid  36 and name   HN)   (resid  42 and name  HE3)   3.095    1.295    1.295  
assign (resid  19 and name   HA)   (resid  21 and name   HN)   3.285    1.485    1.485  
assign (resid  21 and name   HN)   (resid  22 and name  HB2)   3.410    1.610    1.610  
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.470    0.670    0.670  
assign (resid  19 and name   HA)   (resid  23 and name   HN)   3.240    1.440    1.440  
assign (resid  20 and name   HA)   (resid  23 and name   HN)   3.100    1.300    1.300  
assign (resid  21 and name   HA)   (resid  24 and name   HN)   3.020    1.220    1.220  
assign (resid  20 and name   HA)   (resid  24 and name   HN)   3.260    1.460    1.460  
assign (resid  23 and name  HD2)   (resid  24 and name   HN)   3.050    1.250    1.250  
assign (resid  22 and name   HN)   (resid  24 and name   HN)   3.445    1.645    1.645  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.730    0.930    0.930  
assign (resid  24 and name  HB2)   (resid  25 and name   HN)   2.990    1.190    1.190  
assign (resid  24 and name  HB1)   (resid  25 and name   HN)   2.990    1.190    1.190  
assign (resid  13 and name  HB1)   (resid  14 and name   HN)   2.855    1.055    1.055  
assign (resid  14 and name   HN)   (resid  39 and name   HA)   3.035    1.235    1.235  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.385    0.585    0.585  
assign (resid  10 and name  HE#)   (resid  14 and name   HN)   3.250    1.450    1.450  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.645    0.845    0.845  
assign (resid  36 and name  HB1)   (resid  37 and name   HN)   2.445    0.645    0.645  
assign (resid  36 and name  HB2)   (resid  37 and name   HN)   2.765    0.965    0.965  
assign (resid  37 and name   HN)   (resid  37 and name  HB2)   2.775    0.975    0.975  
assign (resid  37 and name   HN)   (resid  37 and name  HB1)   2.775    0.975    0.975  
assign (resid  46 and name   HN)   (resid  46 and name HD21)   3.440    1.640    1.640  
assign (resid   6 and name   HA)   (resid  42 and name  HD1)   3.140    1.340    1.340  
assign (resid  42 and name  HB1)   (resid  42 and name  HD1)   2.440    0.640    0.640  
assign (resid  42 and name   HA)   (resid  42 and name  HD1)   3.175    1.375    1.375  
assign (resid   6 and name HD1#)   (resid  41 and name   HN)   3.650    1.850    1.850  
assign (resid   7 and name  HB#)   (resid  41 and name   HN)   3.235    1.435    1.435  
assign (resid  41 and name   HN)   (resid  41 and name  HB1)   2.785    0.985    0.985  
assign (resid  41 and name   HN)   (resid  41 and name  HB2)   2.585    0.785    0.785  
assign (resid   6 and name   HA)   (resid  41 and name   HN)   3.650    1.850    1.850  
assign (resid  40 and name   HA)   (resid  41 and name   HN)   2.600    0.800    0.800  
assign (resid  40 and name   HN)   (resid  40 and name  HG2)   3.650    1.850    1.850  
assign (resid  40 and name   HN)   (resid  40 and name  HG1)   3.650    1.850    1.850  
assign (resid  38 and name   HN)   (resid  39 and name   HN)   2.515    0.715    0.715  
assign (resid   3 and name   HN)   (resid  45 and name  HG2)   3.315    1.515    1.515  
assign (resid  17 and name HG2#)   (resid  21 and name   HN)   3.370    1.570    1.570  
assign (resid  18 and name  HA2)   (resid  21 and name   HN)   3.060    1.260    1.260  
assign (resid   5 and name   HA)   (resid  42 and name  HD1)   2.675    0.875    0.875  
assign (resid   6 and name HD2#)   (resid  41 and name   HN)   3.320    1.520    1.520  
assign (resid   6 and name HD2#)   (resid  40 and name   HE)   3.160    1.360    1.360  
assign (resid   6 and name   HG)   (resid  42 and name  HD1)   3.260    1.460    1.460  
assign (resid   6 and name HD1#)   (resid  40 and name   HE)   3.335    1.535    1.535  
assign (resid  19 and name   HA)   (resid  22 and name   HN)   3.000    1.200    1.200  
assign (resid  16 and name HG2#)   (resid  19 and name   HN)   2.740    0.940    0.940  
assign (resid  40 and name   HN)   (resid  42 and name  HE3)   3.420    1.620    1.620  
assign (resid  19 and name   HN)   (resid  21 and name   HN)   3.325    1.525    1.525  
assign (resid  23 and name   HN)   (resid  23 and name  HB2)   2.580    0.780    0.780  
assign (resid  10 and name  HE#)   (resid  23 and name   HN)   3.460    1.660    1.660  
assign (resid  10 and name  HD#)   (resid  23 and name   HN)   3.535    1.735    1.735  
assign (resid  23 and name   HN)   (resid  23 and name  HD2)   3.425    1.625    1.625  
assign (resid  23 and name  HD2)   (resid  24 and name   HA)   2.745    0.945    0.945  
assign (resid   7 and name  HB#)   (resid  23 and name  HD2)   2.770    0.970    0.970  
assign (resid  23 and name   HN)   (resid  25 and name   HN)   3.425    1.625    1.625  
assign (resid  25 and name   HN)   (resid  27 and name   HN)   3.450    1.650    1.650  
assign (resid  25 and name  HB2)   (resid  32 and name   HA)   3.650    1.850    1.850  
assign (resid  22 and name   HA)   (resid  26 and name HD22)   2.975    1.175    1.175  
assign (resid  22 and name   HA)   (resid  26 and name HD21)   2.975    1.175    1.175  
assign (resid  28 and name   HN)   (resid  30 and name   HN)   3.070    1.270    1.270  
assign (resid  31 and name   HN)   (resid  31 and name  HD1)   3.595    1.795    1.795  
assign (resid  34 and name   HN)   (resid  42 and name  HB2)   3.245    1.445    1.445  
assign (resid  34 and name   HN)   (resid  42 and name  HB1)   3.410    1.610    1.610  
assign (resid  34 and name   HN)   (resid  34 and name  HG2)   3.065    1.265    1.265  
assign (resid  34 and name   HN)   (resid  34 and name  HG1)   3.065    1.265    1.265  
assign (resid   2 and name HG2#)   (resid  46 and name   HA)   2.715    0.915    0.915  
assign (resid  46 and name   HN)   (resid  46 and name HD22)   3.440    1.640    1.640  
assign (resid  35 and name   HA)   (resid  41 and name  HB1)   3.435    1.635    1.635  
assign (resid  35 and name   HA)   (resid  36 and name  HB2)   3.085    1.285    1.285  
assign (resid  35 and name   HA)   (resid  42 and name  HB2)   3.360    1.560    1.560  
assign (resid  35 and name   HN)   (resid  35 and name  HB1)   2.905    1.105    1.105  
assign (resid  35 and name   HN)   (resid  35 and name  HB2)   2.905    1.105    1.105  
assign (resid  35 and name   HA)   (resid  36 and name   HN)   2.505    0.705    0.705  
assign (resid  36 and name   HN)   (resid  36 and name  HB2)   2.720    0.920    0.920  
assign (resid  36 and name   HN)   (resid  36 and name  HB1)   2.870    1.070    1.070  
assign (resid  35 and name  HB1)   (resid  36 and name   HN)   3.175    1.375    1.375  
assign (resid  35 and name  HB2)   (resid  36 and name   HN)   3.175    1.375    1.375  
assign (resid  38 and name   HN)   (resid  38 and name  HB1)   2.940    1.140    1.140  
assign (resid  38 and name   HN)   (resid  38 and name  HB2)   2.940    1.140    1.140  
assign (resid  33 and name  HA2)   (resid  43 and name   HA)   2.775    0.975    0.975  
assign (resid  33 and name  HA1)   (resid  43 and name   HA)   2.775    0.975    0.975  
assign (resid  30 and name HD1#)   (resid  44 and name   HN)   3.155    1.355    1.355  
assign (resid   7 and name  HB#)   (resid  10 and name  HD#)   2.875    1.075    1.075  
assign (resid  25 and name  HE2)   (resid  32 and name   HA)   3.365    1.565    1.565  
assign (resid  25 and name  HE1)   (resid  32 and name   HA)   3.365    1.565    1.565  
assign (resid   7 and name  HB#)   (resid  42 and name   HA)   3.030    1.230    1.230  
assign (resid  17 and name HG2#)   (resid  18 and name  HA1)   3.350    1.550    1.550  
assign (resid  17 and name HG2#)   (resid  18 and name  HA2)   3.080    1.280    1.280  
assign (resid  18 and name  HA2)   (resid  21 and name  HB1)   2.860    1.060    1.060  
assign (resid  14 and name  HB1)   (resid  39 and name   HA)   2.930    1.130    1.130  
assign (resid  18 and name  HA2)   (resid  21 and name  HB2)   2.980    1.180    1.180  
assign (resid  31 and name  HD2)   (resid  44 and name HG2#)   2.900    1.100    1.100  
assign (resid  31 and name  HD1)   (resid  44 and name HG2#)   2.900    1.100    1.100  
assign (resid   4 and name  HG1)   (resid  42 and name  HB1)   3.115    1.315    1.315  
assign (resid   7 and name  HB#)   (resid  41 and name  HB2)   2.560    0.760    0.760  
assign (resid   2 and name   HA)   (resid  46 and name   HA)   3.190    1.390    1.390  
assign (resid  24 and name  HB2)   (resid  43 and name  HB1)   3.100    1.300    1.300  
assign (resid  24 and name  HB1)   (resid  43 and name  HB1)   3.100    1.300    1.300  
assign (resid  10 and name  HD#)   (resid  14 and name   HA)   3.650    1.850    1.850  
assign (resid  10 and name  HE#)   (resid  14 and name   HA)   2.835    1.035    1.035  
assign (resid  10 and name  HE#)   (resid  41 and name  HB2)   3.470    1.670    1.670  
assign (resid   7 and name  HB#)   (resid  10 and name  HE#)   3.495    1.695    1.695  
assign (resid  19 and name   HA)   (resid  22 and name  HB1)   3.010    1.210    1.210  
assign (resid  28 and name   HA)   (resid  28 and name  HG2)   2.790    0.990    0.990  
assign (resid  24 and name   HA)   (resid  28 and name  HG2)   3.030    1.230    1.230  
assign (resid  30 and name  HB1)   (resid  30 and name HD1#)   2.720    0.920    0.920  
assign (resid  24 and name  HB2)   (resid  43 and name   HA)   3.460    1.660    1.660  
assign (resid  16 and name   HA)   (resid  16 and name HG2#)   2.665    0.865    0.865  
assign (resid  13 and name  HB1)   (resid  39 and name  HD#)   3.360    1.560    1.560  
assign (resid  13 and name  HB2)   (resid  15 and name  HE#)   3.160    1.360    1.360  
assign (resid  13 and name  HB2)   (resid  39 and name  HD#)   3.330    1.530    1.530  
assign (resid  15 and name   HA)   (resid  15 and name  HE#)   3.175    1.375    1.375  
assign (resid  28 and name  HB1)   (resid  30 and name HD1#)   2.975    1.175    1.175  
assign (resid  28 and name  HB2)   (resid  30 and name HD1#)   2.975    1.175    1.175  
assign (resid  30 and name HD1#)   (resid  43 and name  HB2)   2.710    0.910    0.910  
assign (resid  30 and name HD1#)   (resid  43 and name  HB1)   2.730    0.930    0.930  
assign (resid   4 and name  HG2)   (resid  42 and name  HB1)   3.115    1.315    1.315  
assign (resid  25 and name  HB1)   (resid  32 and name   HA)   3.650    1.850    1.850  
assign (resid  25 and name  HD2)   (resid  32 and name   HA)   3.650    1.850    1.850  
assign (resid  25 and name  HD1)   (resid  32 and name   HA)   3.650    1.850    1.850  
assign (resid   1 and name  HG#)   (resid   2 and name   HN)   2.780    0.980    0.980  
assign (resid   3 and name   HN)   (resid  45 and name  HG#)   2.945    1.145    1.145  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   3.030    1.230    1.230  
assign (resid   3 and name  HB#)   (resid  47 and name  HB#)   2.880    1.080    1.080  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.570    0.770    0.770  
assign (resid   4 and name   HN)   (resid   4 and name  HG#)   3.235    1.435    1.435  
assign (resid   4 and name   HA)   (resid   4 and name  HG#)   2.730    0.930    0.930  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.975    1.175    1.175  
assign (resid   4 and name  HB#)   (resid  42 and name  HB1)   3.100    1.300    1.300  
assign (resid   4 and name  HB#)   (resid  42 and name  HD1)   2.680    0.880    0.880  
assign (resid   4 and name  HB#)   (resid  44 and name   HA)   3.275    1.475    1.475  
assign (resid   4 and name  HG#)   (resid   5 and name   HN)   2.880    1.080    1.080  
assign (resid   4 and name  HG#)   (resid  42 and name  HB1)   2.740    0.940    0.940  
assign (resid   4 and name  HG#)   (resid  42 and name  HD1)   2.560    0.760    0.760  
assign (resid   4 and name  HG#)   (resid  44 and name   HA)   3.180    1.380    1.380  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.655    0.855    0.855  
assign (resid   5 and name  HB#)   (resid   6 and name   HN)   2.855    1.055    1.055  
assign (resid   6 and name HD1#)   (resid  40 and name  HB#)   3.120    1.320    1.320  
assign (resid   6 and name HD1#)   (resid  40 and name  HG#)   2.900    1.100    1.100  
assign (resid   6 and name HD2#)   (resid  40 and name  HB#)   2.775    0.975    0.975  
assign (resid   6 and name HD2#)   (resid  40 and name  HG#)   2.660    0.860    0.860  
assign (resid   7 and name  HB#)   (resid  10 and name  HB#)   2.630    0.830    0.830  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.680    0.880    0.880  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   2.860    1.060    1.060  
assign (resid  10 and name  HB#)   (resid  23 and name  HD2)   2.885    1.085    1.085  
assign (resid  10 and name  HD#)   (resid  20 and name  HB#)   3.345    1.545    1.545  
assign (resid  10 and name  HD#)   (resid  23 and name  HB#)   2.500    0.700    0.700  
assign (resid  10 and name  HE#)   (resid  20 and name  HB#)   3.060    1.260    1.260  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.515    0.715    0.715  
assign (resid  11 and name   HN)   (resid  11 and name  HG#)   2.860    1.060    1.060  
assign (resid  11 and name  HB#)   (resid  11 and name  HZ#)   3.400    1.600    1.600  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.945    1.145    1.145  
assign (resid  11 and name  HG#)   (resid  12 and name   HN)   3.280    1.480    1.480  
assign (resid  12 and name   HN)   (resid  13 and name  HD#)   3.270    1.470    1.470  
assign (resid  12 and name  HA#)   (resid  13 and name  HG#)   3.135    1.335    1.335  
assign (resid  12 and name  HA#)   (resid  13 and name  HD#)   2.340    0.540    0.540  
assign (resid  13 and name  HG#)   (resid  15 and name  HE#)   3.055    1.255    1.255  
assign (resid  14 and name   HN)   (resid  39 and name  HB#)   3.105    1.305    1.305  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.485    0.685    0.685  
assign (resid  15 and name  HB#)   (resid  16 and name   HN)   2.685    0.885    0.885  
assign (resid  15 and name  HB#)   (resid  16 and name   HB)   3.155    1.355    1.355  
assign (resid  16 and name HG2#)   (resid  19 and name  HB#)   3.570    1.770    1.770  
assign (resid  17 and name   HA)   (resid  20 and name  HB#)   2.830    1.030    1.030  
assign (resid  19 and name   HN)   (resid  19 and name  HB#)   2.415    0.615    0.615  
assign (resid  19 and name   HN)   (resid  20 and name  HB#)   3.435    1.635    1.635  
assign (resid  19 and name   HA)   (resid  23 and name  HB#)   3.570    1.770    1.770  
assign (resid  19 and name  HB#)   (resid  20 and name   HN)   2.620    0.820    0.820  
assign (resid  20 and name   HN)   (resid  20 and name  HB#)   2.450    0.650    0.650  
assign (resid  20 and name  HB#)   (resid  21 and name   HN)   2.705    0.905    0.905  
assign (resid  20 and name  HB#)   (resid  34 and name   HN)   3.570    1.770    1.770  
assign (resid  20 and name  HB#)   (resid  34 and name   HA)   3.280    1.480    1.480  
assign (resid  22 and name   HA)   (resid  26 and name HD2#)   2.640    0.840    0.840  
assign (resid  22 and name  HB1)   (resid  26 and name HD2#)   2.970    1.170    1.170  
assign (resid  23 and name  HB#)   (resid  23 and name  HD2)   2.640    0.840    0.840  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   2.550    0.750    0.750  
assign (resid  23 and name  HD2)   (resid  28 and name  HB#)   3.365    1.565    1.565  
assign (resid  23 and name  HD2)   (resid  28 and name  HG#)   3.145    1.345    1.345  
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.475    0.675    0.675  
assign (resid  24 and name   HN)   (resid  25 and name  HB#)   3.390    1.590    1.590  
assign (resid  24 and name   HA)   (resid  28 and name  HB#)   2.695    0.895    0.895  
assign (resid  24 and name   HA)   (resid  28 and name  HG#)   2.735    0.935    0.935  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   2.650    0.850    0.850  
assign (resid  24 and name  HB#)   (resid  30 and name HD1#)   3.180    1.380    1.380  
assign (resid  24 and name  HB#)   (resid  32 and name   HN)   3.210    1.410    1.410  
assign (resid  24 and name  HB#)   (resid  33 and name   HN)   3.105    1.305    1.305  
assign (resid  24 and name  HB#)   (resid  43 and name   HA)   3.030    1.230    1.230  
assign (resid  24 and name  HB#)   (resid  43 and name  HB1)   2.760    0.960    0.960  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.485    0.685    0.685  
assign (resid  25 and name   HN)   (resid  25 and name  HG#)   2.600    0.800    0.800  
assign (resid  25 and name   HA)   (resid  25 and name  HG#)   2.695    0.895    0.895  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   2.575    0.775    0.775  
assign (resid  25 and name  HB#)   (resid  26 and name   HA)   3.520    1.720    1.720  
assign (resid  25 and name  HB#)   (resid  32 and name   HA)   3.220    1.420    1.420  
assign (resid  25 and name  HG#)   (resid  25 and name  HE#)   2.480    0.680    0.680  
assign (resid  25 and name  HE#)   (resid  32 and name   HA)   2.930    1.130    1.130  
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.455    0.655    0.655  
assign (resid  26 and name   HN)   (resid  26 and name HD2#)   3.125    1.325    1.325  
assign (resid  26 and name  HB#)   (resid  26 and name HD2#)   2.390    0.590    0.590  
assign (resid  26 and name  HB#)   (resid  27 and name   HN)   2.775    0.975    0.975  
assign (resid  27 and name   HN)   (resid  27 and name  HB#)   2.530    0.730    0.730  
assign (resid  27 and name   HN)   (resid  27 and name  HG#)   3.220    1.420    1.420  
assign (resid  27 and name   HN)   (resid  27 and name  HD#)   3.090    1.290    1.290  
assign (resid  27 and name   HN)   (resid  28 and name  HG#)   3.570    1.770    1.770  
assign (resid  27 and name   HA)   (resid  27 and name  HD#)   2.560    0.760    0.760  
assign (resid  27 and name  HB#)   (resid  28 and name   HN)   2.595    0.795    0.795  
assign (resid  28 and name   HN)   (resid  28 and name  HB#)   2.595    0.795    0.795  
assign (resid  28 and name   HN)   (resid  28 and name  HG#)   2.930    1.130    1.130  
assign (resid  28 and name   HA)   (resid  28 and name  HG#)   2.520    0.720    0.720  
assign (resid  28 and name  HB#)   (resid  29 and name   HN)   2.940    1.140    1.140  
assign (resid  28 and name  HB#)   (resid  30 and name   HN)   2.880    1.080    1.080  
assign (resid  28 and name  HB#)   (resid  30 and name  HB#)   3.345    1.545    1.545  
assign (resid  28 and name  HB#)   (resid  30 and name   HG)   2.810    1.010    1.010  
assign (resid  28 and name  HB#)   (resid  30 and name HD1#)   2.710    0.910    0.910  
assign (resid  28 and name  HG#)   (resid  29 and name   HN)   3.570    1.770    1.770  
assign (resid  29 and name  HB#)   (resid  29 and name  HE1)   3.250    1.450    1.450  
assign (resid  30 and name   HN)   (resid  30 and name  HB#)   2.535    0.735    0.735  
assign (resid  30 and name  HB#)   (resid  30 and name HD1#)   2.460    0.660    0.660  
assign (resid  30 and name  HB#)   (resid  30 and name HD2#)   2.390    0.590    0.590  
assign (resid  30 and name  HB#)   (resid  31 and name   HN)   2.315    0.515    0.515  
assign (resid  30 and name  HB#)   (resid  43 and name  HB1)   2.910    1.110    1.110  
assign (resid  30 and name  HB#)   (resid  44 and name   HN)   3.365    1.565    1.565  
assign (resid  30 and name HD2#)   (resid  45 and name  HB#)   2.680    0.880    0.880  
assign (resid  31 and name   HN)   (resid  31 and name  HB#)   2.405    0.605    0.605  
assign (resid  31 and name   HN)   (resid  31 and name  HD#)   3.270    1.470    1.470  
assign (resid  31 and name   HA)   (resid  31 and name  HG#)   2.570    0.770    0.770  
assign (resid  31 and name  HB#)   (resid  31 and name  HD#)   2.565    0.765    0.765  
assign (resid  31 and name  HB#)   (resid  31 and name   HE)   3.005    1.205    1.205  
assign (resid  31 and name  HB#)   (resid  32 and name   HN)   2.620    0.820    0.820  
assign (resid  31 and name  HB#)   (resid  44 and name   HN)   3.325    1.525    1.525  
assign (resid  31 and name  HG#)   (resid  31 and name   HE)   2.710    0.910    0.910  
assign (resid  31 and name  HG#)   (resid  32 and name   HN)   3.040    1.240    1.240  
assign (resid  31 and name  HD#)   (resid  32 and name   HN)   3.355    1.555    1.555  
assign (resid  31 and name  HD#)   (resid  44 and name HG2#)   2.550    0.750    0.750  
assign (resid  33 and name   HN)   (resid  34 and name  HG#)   3.390    1.590    1.590  
assign (resid  33 and name  HA#)   (resid  34 and name   HN)   2.395    0.595    0.595  
assign (resid  33 and name  HA#)   (resid  43 and name   HA)   2.520    0.720    0.720  
assign (resid  33 and name  HA#)   (resid  44 and name   HN)   2.990    1.190    1.190  
assign (resid  34 and name   HN)   (resid  34 and name  HG#)   2.780    0.980    0.980  
assign (resid  34 and name   HA)   (resid  34 and name  HG#)   2.765    0.965    0.965  
assign (resid  34 and name  HG#)   (resid  35 and name   HN)   3.140    1.340    1.340  
assign (resid  35 and name   HN)   (resid  35 and name  HB#)   2.565    0.765    0.765  
assign (resid  35 and name  HB#)   (resid  36 and name   HN)   2.740    0.940    0.940  
assign (resid  36 and name   HN)   (resid  36 and name  HG#)   2.890    1.090    1.090  
assign (resid  36 and name   HA)   (resid  36 and name  HG#)   2.680    0.880    0.880  
assign (resid  36 and name  HG#)   (resid  42 and name  HE3)   2.585    0.785    0.785  
assign (resid  37 and name   HN)   (resid  37 and name  HB#)   2.475    0.675    0.675  
assign (resid  38 and name   HN)   (resid  38 and name  HB#)   2.630    0.830    0.830  
assign (resid  39 and name   HN)   (resid  39 and name  HB#)   2.725    0.925    0.925  
assign (resid  40 and name   HN)   (resid  40 and name  HB#)   2.645    0.845    0.845  
assign (resid  40 and name   HN)   (resid  40 and name  HG#)   3.265    1.465    1.465  
assign (resid  40 and name   HA)   (resid  40 and name  HG#)   2.685    0.885    0.885  
assign (resid  40 and name  HB#)   (resid  40 and name   HE)   2.870    1.070    1.070  
assign (resid  40 and name  HB#)   (resid  41 and name   HN)   3.070    1.270    1.270  
assign (resid  40 and name  HG#)   (resid  41 and name   HN)   2.575    0.775    0.775  
assign (resid  45 and name   HN)   (resid  45 and name  HG#)   2.685    0.885    0.885  
assign (resid  45 and name   HA)   (resid  45 and name  HG#)   2.765    0.965    0.965  
assign (resid  45 and name  HB#)   (resid  46 and name   HN)   2.520    0.720    0.720  
assign (resid  45 and name  HG#)   (resid  46 and name   HN)   2.965    1.165    1.165  
assign (resid  46 and name   HN)   (resid  46 and name  HB#)   2.460    0.660    0.660  
assign (resid  46 and name   HN)   (resid  46 and name HD2#)   3.135    1.335    1.335  
assign (resid  46 and name  HB#)   (resid  46 and name HD2#)   2.465    0.665    0.665  
assign (resid  46 and name  HB#)   (resid  47 and name   HN)   2.710    0.910    0.910  
!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 -110.0   30.0 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 -100.0   80.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -120.0   30.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  140.0   30.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0 -130.0   30.0 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   30.0 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0  -70.0   30.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  130.0   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  -70.0   30.0 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   40.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -70.0   40.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  -20.0   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 -100.0   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 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    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 -110.0   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  130.0   40.0 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  -30.0   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   20.0 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  -70.0   20.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  -40.0   20.0 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0  -70.0   20.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0  -40.0   20.0 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0  -60.0   20.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  -40.0   20.0 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0  -75.0   15.0 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   20.0 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -70.0   20.0 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    ) (resid 24    and name N    )    1.0  -40.0   20.0 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0  -70.0   20.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  -40.0   20.0 2
assign (resid 24    and name C    ) (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    )    1.0  -60.0   20.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    ) (resid 26    and name N    )    1.0  -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   20.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  -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  -70.0   20.0 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    ) (resid 28    and name N    )    1.0  -20.0   30.0 2
assign (resid 27    and name C    ) (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    )    1.0  -90.0   30.0 2
assign (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    ) (resid 29    and name N    )    1.0  -10.0   30.0 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   30.0 2
assign (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    ) (resid 32    and name N    )    1.0  -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 -120.0   40.0 2
assign (resid 34    and name N    ) (resid 34    and name CA   ) (resid 34    and name C    ) (resid 35    and name N    )    1.0  150.0   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  -90.0   30.0 2
assign (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    ) (resid 36    and name N    )    1.0  120.0   40.0 2
assign (resid 35    and name C    ) (resid 36    and name N    ) (resid 36    and name CA   ) (resid 36    and name C    )    1.0  -80.0   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  160.0   20.0 2
assign (resid 36    and name C    ) (resid 37    and name N    ) (resid 37    and name CA   ) (resid 37    and name C    )    1.0  -70.0   30.0 2
assign (resid 37    and name N    ) (resid 37    and name CA   ) (resid 37    and name C    ) (resid 38    and name N    )    1.0  -20.0   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  -90.0   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   60.0   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   30.0   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 -100.0   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  150.0   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  -80.0   30.0 2
assign (resid 41    and name N    ) (resid 41    and name CA   ) (resid 41    and name C    ) (resid 42    and name N    )    1.0  120.0   40.0 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   40.0 2
assign (resid 42    and name N    ) (resid 42    and name CA   ) (resid 42    and name C    ) (resid 43    and name N    )    1.0  135.0   35.0 2
assign (resid 42    and name C    ) (resid 43    and name N    ) (resid 43    and name CA   ) (resid 43    and name C    )    1.0 -100.0   30.0 2
assign (resid 43    and name N    ) (resid 43    and name CA   ) (resid 43    and name C    ) (resid 44    and name N    )    1.0  120.0   30.0 2
assign (resid 43    and name C    ) (resid 44    and name N    ) (resid 44    and name CA   ) (resid 44    and name C    )    1.0 -110.0   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  130.0   30.0 2
assign (resid 44    and name C    ) (resid 45    and name N    ) (resid 45    and name CA   ) (resid 45    and name C    )    1.0 -140.0   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  -70.0   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  140.0   30.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name CB   ) (resid 4     and name CG   )    1.0  180.0   30.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name CB   ) (resid 6     and name CG   )    1.0  -60.0   30.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name CB   ) (resid 10    and name CG   )    1.0  180.0   30.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name CB   ) (resid 15    and name CG   )    1.0  -60.0   30.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name CB   ) (resid 20    and name SG   )    1.0 -120.0   90.0 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name CB   ) (resid 23    and name CG   )    1.0  180.0   30.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name CB   ) (resid 24    and name SG   )    1.0  -60.0   30.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name CB   ) (resid 26    and name CG   )    1.0  -60.0   30.0 2
assign (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name CB   ) (resid 30    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 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name CB   ) (resid 35    and name SG   )    1.0  -60.0   30.0 2
assign (resid 41    and name N    ) (resid 41    and name CA   ) (resid 41    and name CB   ) (resid 41    and name SG   )    1.0  -60.0   30.0 2
assign (resid 43    and name N    ) (resid 43    and name CA   ) (resid 43    and name CB   ) (resid 43    and name SG   )    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 CG   )    1.0  -60.0   30.0 2
!hbond restraints
assign (resid 3     and name HN   ) (resid 45    and name O    )    0    0    2
assign (resid 3     and name N    ) (resid 45    and name O    )    0    0    3
assign (resid 5     and name HN   ) (resid 43    and name O    )    0    0    2
assign (resid 5     and name N    ) (resid 43    and name O    )    0    0    3
assign (resid 7     and name HN   ) (resid 41    and name O    )    0    0    2
assign (resid 7     and name N    ) (resid 41    and name O    )    0    0    3
assign (resid 17    and name O    ) (resid 21    and name HN   )    0    0    2
assign (resid 17    and name O    ) (resid 21    and name N    )    0    0    3
assign (resid 18    and name O    ) (resid 22    and name HN   )    0    0    2
assign (resid 18    and name O    ) (resid 22    and name N    )    0    0    3
assign (resid 19    and name O    ) (resid 23    and name HN   )    0    0    2
assign (resid 19    and name O    ) (resid 23    and name N    )    0    0    3
assign (resid 20    and name O    ) (resid 24    and name HN   )    0    0    2
assign (resid 20    and name O    ) (resid 24    and name N    )    0    0    3
assign (resid 34    and name O    ) (resid 42    and name HN   )    0    0    2
assign (resid 34    and name O    ) (resid 42    and name N    )    0    0    3
assign (resid 5     and name O    ) (resid 43    and name HN   )    0    0    2
assign (resid 5     and name O    ) (resid 43    and name N    )    0    0    3
assign (resid 32    and name O    ) (resid 44    and name HN   )    0    0    2
assign (resid 32    and name O    ) (resid 44    and name N    )    0    0    3
assign (resid 45    and name HN   ) (resid 3    and name O    )    0    0    2
assign (resid 45    and name N    ) (resid 3    and name O    )    0    0    3
assign (resid 36    and name HN   ) (resid 40    and name O    )    0    0    2
assign (resid 36    and name N    ) (resid 40    and name O    )    0    0    3
assign (resid 34    and name HN   ) (resid 42    and name O    )    0    0    2
assign (resid 34    and name N    ) (resid 42    and name O    )    0    0    3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1          1HT       LYS   1   9.613  13.915   4.772
    2    H2   LYS   1          2HT       LYS   1   9.464  12.250   5.013
    3    H3   LYS   1          3HT       LYS   1   8.385  13.075   4.023
    4    HA   LYS   1           HA       LYS   1   9.999  13.604   2.426
    5    HB2  LYS   1          2HB       LYS   1  12.318  12.814   2.601
    6    HB3  LYS   1          1HB       LYS   1  11.921  13.932   3.895
    7    HG2  LYS   1          2HG       LYS   1  11.669  12.063   5.444
    8    HG3  LYS   1          1HG       LYS   1  12.034  10.924   4.149
    9    HD2  LYS   1          2HD       LYS   1  13.901  13.071   5.177
   10    HD3  LYS   1          1HD       LYS   1  13.959  11.373   5.637
   11    HE2  LYS   1          2HE       LYS   1  14.423  10.747   3.325
   12    HE3  LYS   1          1HE       LYS   1  14.310  12.427   2.826
   13    HZ1  LYS   1          1HZ       LYS   1  16.604  11.753   3.094
   14    HZ2  LYS   1          2HZ       LYS   1  16.335  11.306   4.685
   15    HZ3  LYS   1          3HZ       LYS   1  16.218  12.927   4.240
   16    H    THR   2           HN       THR   2   8.102  11.410   3.110
   17    HA   THR   2           HA       THR   2   9.333   9.313   1.498
   18    HB   THR   2           HB       THR   2   7.344   7.942   2.403
   19    HG1  THR   2          1HG       THR   2   6.123   9.589   3.300
   20   HG21  THR   2          1HG2      THR   2   9.648   7.570   3.138
   21   HG22  THR   2          2HG2      THR   2   8.529   7.391   4.491
   22   HG23  THR   2          3HG2      THR   2   9.489   8.864   4.327
   23    H    CYS   3           HN       CYS   3   7.905   8.346  -0.108
   24    HA   CYS   3           HA       CYS   3   6.039  10.364  -1.173
   25    HB2  CYS   3          2HB       CYS   3   7.310   8.060  -2.658
   26    HB3  CYS   3          1HB       CYS   3   6.492   9.456  -3.348
   27    H    GLU   4           HN       GLU   4   4.053   9.374  -2.170
   28    HA   GLU   4           HA       GLU   4   3.546   6.674  -1.290
   29    HB2  GLU   4          2HB       GLU   4   2.935   8.154   0.604
   30    HB3  GLU   4          1HB       GLU   4   1.819   9.005  -0.447
   31    HG2  GLU   4          2HG       GLU   4   0.435   7.116  -0.639
   32    HG3  GLU   4          1HG       GLU   4   1.615   6.077   0.164
   33    H    ASN   5           HN       ASN   5   2.597   5.635  -2.879
   34    HA   ASN   5           HA       ASN   5   1.002   7.148  -4.838
   35    HB2  ASN   5          2HB       ASN   5   2.044   5.947  -6.694
   36    HB3  ASN   5          1HB       ASN   5   3.273   6.794  -5.771
   37   HD21  ASN   5          1HD2      ASN   5   2.034   3.704  -6.731
   38   HD22  ASN   5          2HD2      ASN   5   3.347   2.763  -6.144
   39    H    LEU   6           HN       LEU   6  -0.337   5.679  -6.228
   40    HA   LEU   6           HA       LEU   6  -1.822   3.936  -4.574
   41    HB2  LEU   6          2HB       LEU   6  -1.955   4.598  -7.488
   42    HB3  LEU   6          1HB       LEU   6  -2.971   3.360  -6.786
   43    HG   LEU   6           HG       LEU   6  -2.960   6.265  -5.960
   44   HD11  LEU   6          1HD1      LEU   6  -5.166   6.301  -6.979
   45   HD12  LEU   6          2HD1      LEU   6  -4.970   4.635  -7.513
   46   HD13  LEU   6          3HD1      LEU   6  -3.935   5.912  -8.180
   47   HD21  LEU   6          1HD2      LEU   6  -4.602   3.908  -5.156
   48   HD22  LEU   6          2HD2      LEU   6  -4.982   5.582  -4.759
   49   HD23  LEU   6          3HD2      LEU   6  -3.521   4.842  -4.116
   50    H    ALA   7           HN       ALA   7  -1.897   1.847  -4.380
   51    HA   ALA   7           HA       ALA   7   0.125   0.147  -5.443
   52    HB1  ALA   7          1HB       ALA   7  -1.242  -1.659  -4.437
   53    HB2  ALA   7          2HB       ALA   7  -2.530  -0.486  -4.138
   54    HB3  ALA   7          3HB       ALA   7  -0.987  -0.324  -3.307
   55    H    ASP   8           HN       ASP   8   0.135  -0.600  -7.496
   56    HA   ASP   8           HA       ASP   8  -2.154   0.115  -9.072
   57    HB2  ASP   8          2HB       ASP   8   0.043   0.651  -9.952
   58    HB3  ASP   8          1HB       ASP   8   0.463  -1.063  -9.991
   59    H    THR   9           HN       THR   9  -0.584  -2.840  -8.089
   60    HA   THR   9           HA       THR   9  -2.451  -4.330  -9.714
   61    HB   THR   9           HB       THR   9  -0.178  -5.166  -9.675
   62    HG1  THR   9          1HG       THR   9  -2.208  -6.727  -8.636
   63   HG21  THR   9          1HG2      THR   9  -0.519  -5.529  -6.705
   64   HG22  THR   9          2HG2      THR   9   0.497  -4.325  -7.495
   65   HG23  THR   9          3HG2      THR   9   0.879  -6.040  -7.655
   66    H    TYR  10           HN       TYR  10  -3.038  -2.703  -7.131
   67    HA   TYR  10           HA       TYR  10  -4.513  -4.780  -5.712
   68    HB2  TYR  10          2HB       TYR  10  -3.069  -3.175  -4.405
   69    HB3  TYR  10          1HB       TYR  10  -4.151  -1.886  -4.914
   70    HD1  TYR  10          1HD       TYR  10  -6.485  -1.823  -4.044
   71    HD2  TYR  10          2HD       TYR  10  -3.674  -4.698  -2.673
   72    HE1  TYR  10          1HE       TYR  10  -7.913  -2.283  -2.125
   73    HE2  TYR  10          2HE       TYR  10  -5.090  -5.174  -0.733
   74    HH   TYR  10           HH       TYR  10  -8.318  -4.068  -0.541
   75    H    LYS  11           HN       LYS  11  -6.319  -5.114  -6.979
   76    HA   LYS  11           HA       LYS  11  -7.908  -2.723  -7.500
   77    HB2  LYS  11          2HB       LYS  11  -8.050  -5.457  -8.801
   78    HB3  LYS  11          1HB       LYS  11  -9.304  -4.256  -8.987
   79    HG2  LYS  11          2HG       LYS  11  -7.948  -4.203 -10.942
   80    HG3  LYS  11          1HG       LYS  11  -7.599  -2.746 -10.020
   81    HD2  LYS  11          2HD       LYS  11  -5.544  -3.729  -9.193
   82    HD3  LYS  11          1HD       LYS  11  -5.924  -5.252  -9.997
   83    HE2  LYS  11          2HE       LYS  11  -4.312  -4.024 -11.302
   84    HE3  LYS  11          1HE       LYS  11  -5.839  -4.104 -12.169
   85    HZ1  LYS  11          1HZ       LYS  11  -4.911  -1.917 -12.340
   86    HZ2  LYS  11          2HZ       LYS  11  -4.745  -1.766 -10.690
   87    HZ3  LYS  11          3HZ       LYS  11  -6.295  -1.792 -11.382
   88    H    GLY  12           HN       GLY  12  -9.461  -2.347  -6.151
   89    HA2  GLY  12          2HA       GLY  12 -11.581  -3.437  -5.374
   90    HA3  GLY  12          1HA       GLY  12 -10.503  -4.591  -4.594
   91    HA   PRO  13           HA       PRO  13 -10.996  -0.917  -1.796
   92    HB2  PRO  13          2HB       PRO  13 -12.913  -2.308  -0.154
   93    HB3  PRO  13          1HB       PRO  13 -13.153  -0.832  -1.089
   94    HG2  PRO  13          2HG       PRO  13 -14.368  -3.213  -1.673
   95    HG3  PRO  13          1HG       PRO  13 -14.031  -1.959  -2.880
   96    HD2  PRO  13          2HD       PRO  13 -12.488  -4.445  -2.243
   97    HD3  PRO  13          1HD       PRO  13 -12.905  -3.762  -3.831
   98    H    CYS  14           HN       CYS  14 -10.136  -0.772   0.270
   99    HA   CYS  14           HA       CYS  14  -8.687  -3.053   1.245
  100    HB2  CYS  14          2HB       CYS  14  -7.502  -0.968   1.266
  101    HB3  CYS  14          1HB       CYS  14  -8.815  -0.170   2.127
  102    H    PHE  15           HN       PHE  15  -9.771  -4.486   2.414
  103    HA   PHE  15           HA       PHE  15 -11.795  -3.514   4.277
  104    HB2  PHE  15          2HB       PHE  15 -11.139  -6.331   3.392
  105    HB3  PHE  15          1HB       PHE  15 -12.405  -5.906   4.541
  106    HD1  PHE  15          1HD       PHE  15 -11.610  -6.389   1.114
  107    HD2  PHE  15          2HD       PHE  15 -14.202  -4.272   3.743
  108    HE1  PHE  15          1HE       PHE  15 -13.173  -6.001  -0.734
  109    HE2  PHE  15          2HE       PHE  15 -15.765  -3.886   1.898
  110    HZ   PHE  15           HZ       PHE  15 -15.255  -4.746  -0.341
  111    H    THR  16           HN       THR  16  -8.633  -4.830   4.142
  112    HA   THR  16           HA       THR  16  -8.439  -4.396   6.998
  113    HB   THR  16           HB       THR  16  -7.348  -6.858   5.611
  114    HG1  THR  16          1HG       THR  16  -9.729  -6.251   6.809
  115   HG21  THR  16          1HG2      THR  16  -5.973  -6.122   7.512
  116   HG22  THR  16          2HG2      THR  16  -6.837  -7.606   7.924
  117   HG23  THR  16          3HG2      THR  16  -7.408  -6.056   8.533
  118    H    THR  17           HN       THR  17  -6.816  -3.036   7.347
  119    HA   THR  17           HA       THR  17  -5.180  -2.044   5.325
  120    HB   THR  17           HB       THR  17  -4.662  -1.886   8.308
  121    HG1  THR  17          1HG       THR  17  -5.907   0.159   6.870
  122   HG21  THR  17          1HG2      THR  17  -3.522   0.225   7.743
  123   HG22  THR  17          2HG2      THR  17  -3.856  -0.052   6.033
  124   HG23  THR  17          3HG2      THR  17  -2.774  -1.135   6.902
  125    H    GLY  18           HN       GLY  18  -4.638  -4.567   7.713
  126    HA2  GLY  18          2HA       GLY  18  -1.916  -5.012   7.417
  127    HA3  GLY  18          1HA       GLY  18  -3.095  -6.260   7.796
  128    H    SER  19           HN       SER  19  -4.580  -6.294   5.447
  129    HA   SER  19           HA       SER  19  -3.032  -7.905   3.752
  130    HB2  SER  19          2HB       SER  19  -5.660  -6.528   3.144
  131    HB3  SER  19          1HB       SER  19  -5.042  -8.013   2.415
  132    HG   SER  19           HG       SER  19  -5.028  -8.832   4.632
  133    H    CYS  20           HN       CYS  20  -4.238  -4.590   3.485
  134    HA   CYS  20           HA       CYS  20  -3.234  -3.955   0.938
  135    HB2  CYS  20          2HB       CYS  20  -4.939  -2.643   2.053
  136    HB3  CYS  20          1HB       CYS  20  -3.827  -2.244   3.351
  137    H    ASP  21           HN       ASP  21  -1.905  -3.569   4.153
  138    HA   ASP  21           HA       ASP  21   0.477  -2.214   3.636
  139    HB2  ASP  21          2HB       ASP  21  -0.506  -2.509   5.857
  140    HB3  ASP  21          1HB       ASP  21  -0.237  -4.238   5.761
  141    H    ASP  22           HN       ASP  22  -0.262  -5.622   3.896
  142    HA   ASP  22           HA       ASP  22   2.270  -6.734   3.394
  143    HB2  ASP  22          2HB       ASP  22   0.431  -8.044   4.307
  144    HB3  ASP  22          1HB       ASP  22  -0.505  -7.774   2.854
  145    H    HIS  23           HN       HIS  23  -0.360  -5.788   1.271
  146    HA   HIS  23           HA       HIS  23   0.626  -6.894  -1.105
  147    HB2  HIS  23          2HB       HIS  23  -1.732  -6.224  -0.694
  148    HB3  HIS  23          1HB       HIS  23  -1.231  -4.542  -0.723
  149    HD1  HIS  23          1HD       HIS  23  -1.959  -7.447  -2.954
  150    HD2  HIS  23          2HD       HIS  23  -0.616  -3.528  -3.249
  151    HE1  HIS  23          1HE       HIS  23  -2.186  -6.815  -5.370
  152    H    CYS  24           HN       CYS  24   0.826  -3.587   0.197
  153    HA   CYS  24           HA       CYS  24   2.267  -2.558  -1.966
  154    HB2  CYS  24          2HB       CYS  24   2.171  -1.628   0.897
  155    HB3  CYS  24          1HB       CYS  24   2.915  -0.719  -0.413
  156    H    LYS  25           HN       LYS  25   3.344  -4.253   0.887
  157    HA   LYS  25           HA       LYS  25   6.112  -3.661   0.497
  158    HB2  LYS  25          2HB       LYS  25   4.701  -5.706   2.195
  159    HB3  LYS  25          1HB       LYS  25   6.442  -5.464   2.202
  160    HG2  LYS  25          2HG       LYS  25   6.208  -3.248   3.033
  161    HG3  LYS  25          1HG       LYS  25   4.459  -3.297   2.808
  162    HD2  LYS  25          2HD       LYS  25   4.260  -5.006   4.502
  163    HD3  LYS  25          1HD       LYS  25   6.016  -5.060   4.695
  164    HE2  LYS  25          2HE       LYS  25   6.038  -2.798   5.512
  165    HE3  LYS  25          1HE       LYS  25   4.327  -2.613   5.150
  166    HZ1  LYS  25          1HZ       LYS  25   3.764  -4.161   6.773
  167    HZ2  LYS  25          2HZ       LYS  25   4.770  -3.036   7.514
  168    HZ3  LYS  25          3HZ       LYS  25   5.366  -4.579   7.108
  169    H    ASN  26           HN       ASN  26   4.063  -6.467  -0.191
  170    HA   ASN  26           HA       ASN  26   6.331  -7.880  -1.304
  171    HB2  ASN  26          2HB       ASN  26   3.444  -8.693  -1.048
  172    HB3  ASN  26          1HB       ASN  26   4.656  -9.695  -1.834
  173   HD21  ASN  26          1HD2      ASN  26   3.459  -8.472   1.156
  174   HD22  ASN  26          2HD2      ASN  26   4.404  -9.477   2.186
  175    H    LYS  27           HN       LYS  27   3.266  -6.636  -2.634
  176    HA   LYS  27           HA       LYS  27   3.989  -7.563  -5.267
  177    HB2  LYS  27          2HB       LYS  27   1.665  -5.863  -4.379
  178    HB3  LYS  27          1HB       LYS  27   1.858  -6.609  -5.954
  179    HG2  LYS  27          2HG       LYS  27   1.575  -8.086  -3.348
  180    HG3  LYS  27          1HG       LYS  27   0.283  -7.819  -4.516
  181    HD2  LYS  27          2HD       LYS  27   1.619  -9.070  -6.196
  182    HD3  LYS  27          1HD       LYS  27   2.816  -9.404  -4.942
  183    HE2  LYS  27          2HE       LYS  27   1.117 -10.564  -3.616
  184    HE3  LYS  27          1HE       LYS  27  -0.086 -10.218  -4.854
  185    HZ1  LYS  27          1HZ       LYS  27   2.346 -11.862  -5.225
  186    HZ2  LYS  27          2HZ       LYS  27   1.209 -11.535  -6.411
  187    HZ3  LYS  27          3HZ       LYS  27   0.776 -12.458  -5.060
  188    H    GLU  28           HN       GLU  28   3.441  -4.389  -3.774
  189    HA   GLU  28           HA       GLU  28   4.396  -3.068  -6.153
  190    HB2  GLU  28          2HB       GLU  28   3.652  -1.944  -3.452
  191    HB3  GLU  28          1HB       GLU  28   4.159  -0.965  -4.815
  192    HG2  GLU  28          2HG       GLU  28   1.732  -2.752  -4.787
  193    HG3  GLU  28          1HG       GLU  28   1.717  -1.014  -4.508
  194    H    HIS  29           HN       HIS  29   5.811  -4.333  -3.359
  195    HA   HIS  29           HA       HIS  29   7.961  -4.550  -2.644
  196    HB2  HIS  29          2HB       HIS  29   8.398  -4.959  -5.081
  197    HB3  HIS  29          1HB       HIS  29   8.648  -3.242  -5.313
  198    HD1  HIS  29          1HD       HIS  29  10.279  -6.185  -3.503
  199    HD2  HIS  29          2HD       HIS  29  11.196  -2.445  -5.056
  200    HE1  HIS  29          1HE       HIS  29  12.792  -5.960  -3.349
  201    H    LEU  30           HN       LEU  30   6.397  -2.290  -1.918
  202    HA   LEU  30           HA       LEU  30   8.375  -0.143  -1.669
  203    HB2  LEU  30          2HB       LEU  30   5.381  -0.061  -1.361
  204    HB3  LEU  30          1HB       LEU  30   6.449   1.312  -1.147
  205    HG   LEU  30           HG       LEU  30   5.980  -0.199  -3.710
  206   HD11  LEU  30          1HD1      LEU  30   5.019   1.927  -4.474
  207   HD12  LEU  30          2HD1      LEU  30   5.178   2.562  -2.831
  208   HD13  LEU  30          3HD1      LEU  30   4.129   1.185  -3.151
  209   HD21  LEU  30          1HD2      LEU  30   8.276   0.532  -3.647
  210   HD22  LEU  30          2HD2      LEU  30   7.784   2.134  -3.114
  211   HD23  LEU  30          3HD2      LEU  30   7.366   1.582  -4.734
  212    H    ARG  31           HN       ARG  31   7.419   1.251   0.436
  213    HA   ARG  31           HA       ARG  31   8.576  -0.190   2.572
  214    HB2  ARG  31          2HB       ARG  31   9.049   2.133   2.419
  215    HB3  ARG  31          1HB       ARG  31   7.343   2.547   2.392
  216    HG2  ARG  31          2HG       ARG  31   7.115   1.855   4.700
  217    HG3  ARG  31          1HG       ARG  31   8.805   1.367   4.745
  218    HD2  ARG  31          2HD       ARG  31   9.479   3.691   4.317
  219    HD3  ARG  31          1HD       ARG  31   7.786   4.157   4.233
  220    HE   ARG  31           HE       ARG  31   7.790   3.141   6.623
  221   HH11  ARG  31          1HH1      ARG  31  10.491   5.050   5.262
  222   HH12  ARG  31          2HH1      ARG  31  10.795   5.842   6.734
  223   HH21  ARG  31          1HH2      ARG  31   8.305   4.252   8.637
  224   HH22  ARG  31          2HH2      ARG  31   9.571   5.394   8.636
  225    H    SER  32           HN       SER  32   5.283   1.204   2.211
  226    HA   SER  32           HA       SER  32   4.151  -0.964   3.751
  227    HB2  SER  32          2HB       SER  32   4.037   1.873   4.836
  228    HB3  SER  32          1HB       SER  32   3.224   0.468   5.523
  229    HG   SER  32           HG       SER  32   5.727  -0.197   5.272
  230    H    GLY  33           HN       GLY  33   1.650  -0.274   4.149
  231    HA2  GLY  33          2HA       GLY  33   0.746   1.322   1.876
  232    HA3  GLY  33          1HA       GLY  33   0.137  -0.319   2.077
  233    H    ARG  34           HN       ARG  34  -0.992   2.551   2.293
  234    HA   ARG  34           HA       ARG  34  -2.398   2.048   4.817
  235    HB2  ARG  34          2HB       ARG  34  -1.697   4.759   3.679
  236    HB3  ARG  34          1HB       ARG  34  -2.575   4.455   5.168
  237    HG2  ARG  34          2HG       ARG  34  -0.526   3.368   6.072
  238    HG3  ARG  34          1HG       ARG  34   0.322   3.859   4.604
  239    HD2  ARG  34          2HD       ARG  34  -0.978   5.660   6.638
  240    HD3  ARG  34          1HD       ARG  34   0.749   5.461   6.347
  241    HE   ARG  34           HE       ARG  34   0.117   6.347   3.992
  242   HH11  ARG  34          1HH1      ARG  34  -1.294   7.467   7.063
  243   HH12  ARG  34          2HH1      ARG  34  -1.708   8.997   6.407
  244   HH21  ARG  34          1HH2      ARG  34  -0.497   8.408   3.181
  245   HH22  ARG  34          2HH2      ARG  34  -1.221   9.551   4.245
  246    H    CYS  35           HN       CYS  35  -4.589   2.321   4.721
  247    HA   CYS  35           HA       CYS  35  -5.682   2.393   2.034
  248    HB2  CYS  35          2HB       CYS  35  -7.070   1.781   4.635
  249    HB3  CYS  35          1HB       CYS  35  -7.613   1.398   3.004
  250    H    ARG  36           HN       ARG  36  -6.951   3.985   1.340
  251    HA   ARG  36           HA       ARG  36  -7.314   6.368   2.941
  252    HB2  ARG  36          2HB       ARG  36  -7.523   5.599   0.112
  253    HB3  ARG  36          1HB       ARG  36  -8.587   6.879   0.645
  254    HG2  ARG  36          2HG       ARG  36  -5.630   6.960   1.135
  255    HG3  ARG  36          1HG       ARG  36  -6.382   7.595  -0.333
  256    HD2  ARG  36          2HD       ARG  36  -6.942   8.434   2.491
  257    HD3  ARG  36          1HD       ARG  36  -6.132   9.394   1.247
  258    HE   ARG  36           HE       ARG  36  -8.416   8.924   0.034
  259   HH11  ARG  36          1HH1      ARG  36  -7.871   9.883   3.403
  260   HH12  ARG  36          2HH1      ARG  36  -9.415  10.548   3.596
  261   HH21  ARG  36          1HH2      ARG  36 -10.483   9.931   0.257
  262   HH22  ARG  36          2HH2      ARG  36 -10.923  10.663   1.723
  263    H    ASP  37           HN       ASP  37  -9.483   7.487   2.722
  264    HA   ASP  37           HA       ASP  37 -11.579   5.925   3.875
  265    HB2  ASP  37          2HB       ASP  37 -11.653   8.725   2.699
  266    HB3  ASP  37          1HB       ASP  37 -13.042   7.969   3.460
  267    H    ASP  38           HN       ASP  38 -10.756   6.862   0.701
  268    HA   ASP  38           HA       ASP  38 -13.180   5.950  -0.548
  269    HB2  ASP  38          2HB       ASP  38 -11.863   6.349  -2.668
  270    HB3  ASP  38          1HB       ASP  38 -12.046   7.756  -1.630
  271    H    PHE  39           HN       PHE  39 -10.982   4.323   1.003
  272    HA   PHE  39           HA       PHE  39 -10.526   2.181   1.289
  273    HB2  PHE  39          2HB       PHE  39 -12.465   1.703  -0.965
  274    HB3  PHE  39          1HB       PHE  39 -11.719   0.428  -0.014
  275    HD1  PHE  39          1HD       PHE  39 -12.262   0.211   2.398
  276    HD2  PHE  39          2HD       PHE  39 -14.300   2.954  -0.143
  277    HE1  PHE  39          1HE       PHE  39 -14.080   0.381   4.038
  278    HE2  PHE  39          2HE       PHE  39 -16.120   3.128   1.496
  279    HZ   PHE  39           HZ       PHE  39 -16.011   1.838   3.593
  280    H    ARG  40           HN       ARG  40  -9.344   3.816  -1.217
  281    HA   ARG  40           HA       ARG  40  -8.129   1.535  -2.517
  282    HB2  ARG  40          2HB       ARG  40  -8.938   3.531  -3.781
  283    HB3  ARG  40          1HB       ARG  40  -7.690   4.481  -3.002
  284    HG2  ARG  40          2HG       ARG  40  -6.988   3.893  -5.233
  285    HG3  ARG  40          1HG       ARG  40  -5.990   3.072  -4.031
  286    HD2  ARG  40          2HD       ARG  40  -6.596   1.625  -5.930
  287    HD3  ARG  40          1HD       ARG  40  -7.169   0.998  -4.388
  288    HE   ARG  40           HE       ARG  40  -9.281   2.357  -5.230
  289   HH11  ARG  40          1HH1      ARG  40  -7.228   0.107  -7.090
  290   HH12  ARG  40          2HH1      ARG  40  -8.540  -0.541  -7.959
  291   HH21  ARG  40          1HH2      ARG  40 -11.036   1.427  -6.412
  292   HH22  ARG  40          2HH2      ARG  40 -10.740   0.211  -7.574
  293    H    CYS  41           HN       CYS  41  -5.851   1.230  -2.609
  294    HA   CYS  41           HA       CYS  41  -4.564   1.903  -0.123
  295    HB2  CYS  41          2HB       CYS  41  -4.040  -0.128  -2.242
  296    HB3  CYS  41          1HB       CYS  41  -2.853   0.236  -0.992
  297    H    TRP  42           HN       TRP  42  -3.199   3.415   0.081
  298    HA   TRP  42           HA       TRP  42  -1.567   4.210  -2.195
  299    HB2  TRP  42          2HB       TRP  42  -2.893   5.714  -0.072
  300    HB3  TRP  42          1HB       TRP  42  -1.182   6.090  -0.168
  301    HD1  TRP  42          1HD       TRP  42  -0.331   7.234  -2.500
  302    HE1  TRP  42          1HE       TRP  42  -1.600   8.644  -4.246
  303    HE3  TRP  42          3HE       TRP  42  -5.112   6.001  -1.227
  304    HZ2  TRP  42          2HZ       TRP  42  -4.257   9.185  -4.960
  305    HZ3  TRP  42          3HZ       TRP  42  -6.964   7.016  -2.486
  306    HH2  TRP  42          2HH       TRP  42  -6.529   8.578  -4.323
  307    H    CYS  43           HN       CYS  43   0.398   3.528  -2.105
  308    HA   CYS  43           HA       CYS  43   1.329   2.209   0.292
  309    HB2  CYS  43          2HB       CYS  43   2.460   2.261  -2.483
  310    HB3  CYS  43          1HB       CYS  43   2.962   1.198  -1.171
  311    H    THR  44           HN       THR  44   2.689   3.145   1.558
  312    HA   THR  44           HA       THR  44   3.933   5.658   0.946
  313    HB   THR  44           HB       THR  44   4.385   3.840   3.325
  314    HG1  THR  44          1HG       THR  44   2.167   5.592   2.792
  315   HG21  THR  44          1HG2      THR  44   4.543   6.849   3.006
  316   HG22  THR  44          2HG2      THR  44   5.913   5.743   3.151
  317   HG23  THR  44          3HG2      THR  44   4.813   5.965   4.508
  318    H    LYS  45           HN       LYS  45   6.019   5.802   0.200
  319    HA   LYS  45           HA       LYS  45   7.716   3.414   0.356
  320    HB2  LYS  45          2HB       LYS  45   8.513   3.804  -1.892
  321    HB3  LYS  45          1HB       LYS  45   6.764   3.612  -1.916
  322    HG2  LYS  45          2HG       LYS  45   6.518   6.050  -2.058
  323    HG3  LYS  45          1HG       LYS  45   8.273   6.210  -2.062
  324    HD2  LYS  45          2HD       LYS  45   6.627   4.772  -4.141
  325    HD3  LYS  45          1HD       LYS  45   7.311   6.383  -4.317
  326    HE2  LYS  45          2HE       LYS  45   8.875   3.813  -3.966
  327    HE3  LYS  45          1HE       LYS  45   8.650   4.704  -5.463
  328    HZ1  LYS  45          1HZ       LYS  45   9.843   6.580  -4.457
  329    HZ2  LYS  45          2HZ       LYS  45  10.768   5.190  -4.585
  330    HZ3  LYS  45          3HZ       LYS  45  10.191   5.647  -3.080
  331    H    ASN  46           HN       ASN  46   9.967   3.920   0.218
  332    HA   ASN  46           HA       ASN  46  10.571   6.495   1.410
  333    HB2  ASN  46          2HB       ASN  46  12.474   4.208   0.789
  334    HB3  ASN  46          1HB       ASN  46  12.832   5.624   1.761
  335   HD21  ASN  46          1HD2      ASN  46  11.604   2.462   1.729
  336   HD22  ASN  46          2HD2      ASN  46  11.201   2.361   3.400
  337    H    CYS  47           HN       CYS  47  12.122   7.895   0.464
  338    HA   CYS  47           HA       CYS  47  12.811   7.395  -2.304
  339    HB2  CYS  47          2HB       CYS  47  11.302   9.841  -1.349
  340    HB3  CYS  47          1HB       CYS  47  12.049   9.700  -2.937
  Start of MODEL    2
    1    H1   LYS   1          1HT       LYS   1  13.754   8.849   1.385
    2    H2   LYS   1          2HT       LYS   1  14.401  10.356   0.942
    3    H3   LYS   1          3HT       LYS   1  13.490   9.464  -0.173
    4    HA   LYS   1           HA       LYS   1  12.442  10.737   2.255
    5    HB2  LYS   1          2HB       LYS   1  13.041  12.186   0.277
    6    HB3  LYS   1          1HB       LYS   1  11.994  11.191  -0.704
    7    HG2  LYS   1          2HG       LYS   1  10.069  11.919   0.649
    8    HG3  LYS   1          1HG       LYS   1  11.151  12.966   1.578
    9    HD2  LYS   1          2HD       LYS   1  11.782  14.130  -0.480
   10    HD3  LYS   1          1HD       LYS   1  10.692  13.093  -1.395
   11    HE2  LYS   1          2HE       LYS   1   8.801  13.974  -0.097
   12    HE3  LYS   1          1HE       LYS   1   9.911  15.036   0.771
   13    HZ1  LYS   1          1HZ       LYS   1   9.413  15.070  -2.149
   14    HZ2  LYS   1          2HZ       LYS   1  10.498  16.060  -1.343
   15    HZ3  LYS   1          3HZ       LYS   1   8.841  16.212  -1.050
   16    H    THR   2           HN       THR   2  10.100  10.403   2.391
   17    HA   THR   2           HA       THR   2   9.296   8.013   0.978
   18    HB   THR   2           HB       THR   2   7.551   7.938   2.832
   19    HG1  THR   2          1HG       THR   2   8.454   8.804   4.836
   20   HG21  THR   2          1HG2      THR   2   9.079   6.588   4.237
   21   HG22  THR   2          2HG2      THR   2  10.449   7.277   3.360
   22   HG23  THR   2          3HG2      THR   2   9.279   6.267   2.512
   23    H    CYS   3           HN       CYS   3   7.833   8.193  -0.354
   24    HA   CYS   3           HA       CYS   3   6.044  10.500  -0.327
   25    HB2  CYS   3          2HB       CYS   3   6.133  10.184  -2.909
   26    HB3  CYS   3          1HB       CYS   3   7.486  10.991  -2.120
   27    H    GLU   4           HN       GLU   4   3.985   9.913  -1.721
   28    HA   GLU   4           HA       GLU   4   3.423   7.100  -1.171
   29    HB2  GLU   4          2HB       GLU   4   2.727   8.586   0.703
   30    HB3  GLU   4          1HB       GLU   4   1.618   9.380  -0.399
   31    HG2  GLU   4          2HG       GLU   4   0.271   7.459  -0.570
   32    HG3  GLU   4          1HG       GLU   4   1.507   6.438   0.170
   33    H    ASN   5           HN       ASN   5   2.166   6.110  -2.623
   34    HA   ASN   5           HA       ASN   5   0.929   7.685  -4.769
   35    HB2  ASN   5          2HB       ASN   5   3.341   7.068  -5.353
   36    HB3  ASN   5          1HB       ASN   5   2.846   5.388  -5.268
   37   HD21  ASN   5          1HD2      ASN   5   1.466   4.554  -6.950
   38   HD22  ASN   5          2HD2      ASN   5   1.284   5.412  -8.424
   39    H    LEU   6           HN       LEU   6  -0.553   6.304  -5.982
   40    HA   LEU   6           HA       LEU   6  -1.960   4.413  -4.459
   41    HB2  LEU   6          2HB       LEU   6  -1.964   5.140  -7.363
   42    HB3  LEU   6          1HB       LEU   6  -2.945   3.827  -6.754
   43    HG   LEU   6           HG       LEU   6  -3.164   6.662  -5.735
   44   HD11  LEU   6          1HD1      LEU   6  -5.184   6.765  -7.067
   45   HD12  LEU   6          2HD1      LEU   6  -4.842   5.165  -7.730
   46   HD13  LEU   6          3HD1      LEU   6  -3.778   6.528  -8.114
   47   HD21  LEU   6          1HD2      LEU   6  -3.921   4.936  -4.196
   48   HD22  LEU   6          2HD2      LEU   6  -4.905   4.228  -5.474
   49   HD23  LEU   6          3HD2      LEU   6  -5.280   5.838  -4.863
   50    H    ALA   7           HN       ALA   7  -2.010   2.264  -4.511
   51    HA   ALA   7           HA       ALA   7   0.334   0.857  -5.335
   52    HB1  ALA   7          1HB       ALA   7  -0.879  -1.128  -4.526
   53    HB2  ALA   7          2HB       ALA   7  -2.336  -0.140  -4.349
   54    HB3  ALA   7          3HB       ALA   7  -0.923   0.188  -3.351
   55    H    ASP   8           HN       ASP   8   0.692   0.351  -7.370
   56    HA   ASP   8           HA       ASP   8  -1.433   0.461  -9.305
   57    HB2  ASP   8          2HB       ASP   8   0.786   1.410  -9.808
   58    HB3  ASP   8          1HB       ASP   8   1.490  -0.197  -9.696
   59    H    THR   9           HN       THR   9   0.743  -2.040  -8.027
   60    HA   THR   9           HA       THR   9  -0.252  -4.110  -9.613
   61    HB   THR   9           HB       THR   9   1.026  -4.349  -6.887
   62    HG1  THR   9          1HG       THR   9   2.960  -4.038  -7.895
   63   HG21  THR   9          1HG2      THR   9   1.993  -6.368  -7.871
   64   HG22  THR   9          2HG2      THR   9   1.167  -6.008  -9.393
   65   HG23  THR   9          3HG2      THR   9   0.224  -6.415  -7.952
   66    H    TYR  10           HN       TYR  10  -1.208  -2.774  -6.497
   67    HA   TYR  10           HA       TYR  10  -3.091  -4.890  -5.981
   68    HB2  TYR  10          2HB       TYR  10  -1.893  -3.633  -4.140
   69    HB3  TYR  10          1HB       TYR  10  -2.820  -2.212  -4.585
   70    HD1  TYR  10          1HD       TYR  10  -5.272  -2.161  -4.148
   71    HD2  TYR  10          2HD       TYR  10  -2.838  -5.365  -2.786
   72    HE1  TYR  10          1HE       TYR  10  -7.019  -2.801  -2.574
   73    HE2  TYR  10          2HE       TYR  10  -4.590  -6.025  -1.194
   74    HH   TYR  10           HH       TYR  10  -7.756  -4.702  -1.346
   75    H    LYS  11           HN       LYS  11  -4.462  -4.917  -7.613
   76    HA   LYS  11           HA       LYS  11  -5.831  -2.504  -8.442
   77    HB2  LYS  11          2HB       LYS  11  -6.811  -4.103 -10.205
   78    HB3  LYS  11          1HB       LYS  11  -5.093  -3.735 -10.312
   79    HG2  LYS  11          2HG       LYS  11  -4.530  -5.836  -9.273
   80    HG3  LYS  11          1HG       LYS  11  -6.234  -6.184  -8.998
   81    HD2  LYS  11          2HD       LYS  11  -6.595  -6.333 -11.402
   82    HD3  LYS  11          1HD       LYS  11  -4.901  -5.919 -11.687
   83    HE2  LYS  11          2HE       LYS  11  -5.356  -8.363 -11.823
   84    HE3  LYS  11          1HE       LYS  11  -4.152  -7.938 -10.615
   85    HZ1  LYS  11          1HZ       LYS  11  -5.854  -8.161  -8.898
   86    HZ2  LYS  11          2HZ       LYS  11  -5.717  -9.584  -9.768
   87    HZ3  LYS  11          3HZ       LYS  11  -7.014  -8.550 -10.060
   88    H    GLY  12           HN       GLY  12  -7.047  -2.205  -6.522
   89    HA2  GLY  12          2HA       GLY  12  -9.660  -2.862  -6.678
   90    HA3  GLY  12          1HA       GLY  12  -8.954  -4.173  -5.739
   91    HA   PRO  13           HA       PRO  13  -9.669  -0.631  -2.858
   92    HB2  PRO  13          2HB       PRO  13 -11.928  -1.923  -1.668
   93    HB3  PRO  13          1HB       PRO  13 -11.918  -0.431  -2.604
   94    HG2  PRO  13          2HG       PRO  13 -13.104  -2.796  -3.427
   95    HG3  PRO  13          1HG       PRO  13 -12.602  -1.487  -4.509
   96    HD2  PRO  13          2HD       PRO  13 -11.203  -4.048  -3.851
   97    HD3  PRO  13          1HD       PRO  13 -11.332  -3.198  -5.408
   98    H    CYS  14           HN       CYS  14  -9.372  -0.701  -0.598
   99    HA   CYS  14           HA       CYS  14  -8.046  -3.085   0.334
  100    HB2  CYS  14          2HB       CYS  14  -6.940  -0.988   0.795
  101    HB3  CYS  14          1HB       CYS  14  -8.393  -0.344   1.558
  102    H    PHE  15           HN       PHE  15  -9.576  -4.571   0.777
  103    HA   PHE  15           HA       PHE  15 -11.881  -3.934   2.372
  104    HB2  PHE  15          2HB       PHE  15 -10.756  -6.632   1.579
  105    HB3  PHE  15          1HB       PHE  15 -12.333  -6.356   2.309
  106    HD1  PHE  15          1HD       PHE  15 -13.988  -4.907   1.036
  107    HD2  PHE  15          2HD       PHE  15 -10.491  -6.549  -0.743
  108    HE1  PHE  15          1HE       PHE  15 -14.976  -4.595  -1.188
  109    HE2  PHE  15          2HE       PHE  15 -11.462  -6.235  -2.960
  110    HZ   PHE  15           HZ       PHE  15 -13.712  -5.256  -3.195
  111    H    THR  16           HN       THR  16  -8.741  -5.341   2.830
  112    HA   THR  16           HA       THR  16  -9.089  -5.134   5.716
  113    HB   THR  16           HB       THR  16  -7.597  -7.341   4.263
  114    HG1  THR  16          1HG       THR  16 -10.199  -7.087   5.261
  115   HG21  THR  16          1HG2      THR  16  -8.333  -7.001   7.182
  116   HG22  THR  16          2HG2      THR  16  -6.714  -6.826   6.502
  117   HG23  THR  16          3HG2      THR  16  -7.512  -8.397   6.487
  118    H    THR  17           HN       THR  17  -7.563  -3.818   6.541
  119    HA   THR  17           HA       THR  17  -5.779  -2.444   4.914
  120    HB   THR  17           HB       THR  17  -5.781  -2.679   7.932
  121    HG1  THR  17          1HG       THR  17  -7.378  -1.373   6.059
  122   HG21  THR  17          1HG2      THR  17  -4.739  -0.489   6.107
  123   HG22  THR  17          2HG2      THR  17  -3.733  -1.619   7.013
  124   HG23  THR  17          3HG2      THR  17  -4.735  -0.451   7.872
  125    H    GLY  18           HN       GLY  18  -5.313  -5.189   7.038
  126    HA2  GLY  18          2HA       GLY  18  -2.521  -5.313   7.048
  127    HA3  GLY  18          1HA       GLY  18  -3.593  -6.691   7.256
  128    H    SER  19           HN       SER  19  -4.863  -6.682   4.799
  129    HA   SER  19           HA       SER  19  -3.102  -8.147   3.200
  130    HB2  SER  19          2HB       SER  19  -5.709  -6.852   2.407
  131    HB3  SER  19          1HB       SER  19  -4.960  -8.269   1.670
  132    HG   SER  19           HG       SER  19  -5.117  -9.172   3.907
  133    H    CYS  20           HN       CYS  20  -4.356  -4.833   2.877
  134    HA   CYS  20           HA       CYS  20  -3.106  -4.229   0.404
  135    HB2  CYS  20          2HB       CYS  20  -4.993  -2.912   1.237
  136    HB3  CYS  20          1HB       CYS  20  -4.053  -2.429   2.645
  137    H    ASP  21           HN       ASP  21  -2.280  -3.544   3.750
  138    HA   ASP  21           HA       ASP  21   0.065  -2.113   3.396
  139    HB2  ASP  21          2HB       ASP  21  -1.144  -2.202   5.494
  140    HB3  ASP  21          1HB       ASP  21  -0.812  -3.918   5.643
  141    H    ASP  22           HN       ASP  22  -0.479  -5.547   3.836
  142    HA   ASP  22           HA       ASP  22   2.174  -6.453   3.964
  143    HB2  ASP  22          2HB       ASP  22   0.167  -7.783   4.563
  144    HB3  ASP  22          1HB       ASP  22  -0.245  -7.885   2.860
  145    H    HIS  23           HN       HIS  23  -0.045  -6.089   1.253
  146    HA   HIS  23           HA       HIS  23   1.521  -7.267  -0.734
  147    HB2  HIS  23          2HB       HIS  23  -0.882  -6.849  -0.999
  148    HB3  HIS  23          1HB       HIS  23  -0.606  -5.118  -0.973
  149    HD1  HIS  23          1HD       HIS  23  -0.498  -8.098  -3.239
  150    HD2  HIS  23          2HD       HIS  23   0.483  -4.057  -3.344
  151    HE1  HIS  23          1HE       HIS  23  -0.192  -7.513  -5.670
  152    H    CYS  24           HN       CYS  24   1.219  -3.842   0.184
  153    HA   CYS  24           HA       CYS  24   3.034  -3.074  -1.825
  154    HB2  CYS  24          2HB       CYS  24   1.933  -1.540   0.517
  155    HB3  CYS  24          1HB       CYS  24   3.007  -0.835  -0.691
  156    H    LYS  25           HN       LYS  25   3.510  -3.951   1.535
  157    HA   LYS  25           HA       LYS  25   6.196  -2.936   1.419
  158    HB2  LYS  25          2HB       LYS  25   6.530  -3.940   3.628
  159    HB3  LYS  25          1HB       LYS  25   5.165  -2.806   3.523
  160    HG2  LYS  25          2HG       LYS  25   3.647  -4.731   3.485
  161    HG3  LYS  25          1HG       LYS  25   5.030  -5.813   3.637
  162    HD2  LYS  25          2HD       LYS  25   3.836  -5.361   5.798
  163    HD3  LYS  25          1HD       LYS  25   5.551  -4.949   5.824
  164    HE2  LYS  25          2HE       LYS  25   5.073  -2.613   5.630
  165    HE3  LYS  25          1HE       LYS  25   3.384  -2.931   5.247
  166    HZ1  LYS  25          1HZ       LYS  25   3.824  -2.157   7.558
  167    HZ2  LYS  25          2HZ       LYS  25   4.551  -3.664   7.887
  168    HZ3  LYS  25          3HZ       LYS  25   2.938  -3.554   7.381
  169    H    ASN  26           HN       ASN  26   4.739  -6.027   1.038
  170    HA   ASN  26           HA       ASN  26   7.390  -7.237   0.823
  171    HB2  ASN  26          2HB       ASN  26   4.690  -8.558   0.570
  172    HB3  ASN  26          1HB       ASN  26   6.223  -9.396   0.355
  173   HD21  ASN  26          1HD2      ASN  26   4.001  -8.064   2.558
  174   HD22  ASN  26          2HD2      ASN  26   4.775  -8.600   4.003
  175    H    LYS  27           HN       LYS  27   4.580  -7.135  -1.373
  176    HA   LYS  27           HA       LYS  27   6.082  -8.152  -3.538
  177    HB2  LYS  27          2HB       LYS  27   3.740  -8.528  -3.590
  178    HB3  LYS  27          1HB       LYS  27   3.382  -6.829  -3.361
  179    HG2  LYS  27          2HG       LYS  27   2.904  -7.564  -5.650
  180    HG3  LYS  27          1HG       LYS  27   4.150  -6.322  -5.602
  181    HD2  LYS  27          2HD       LYS  27   5.859  -8.142  -5.771
  182    HD3  LYS  27          1HD       LYS  27   4.538  -9.288  -6.013
  183    HE2  LYS  27          2HE       LYS  27   5.485  -8.599  -8.148
  184    HE3  LYS  27          1HE       LYS  27   3.822  -8.037  -7.989
  185    HZ1  LYS  27          1HZ       LYS  27   5.220  -6.320  -8.911
  186    HZ2  LYS  27          2HZ       LYS  27   6.274  -6.367  -7.603
  187    HZ3  LYS  27          3HZ       LYS  27   4.708  -5.803  -7.393
  188    H    GLU  28           HN       GLU  28   5.001  -4.916  -2.756
  189    HA   GLU  28           HA       GLU  28   6.497  -3.906  -5.027
  190    HB2  GLU  28          2HB       GLU  28   4.815  -2.447  -3.003
  191    HB3  GLU  28          1HB       GLU  28   5.579  -1.700  -4.404
  192    HG2  GLU  28          2HG       GLU  28   3.472  -3.843  -4.439
  193    HG3  GLU  28          1HG       GLU  28   3.253  -2.141  -4.857
  194    H    HIS  29           HN       HIS  29   7.148  -4.583  -1.867
  195    HA   HIS  29           HA       HIS  29   8.882  -4.262  -0.450
  196    HB2  HIS  29          2HB       HIS  29  10.124  -4.871  -2.612
  197    HB3  HIS  29          1HB       HIS  29  10.406  -3.152  -2.831
  198    HD1  HIS  29          1HD       HIS  29  12.316  -2.096  -1.415
  199    HD2  HIS  29          2HD       HIS  29  11.525  -6.069  -0.499
  200    HE1  HIS  29          1HE       HIS  29  14.229  -2.867   0.040
  201    H    LEU  30           HN       LEU  30   6.947  -2.169  -0.808
  202    HA   LEU  30           HA       LEU  30   8.389   0.329  -0.525
  203    HB2  LEU  30          2HB       LEU  30   5.437  -0.230  -0.209
  204    HB3  LEU  30          1HB       LEU  30   6.183   1.346  -0.343
  205    HG   LEU  30           HG       LEU  30   5.948  -0.745  -2.491
  206   HD11  LEU  30          1HD1      LEU  30   4.739   1.993  -2.223
  207   HD12  LEU  30          2HD1      LEU  30   3.898   0.446  -2.116
  208   HD13  LEU  30          3HD1      LEU  30   4.615   0.957  -3.642
  209   HD21  LEU  30          1HD2      LEU  30   7.337   1.924  -2.587
  210   HD22  LEU  30          2HD2      LEU  30   6.966   0.914  -3.983
  211   HD23  LEU  30          3HD2      LEU  30   8.082   0.329  -2.745
  212    H    ARG  31           HN       ARG  31   7.313   1.707   1.379
  213    HA   ARG  31           HA       ARG  31   8.336   0.552   3.739
  214    HB2  ARG  31          2HB       ARG  31   8.412   2.958   3.360
  215    HB3  ARG  31          1HB       ARG  31   6.659   3.029   3.322
  216    HG2  ARG  31          2HG       ARG  31   6.566   2.393   5.671
  217    HG3  ARG  31          1HG       ARG  31   8.326   2.272   5.715
  218    HD2  ARG  31          2HD       ARG  31   8.501   4.639   5.141
  219    HD3  ARG  31          1HD       ARG  31   6.747   4.758   5.090
  220    HE   ARG  31           HE       ARG  31   6.750   4.196   7.454
  221   HH11  ARG  31          1HH1      ARG  31   9.831   5.360   6.101
  222   HH12  ARG  31          2HH1      ARG  31  10.302   6.153   7.535
  223   HH21  ARG  31          1HH2      ARG  31   7.487   5.262   9.431
  224   HH22  ARG  31          2HH2      ARG  31   8.994   6.094   9.434
  225    H    SER  32           HN       SER  32   5.009   1.473   2.827
  226    HA   SER  32           HA       SER  32   3.907  -0.804   4.150
  227    HB2  SER  32          2HB       SER  32   3.402   1.964   5.296
  228    HB3  SER  32          1HB       SER  32   2.528   0.503   5.748
  229    HG   SER  32           HG       SER  32   5.219   0.179   5.902
  230    H    GLY  33           HN       GLY  33   1.465  -0.672   3.994
  231    HA2  GLY  33          2HA       GLY  33   0.696   0.959   1.668
  232    HA3  GLY  33          1HA       GLY  33   0.112  -0.685   1.886
  233    H    ARG  34           HN       ARG  34  -1.010   2.295   2.049
  234    HA   ARG  34           HA       ARG  34  -2.379   1.826   4.578
  235    HB2  ARG  34          2HB       ARG  34  -1.691   4.461   3.275
  236    HB3  ARG  34          1HB       ARG  34  -2.653   4.283   4.728
  237    HG2  ARG  34          2HG       ARG  34   0.228   3.404   4.487
  238    HG3  ARG  34          1HG       ARG  34  -0.277   4.970   5.108
  239    HD2  ARG  34          2HD       ARG  34   0.187   3.532   6.976
  240    HD3  ARG  34          1HD       ARG  34  -1.549   3.782   6.894
  241    HE   ARG  34           HE       ARG  34  -0.816   1.412   5.526
  242   HH11  ARG  34          1HH1      ARG  34  -1.319   2.643   8.811
  243   HH12  ARG  34          2HH1      ARG  34  -1.584   1.093   9.466
  244   HH21  ARG  34          1HH2      ARG  34  -1.168  -0.643   6.449
  245   HH22  ARG  34          2HH2      ARG  34  -1.479  -0.806   8.131
  246    H    CYS  35           HN       CYS  35  -4.490   2.081   4.669
  247    HA   CYS  35           HA       CYS  35  -5.856   2.077   2.101
  248    HB2  CYS  35          2HB       CYS  35  -6.836   1.212   4.821
  249    HB3  CYS  35          1HB       CYS  35  -7.641   0.943   3.276
  250    H    ARG  36           HN       ARG  36  -6.685   3.896   1.558
  251    HA   ARG  36           HA       ARG  36  -7.086   6.059   3.353
  252    HB2  ARG  36          2HB       ARG  36  -7.590   5.570   0.462
  253    HB3  ARG  36          1HB       ARG  36  -8.291   6.973   1.243
  254    HG2  ARG  36          2HG       ARG  36  -5.351   6.363   1.293
  255    HG3  ARG  36          1HG       ARG  36  -6.128   7.375   0.070
  256    HD2  ARG  36          2HD       ARG  36  -6.020   7.854   3.037
  257    HD3  ARG  36          1HD       ARG  36  -5.261   8.801   1.755
  258    HE   ARG  36           HE       ARG  36  -7.861   8.919   1.070
  259   HH11  ARG  36          1HH1      ARG  36  -6.141   9.673   4.060
  260   HH12  ARG  36          2HH1      ARG  36  -7.361  10.701   4.652
  261   HH21  ARG  36          1HH2      ARG  36  -9.484  10.337   1.851
  262   HH22  ARG  36          2HH2      ARG  36  -9.323  11.085   3.373
  263    H    ASP  37           HN       ASP  37  -9.160   7.228   3.436
  264    HA   ASP  37           HA       ASP  37 -11.396   5.558   4.069
  265    HB2  ASP  37          2HB       ASP  37 -11.103   8.554   3.869
  266    HB3  ASP  37          1HB       ASP  37 -12.654   7.796   4.217
  267    H    ASP  38           HN       ASP  38 -10.157   6.756   1.313
  268    HA   ASP  38           HA       ASP  38 -12.524   6.777  -0.349
  269    HB2  ASP  38          2HB       ASP  38  -9.624   6.503  -1.188
  270    HB3  ASP  38          1HB       ASP  38 -10.971   7.061  -2.171
  271    H    PHE  39           HN       PHE  39 -10.664   4.529   1.194
  272    HA   PHE  39           HA       PHE  39 -10.421   2.378   1.276
  273    HB2  PHE  39          2HB       PHE  39 -12.796   2.307  -0.582
  274    HB3  PHE  39          1HB       PHE  39 -12.086   0.862   0.138
  275    HD1  PHE  39          1HD       PHE  39 -14.285   3.659   0.628
  276    HD2  PHE  39          2HD       PHE  39 -12.028   0.672   2.643
  277    HE1  PHE  39          1HE       PHE  39 -15.604   4.045   2.666
  278    HE2  PHE  39          2HE       PHE  39 -13.341   1.047   4.685
  279    HZ   PHE  39           HZ       PHE  39 -15.137   2.745   4.699
  280    H    ARG  40           HN       ARG  40  -9.438   3.993  -1.203
  281    HA   ARG  40           HA       ARG  40  -8.454   1.710  -2.717
  282    HB2  ARG  40          2HB       ARG  40  -9.233   3.895  -3.820
  283    HB3  ARG  40          1HB       ARG  40  -7.782   4.638  -3.155
  284    HG2  ARG  40          2HG       ARG  40  -7.358   4.088  -5.418
  285    HG3  ARG  40          1HG       ARG  40  -6.455   2.953  -4.414
  286    HD2  ARG  40          2HD       ARG  40  -8.249   1.284  -4.721
  287    HD3  ARG  40          1HD       ARG  40  -9.095   2.423  -5.769
  288    HE   ARG  40           HE       ARG  40  -6.429   1.944  -6.591
  289   HH11  ARG  40          1HH1      ARG  40  -9.744   0.690  -6.802
  290   HH12  ARG  40          2HH1      ARG  40  -9.443  -0.261  -8.175
  291   HH21  ARG  40          1HH2      ARG  40  -6.025   0.622  -8.496
  292   HH22  ARG  40          2HH2      ARG  40  -7.300  -0.273  -9.178
  293    H    CYS  41           HN       CYS  41  -6.057   1.495  -3.001
  294    HA   CYS  41           HA       CYS  41  -4.801   1.941  -0.446
  295    HB2  CYS  41          2HB       CYS  41  -4.218   0.093  -2.711
  296    HB3  CYS  41          1HB       CYS  41  -3.028   0.396  -1.448
  297    H    TRP  42           HN       TRP  42  -3.536   3.472  -0.063
  298    HA   TRP  42           HA       TRP  42  -1.826   4.575  -2.162
  299    HB2  TRP  42          2HB       TRP  42  -3.372   5.796   0.016
  300    HB3  TRP  42          1HB       TRP  42  -1.692   6.312  -0.023
  301    HD1  TRP  42          1HD       TRP  42  -0.904   7.771  -2.131
  302    HE1  TRP  42          1HE       TRP  42  -2.230   9.217  -3.791
  303    HE3  TRP  42          3HE       TRP  42  -5.589   5.871  -1.348
  304    HZ2  TRP  42          2HZ       TRP  42  -4.863   9.526  -4.651
  305    HZ3  TRP  42          3HZ       TRP  42  -7.467   6.819  -2.647
  306    HH2  TRP  42          2HH       TRP  42  -7.101   8.596  -4.261
  307    H    CYS  43           HN       CYS  43   0.127   3.795  -1.952
  308    HA   CYS  43           HA       CYS  43   0.879   2.812   0.681
  309    HB2  CYS  43          2HB       CYS  43   1.762   1.854  -2.041
  310    HB3  CYS  43          1HB       CYS  43   2.338   1.219  -0.497
  311    H    THR  44           HN       THR  44   2.668   3.466   1.606
  312    HA   THR  44           HA       THR  44   3.909   5.824   0.599
  313    HB   THR  44           HB       THR  44   4.621   4.214   3.056
  314    HG1  THR  44          1HG       THR  44   2.477   6.132   2.692
  315   HG21  THR  44          1HG2      THR  44   5.267   6.403   3.937
  316   HG22  THR  44          2HG2      THR  44   4.773   7.172   2.428
  317   HG23  THR  44          3HG2      THR  44   6.141   6.056   2.445
  318    H    LYS  45           HN       LYS  45   5.635   5.767  -0.653
  319    HA   LYS  45           HA       LYS  45   7.201   3.308  -0.856
  320    HB2  LYS  45          2HB       LYS  45   7.636   3.978  -3.186
  321    HB3  LYS  45          1HB       LYS  45   5.923   3.778  -2.880
  322    HG2  LYS  45          2HG       LYS  45   5.750   6.244  -2.637
  323    HG3  LYS  45          1HG       LYS  45   7.437   6.361  -3.108
  324    HD2  LYS  45          2HD       LYS  45   5.241   5.171  -4.820
  325    HD3  LYS  45          1HD       LYS  45   5.830   6.818  -4.958
  326    HE2  LYS  45          2HE       LYS  45   6.897   5.636  -6.689
  327    HE3  LYS  45          1HE       LYS  45   8.120   5.791  -5.441
  328    HZ1  LYS  45          1HZ       LYS  45   6.462   3.354  -5.836
  329    HZ2  LYS  45          2HZ       LYS  45   7.876   3.463  -4.891
  330    HZ3  LYS  45          3HZ       LYS  45   7.944   3.565  -6.539
  331    H    ASN  46           HN       ASN  46   9.459   3.664  -1.510
  332    HA   ASN  46           HA       ASN  46  10.589   5.884   0.018
  333    HB2  ASN  46          2HB       ASN  46  11.828   3.298  -0.951
  334    HB3  ASN  46          1HB       ASN  46  12.670   4.536  -0.034
  335   HD21  ASN  46          1HD2      ASN  46  12.014   1.701   0.501
  336   HD22  ASN  46          2HD2      ASN  46  11.263   1.696   2.042
  337    H    CYS  47           HN       CYS  47  11.402   7.513  -1.067
  338    HA   CYS  47           HA       CYS  47  12.469   7.024  -3.705
  339    HB2  CYS  47          2HB       CYS  47  11.581   9.412  -4.226
  340    HB3  CYS  47          1HB       CYS  47  10.466   8.055  -4.294
  Start of MODEL    3
    1    H1   LYS   1          1HT       LYS   1  13.514  10.180   1.287
    2    H2   LYS   1          2HT       LYS   1  13.657  11.819   0.904
    3    H3   LYS   1          3HT       LYS   1  12.771  10.765  -0.096
    4    HA   LYS   1           HA       LYS   1  12.058  11.324   2.692
    5    HB2  LYS   1          2HB       LYS   1  10.195  12.663   1.741
    6    HB3  LYS   1          1HB       LYS   1  11.756  13.369   1.371
    7    HG2  LYS   1          2HG       LYS   1  11.651  12.507  -0.885
    8    HG3  LYS   1          1HG       LYS   1  10.142  11.679  -0.524
    9    HD2  LYS   1          2HD       LYS   1  10.501  14.672  -0.361
   10    HD3  LYS   1          1HD       LYS   1   9.901  13.822  -1.785
   11    HE2  LYS   1          2HE       LYS   1   8.032  12.936  -0.453
   12    HE3  LYS   1          1HE       LYS   1   8.630  13.804   0.957
   13    HZ1  LYS   1          1HZ       LYS   1   7.766  15.122  -1.571
   14    HZ2  LYS   1          2HZ       LYS   1   8.203  15.878  -0.120
   15    HZ3  LYS   1          3HZ       LYS   1   6.823  14.938  -0.191
   16    H    THR   2           HN       THR   2   9.475  10.871   2.599
   17    HA   THR   2           HA       THR   2   9.187   8.398   1.126
   18    HB   THR   2           HB       THR   2   7.474   7.873   2.956
   19    HG1  THR   2          1HG       THR   2   7.604   9.862   4.011
   20   HG21  THR   2          1HG2      THR   2   9.211   6.742   4.310
   21   HG22  THR   2          2HG2      THR   2  10.436   7.745   3.526
   22   HG23  THR   2          3HG2      THR   2   9.497   6.593   2.573
   23    H    CYS   3           HN       CYS   3   7.654   8.358  -0.199
   24    HA   CYS   3           HA       CYS   3   5.635  10.462  -0.080
   25    HB2  CYS   3          2HB       CYS   3   5.592  10.109  -2.652
   26    HB3  CYS   3          1HB       CYS   3   6.921  11.033  -1.958
   27    H    GLU   4           HN       GLU   4   3.627   9.702  -1.506
   28    HA   GLU   4           HA       GLU   4   3.259   6.866  -1.063
   29    HB2  GLU   4          2HB       GLU   4   2.589   8.054   0.992
   30    HB3  GLU   4          1HB       GLU   4   1.419   8.962   0.045
   31    HG2  GLU   4          2HG       GLU   4   0.112   7.090  -0.330
   32    HG3  GLU   4          1HG       GLU   4   1.384   5.984   0.194
   33    H    ASN   5           HN       ASN   5   2.230   5.971  -2.639
   34    HA   ASN   5           HA       ASN   5   0.579   7.584  -4.432
   35    HB2  ASN   5          2HB       ASN   5   2.852   5.755  -5.268
   36    HB3  ASN   5          1HB       ASN   5   1.605   6.312  -6.370
   37   HD21  ASN   5          1HD2      ASN   5   1.492   9.015  -5.283
   38   HD22  ASN   5          2HD2      ASN   5   2.950   9.781  -5.779
   39    H    LEU   6           HN       LEU   6  -0.740   6.176  -5.793
   40    HA   LEU   6           HA       LEU   6  -2.020   4.151  -4.373
   41    HB2  LEU   6          2HB       LEU   6  -2.052   4.888  -7.270
   42    HB3  LEU   6          1HB       LEU   6  -2.986   3.544  -6.650
   43    HG   LEU   6           HG       LEU   6  -3.293   6.419  -5.772
   44   HD11  LEU   6          1HD1      LEU   6  -5.044   4.631  -7.428
   45   HD12  LEU   6          2HD1      LEU   6  -4.110   6.001  -8.059
   46   HD13  LEU   6          3HD1      LEU   6  -5.422   6.261  -6.888
   47   HD21  LEU   6          1HD2      LEU   6  -5.295   5.529  -4.690
   48   HD22  LEU   6          2HD2      LEU   6  -3.803   4.912  -4.006
   49   HD23  LEU   6          3HD2      LEU   6  -4.753   3.905  -5.108
   50    H    ALA   7           HN       ALA   7  -1.881   2.066  -4.279
   51    HA   ALA   7           HA       ALA   7   0.413   0.642  -5.055
   52    HB1  ALA   7          1HB       ALA   7  -0.896  -1.346  -4.421
   53    HB2  ALA   7          2HB       ALA   7  -2.364  -0.359  -4.421
   54    HB3  ALA   7          3HB       ALA   7  -1.095  -0.040  -3.243
   55    H    ASP   8           HN       ASP   8   0.857  -0.488  -6.930
   56    HA   ASP   8           HA       ASP   8  -0.802   0.307  -9.162
   57    HB2  ASP   8          2HB       ASP   8   1.627   0.649  -9.315
   58    HB3  ASP   8          1HB       ASP   8   1.872  -1.087  -9.156
   59    H    THR   9           HN       THR   9   0.554  -2.713  -7.860
   60    HA   THR   9           HA       THR   9  -1.210  -3.971  -9.758
   61    HB   THR   9           HB       THR   9  -0.071  -6.118  -9.388
   62    HG1  THR   9          1HG       THR   9   1.704  -4.710  -7.580
   63   HG21  THR   9          1HG2      THR   9   2.077  -5.487 -10.336
   64   HG22  THR   9          2HG2      THR   9   1.769  -3.802  -9.913
   65   HG23  THR   9          3HG2      THR   9   0.745  -4.618 -11.096
   66    H    TYR  10           HN       TYR  10  -1.303  -3.229  -6.520
   67    HA   TYR  10           HA       TYR  10  -3.203  -5.322  -5.895
   68    HB2  TYR  10          2HB       TYR  10  -1.676  -4.262  -4.135
   69    HB3  TYR  10          1HB       TYR  10  -2.674  -2.819  -4.266
   70    HD1  TYR  10          1HD       TYR  10  -2.741  -6.403  -3.381
   71    HD2  TYR  10          2HD       TYR  10  -4.734  -2.669  -3.061
   72    HE1  TYR  10          1HE       TYR  10  -4.251  -7.374  -1.727
   73    HE2  TYR  10          2HE       TYR  10  -6.263  -3.621  -1.398
   74    HH   TYR  10           HH       TYR  10  -5.699  -6.710   0.029
   75    H    LYS  11           HN       LYS  11  -4.818  -5.128  -7.225
   76    HA   LYS  11           HA       LYS  11  -6.028  -2.517  -7.703
   77    HB2  LYS  11          2HB       LYS  11  -6.401  -5.141  -9.126
   78    HB3  LYS  11          1HB       LYS  11  -7.055  -3.587  -9.630
   79    HG2  LYS  11          2HG       LYS  11  -4.832  -2.725 -10.045
   80    HG3  LYS  11          1HG       LYS  11  -4.112  -4.190  -9.390
   81    HD2  LYS  11          2HD       LYS  11  -5.842  -4.044 -11.858
   82    HD3  LYS  11          1HD       LYS  11  -4.083  -4.154 -11.848
   83    HE2  LYS  11          2HE       LYS  11  -6.018  -6.226 -10.785
   84    HE3  LYS  11          1HE       LYS  11  -5.073  -6.332 -12.258
   85    HZ1  LYS  11          1HZ       LYS  11  -3.925  -6.247  -9.500
   86    HZ2  LYS  11          2HZ       LYS  11  -3.036  -6.364 -10.918
   87    HZ3  LYS  11          3HZ       LYS  11  -4.068  -7.601 -10.475
   88    H    GLY  12           HN       GLY  12  -7.639  -2.077  -6.409
   89    HA2  GLY  12          2HA       GLY  12 -10.063  -2.869  -6.336
   90    HA3  GLY  12          1HA       GLY  12  -9.352  -4.225  -5.457
   91    HA   PRO  13           HA       PRO  13 -10.111  -0.693  -2.522
   92    HB2  PRO  13          2HB       PRO  13 -12.246  -2.223  -1.306
   93    HB3  PRO  13          1HB       PRO  13 -12.309  -0.618  -2.026
   94    HG2  PRO  13          2HG       PRO  13 -13.524  -2.788  -3.137
   95    HG3  PRO  13          1HG       PRO  13 -12.926  -1.418  -4.093
   96    HD2  PRO  13          2HD       PRO  13 -11.659  -4.081  -3.587
   97    HD3  PRO  13          1HD       PRO  13 -11.765  -3.158  -5.105
   98    H    CYS  14           HN       CYS  14  -9.737  -0.744  -0.336
   99    HA   CYS  14           HA       CYS  14  -8.330  -3.084   0.625
  100    HB2  CYS  14          2HB       CYS  14  -7.163  -0.962   0.711
  101    HB3  CYS  14          1HB       CYS  14  -8.497  -0.233   1.594
  102    H    PHE  15           HN       PHE  15  -9.507  -4.451   1.722
  103    HA   PHE  15           HA       PHE  15 -11.767  -3.533   3.327
  104    HB2  PHE  15          2HB       PHE  15 -10.925  -6.340   2.597
  105    HB3  PHE  15          1HB       PHE  15 -12.443  -5.867   3.355
  106    HD1  PHE  15          1HD       PHE  15 -10.778  -6.501   0.290
  107    HD2  PHE  15          2HD       PHE  15 -13.944  -4.247   2.026
  108    HE1  PHE  15          1HE       PHE  15 -11.771  -6.183  -1.933
  109    HE2  PHE  15          2HE       PHE  15 -14.937  -3.937  -0.196
  110    HZ   PHE  15           HZ       PHE  15 -13.853  -4.899  -2.172
  111    H    THR  16           HN       THR  16  -8.660  -5.054   3.445
  112    HA   THR  16           HA       THR  16  -8.629  -4.788   6.346
  113    HB   THR  16           HB       THR  16  -7.392  -7.047   4.765
  114    HG1  THR  16          1HG       THR  16  -9.360  -7.854   4.866
  115   HG21  THR  16          1HG2      THR  16  -6.188  -6.522   6.826
  116   HG22  THR  16          2HG2      THR  16  -7.005  -8.077   6.980
  117   HG23  THR  16          3HG2      THR  16  -7.686  -6.644   7.750
  118    H    THR  17           HN       THR  17  -7.095  -3.286   6.705
  119    HA   THR  17           HA       THR  17  -5.414  -2.447   4.620
  120    HB   THR  17           HB       THR  17  -6.242  -0.856   6.353
  121    HG1  THR  17          1HG       THR  17  -4.171  -0.636   5.071
  122   HG21  THR  17          1HG2      THR  17  -5.026  -0.677   8.498
  123   HG22  THR  17          2HG2      THR  17  -4.195  -2.191   8.130
  124   HG23  THR  17          3HG2      THR  17  -5.945  -2.170   8.360
  125    H    GLY  18           HN       GLY  18  -4.905  -4.711   7.203
  126    HA2  GLY  18          2HA       GLY  18  -2.100  -4.876   7.118
  127    HA3  GLY  18          1HA       GLY  18  -3.185  -6.172   7.603
  128    H    SER  19           HN       SER  19  -4.547  -6.246   5.049
  129    HA   SER  19           HA       SER  19  -2.833  -8.043   3.645
  130    HB2  SER  19          2HB       SER  19  -5.231  -8.443   3.717
  131    HB3  SER  19          1HB       SER  19  -5.549  -6.871   2.997
  132    HG   SER  19           HG       SER  19  -4.071  -8.918   1.706
  133    H    CYS  20           HN       CYS  20  -4.069  -4.812   3.126
  134    HA   CYS  20           HA       CYS  20  -3.000  -4.305   0.583
  135    HB2  CYS  20          2HB       CYS  20  -4.763  -2.951   1.552
  136    HB3  CYS  20          1HB       CYS  20  -3.717  -2.489   2.887
  137    H    ASP  21           HN       ASP  21  -1.869  -3.560   3.849
  138    HA   ASP  21           HA       ASP  21   0.521  -2.284   3.256
  139    HB2  ASP  21          2HB       ASP  21  -0.520  -2.188   5.440
  140    HB3  ASP  21          1HB       ASP  21  -0.305  -3.920   5.650
  141    H    ASP  22           HN       ASP  22  -0.160  -5.673   3.923
  142    HA   ASP  22           HA       ASP  22   2.456  -6.690   3.782
  143    HB2  ASP  22          2HB       ASP  22   0.481  -7.942   4.594
  144    HB3  ASP  22          1HB       ASP  22  -0.093  -8.065   2.938
  145    H    HIS  23           HN       HIS  23  -0.028  -6.457   1.243
  146    HA   HIS  23           HA       HIS  23   1.553  -7.545  -0.795
  147    HB2  HIS  23          2HB       HIS  23  -0.908  -7.352  -0.930
  148    HB3  HIS  23          1HB       HIS  23  -0.763  -5.605  -1.031
  149    HD1  HIS  23          1HD       HIS  23  -0.838  -8.639  -3.144
  150    HD2  HIS  23          2HD       HIS  23   0.461  -4.705  -3.479
  151    HE1  HIS  23          1HE       HIS  23  -0.604  -8.180  -5.608
  152    H    CYS  24           HN       CYS  24   1.036  -4.159   0.165
  153    HA   CYS  24           HA       CYS  24   2.646  -3.206  -1.899
  154    HB2  CYS  24          2HB       CYS  24   1.709  -1.858   0.619
  155    HB3  CYS  24          1HB       CYS  24   2.740  -1.039  -0.557
  156    H    LYS  25           HN       LYS  25   3.525  -4.399   1.218
  157    HA   LYS  25           HA       LYS  25   6.237  -3.447   1.027
  158    HB2  LYS  25          2HB       LYS  25   4.911  -5.491   2.794
  159    HB3  LYS  25          1HB       LYS  25   6.620  -5.111   2.887
  160    HG2  LYS  25          2HG       LYS  25   6.156  -2.876   3.577
  161    HG3  LYS  25          1HG       LYS  25   4.430  -3.089   3.259
  162    HD2  LYS  25          2HD       LYS  25   4.263  -4.737   5.008
  163    HD3  LYS  25          1HD       LYS  25   6.007  -4.686   5.257
  164    HE2  LYS  25          2HE       LYS  25   5.899  -2.475   6.122
  165    HE3  LYS  25          1HE       LYS  25   4.217  -2.304   5.617
  166    HZ1  LYS  25          1HZ       LYS  25   4.492  -2.771   8.014
  167    HZ2  LYS  25          2HZ       LYS  25   5.091  -4.310   7.635
  168    HZ3  LYS  25          3HZ       LYS  25   3.525  -3.833   7.156
  169    H    ASN  26           HN       ASN  26   4.613  -6.535   0.582
  170    HA   ASN  26           HA       ASN  26   7.022  -7.932  -0.074
  171    HB2  ASN  26          2HB       ASN  26   4.140  -8.702   0.041
  172    HB3  ASN  26          1HB       ASN  26   5.356  -9.788  -0.626
  173   HD21  ASN  26          1HD2      ASN  26   3.644  -9.750   1.922
  174   HD22  ASN  26          2HD2      ASN  26   4.790 -10.068   3.148
  175    H    LYS  27           HN       LYS  27   4.197  -6.989  -2.018
  176    HA   LYS  27           HA       LYS  27   5.503  -8.075  -4.370
  177    HB2  LYS  27          2HB       LYS  27   3.153  -8.563  -4.193
  178    HB3  LYS  27          1HB       LYS  27   2.769  -6.870  -3.929
  179    HG2  LYS  27          2HG       LYS  27   2.154  -7.471  -6.168
  180    HG3  LYS  27          1HG       LYS  27   3.528  -6.372  -6.226
  181    HD2  LYS  27          2HD       LYS  27   4.985  -8.445  -6.402
  182    HD3  LYS  27          1HD       LYS  27   3.494  -9.344  -6.691
  183    HE2  LYS  27          2HE       LYS  27   4.612  -7.084  -8.344
  184    HE3  LYS  27          1HE       LYS  27   4.481  -8.773  -8.806
  185    HZ1  LYS  27          1HZ       LYS  27   2.184  -6.939  -8.303
  186    HZ2  LYS  27          2HZ       LYS  27   2.089  -8.572  -8.735
  187    HZ3  LYS  27          3HZ       LYS  27   2.769  -7.471  -9.804
  188    H    GLU  28           HN       GLU  28   4.219  -4.991  -3.236
  189    HA   GLU  28           HA       GLU  28   5.196  -3.640  -5.572
  190    HB2  GLU  28          2HB       GLU  28   4.044  -2.445  -3.053
  191    HB3  GLU  28          1HB       GLU  28   4.310  -1.615  -4.572
  192    HG2  GLU  28          2HG       GLU  28   2.430  -3.940  -4.226
  193    HG3  GLU  28          1HG       GLU  28   1.947  -2.244  -4.233
  194    H    HIS  29           HN       HIS  29   6.541  -4.503  -2.607
  195    HA   HIS  29           HA       HIS  29   8.410  -4.000  -1.478
  196    HB2  HIS  29          2HB       HIS  29   9.283  -3.509  -4.301
  197    HB3  HIS  29          1HB       HIS  29  10.398  -3.214  -2.971
  198    HD1  HIS  29          1HD       HIS  29   9.112  -5.896  -5.096
  199    HD2  HIS  29          2HD       HIS  29  10.871  -5.522  -1.363
  200    HE1  HIS  29          1HE       HIS  29   9.976  -8.199  -4.509
  201    H    LEU  30           HN       LEU  30   6.553  -2.119  -1.280
  202    HA   LEU  30           HA       LEU  30   8.062   0.366  -1.200
  203    HB2  LEU  30          2HB       LEU  30   5.105  -0.090  -0.756
  204    HB3  LEU  30          1HB       LEU  30   5.907   1.460  -0.886
  205    HG   LEU  30           HG       LEU  30   5.450  -0.554  -3.073
  206   HD11  LEU  30          1HD1      LEU  30   4.184   1.252  -4.131
  207   HD12  LEU  30          2HD1      LEU  30   4.421   2.238  -2.685
  208   HD13  LEU  30          3HD1      LEU  30   3.512   0.729  -2.589
  209   HD21  LEU  30          1HD2      LEU  30   7.067   2.003  -3.208
  210   HD22  LEU  30          2HD2      LEU  30   6.522   1.083  -4.604
  211   HD23  LEU  30          3HD2      LEU  30   7.643   0.356  -3.459
  212    H    ARG  31           HN       ARG  31   6.982   1.602   0.924
  213    HA   ARG  31           HA       ARG  31   8.302   0.150   3.025
  214    HB2  ARG  31          2HB       ARG  31   8.763   2.500   2.820
  215    HB3  ARG  31          1HB       ARG  31   7.058   2.896   2.956
  216    HG2  ARG  31          2HG       ARG  31   7.027   2.174   5.252
  217    HG3  ARG  31          1HG       ARG  31   8.691   1.615   5.130
  218    HD2  ARG  31          2HD       ARG  31   9.438   3.897   4.735
  219    HD3  ARG  31          1HD       ARG  31   7.769   4.464   4.814
  220    HE   ARG  31           HE       ARG  31   7.973   3.273   7.149
  221   HH11  ARG  31          1HH1      ARG  31  10.316   5.453   5.605
  222   HH12  ARG  31          2HH1      ARG  31  10.875   6.092   7.072
  223   HH21  ARG  31          1HH2      ARG  31   8.749   4.124   9.112
  224   HH22  ARG  31          2HH2      ARG  31   9.950   5.343   9.143
  225    H    SER  32           HN       SER  32   4.979   1.213   2.381
  226    HA   SER  32           HA       SER  32   3.911  -0.735   4.169
  227    HB2  SER  32          2HB       SER  32   4.640   0.996   5.796
  228    HB3  SER  32          1HB       SER  32   3.732   2.208   4.901
  229    HG   SER  32           HG       SER  32   2.436  -0.094   5.872
  230    H    GLY  33           HN       GLY  33   1.492  -0.539   4.148
  231    HA2  GLY  33          2HA       GLY  33   0.555   0.961   1.795
  232    HA3  GLY  33          1HA       GLY  33  -0.008  -0.666   2.140
  233    H    ARG  34           HN       ARG  34  -0.982   2.423   2.300
  234    HA   ARG  34           HA       ARG  34  -2.488   1.922   4.753
  235    HB2  ARG  34          2HB       ARG  34  -1.599   4.584   3.637
  236    HB3  ARG  34          1HB       ARG  34  -2.647   4.391   5.037
  237    HG2  ARG  34          2HG       ARG  34  -0.734   3.161   6.128
  238    HG3  ARG  34          1HG       ARG  34   0.260   3.664   4.762
  239    HD2  ARG  34          2HD       ARG  34  -1.193   5.476   6.692
  240    HD3  ARG  34          1HD       ARG  34   0.543   5.197   6.641
  241    HE   ARG  34           HE       ARG  34  -0.125   6.135   4.134
  242   HH11  ARG  34          1HH1      ARG  34  -0.201   7.406   7.432
  243   HH12  ARG  34          2HH1      ARG  34  -0.189   9.042   6.939
  244   HH21  ARG  34          1HH2      ARG  34  -0.235   8.312   3.485
  245   HH22  ARG  34          2HH2      ARG  34  -0.220   9.589   4.627
  246    H    CYS  35           HN       CYS  35  -4.662   2.478   4.728
  247    HA   CYS  35           HA       CYS  35  -5.755   2.644   2.004
  248    HB2  CYS  35          2HB       CYS  35  -7.057   1.484   4.478
  249    HB3  CYS  35          1HB       CYS  35  -7.600   1.331   2.805
  250    H    ARG  36           HN       ARG  36  -6.739   4.427   1.518
  251    HA   ARG  36           HA       ARG  36  -7.261   6.365   3.608
  252    HB2  ARG  36          2HB       ARG  36  -7.396   6.500   0.626
  253    HB3  ARG  36          1HB       ARG  36  -7.858   7.870   1.637
  254    HG2  ARG  36          2HG       ARG  36  -5.474   7.640   2.606
  255    HG3  ARG  36          1HG       ARG  36  -5.172   6.610   1.215
  256    HD2  ARG  36          2HD       ARG  36  -4.482   8.901   0.764
  257    HD3  ARG  36          1HD       ARG  36  -5.810   8.421  -0.295
  258    HE   ARG  36           HE       ARG  36  -6.632   9.738   2.112
  259   HH11  ARG  36          1HH1      ARG  36  -5.488  10.390  -1.179
  260   HH12  ARG  36          2HH1      ARG  36  -6.345  11.847  -1.319
  261   HH21  ARG  36          1HH2      ARG  36  -7.772  11.777   1.911
  262   HH22  ARG  36          2HH2      ARG  36  -7.639  12.649   0.448
  263    H    ASP  37           HN       ASP  37  -9.358   7.793   2.999
  264    HA   ASP  37           HA       ASP  37 -11.585   6.095   3.610
  265    HB2  ASP  37          2HB       ASP  37 -12.874   8.154   3.817
  266    HB3  ASP  37          1HB       ASP  37 -11.322   8.357   4.615
  267    H    ASP  38           HN       ASP  38 -10.123   6.882   0.843
  268    HA   ASP  38           HA       ASP  38 -12.412   6.817  -0.949
  269    HB2  ASP  38          2HB       ASP  38 -10.383   8.083  -1.575
  270    HB3  ASP  38          1HB       ASP  38  -9.429   6.612  -1.464
  271    H    PHE  39           HN       PHE  39 -10.664   4.697   0.892
  272    HA   PHE  39           HA       PHE  39 -10.577   2.546   1.245
  273    HB2  PHE  39          2HB       PHE  39 -12.702   2.326  -0.887
  274    HB3  PHE  39          1HB       PHE  39 -12.128   0.956   0.057
  275    HD1  PHE  39          1HD       PHE  39 -12.428   1.016   2.550
  276    HD2  PHE  39          2HD       PHE  39 -14.330   3.776  -0.049
  277    HE1  PHE  39          1HE       PHE  39 -14.060   1.549   4.321
  278    HE2  PHE  39          2HE       PHE  39 -15.966   4.321   1.704
  279    HZ   PHE  39           HZ       PHE  39 -15.832   3.201   3.899
  280    H    ARG  40           HN       ARG  40  -9.389   3.867  -1.407
  281    HA   ARG  40           HA       ARG  40  -8.314   1.389  -2.464
  282    HB2  ARG  40          2HB       ARG  40  -9.018   3.035  -4.104
  283    HB3  ARG  40          1HB       ARG  40  -7.987   4.262  -3.372
  284    HG2  ARG  40          2HG       ARG  40  -6.990   3.498  -5.379
  285    HG3  ARG  40          1HG       ARG  40  -6.062   2.906  -4.003
  286    HD2  ARG  40          2HD       ARG  40  -7.152   0.729  -4.217
  287    HD3  ARG  40          1HD       ARG  40  -8.029   1.305  -5.636
  288    HE   ARG  40           HE       ARG  40  -5.122   1.370  -5.506
  289   HH11  ARG  40          1HH1      ARG  40  -8.081   0.275  -7.140
  290   HH12  ARG  40          2HH1      ARG  40  -7.258  -0.333  -8.504
  291   HH21  ARG  40          1HH2      ARG  40  -3.973   0.450  -7.466
  292   HH22  ARG  40          2HH2      ARG  40  -4.936  -0.216  -8.678
  293    H    CYS  41           HN       CYS  41  -6.044   1.036  -2.609
  294    HA   CYS  41           HA       CYS  41  -4.680   1.729  -0.215
  295    HB2  CYS  41          2HB       CYS  41  -4.053  -0.055  -2.517
  296    HB3  CYS  41          1HB       CYS  41  -2.879   0.280  -1.249
  297    H    TRP  42           HN       TRP  42  -3.536   3.395   0.066
  298    HA   TRP  42           HA       TRP  42  -1.862   4.424  -2.087
  299    HB2  TRP  42          2HB       TRP  42  -3.387   5.728   0.081
  300    HB3  TRP  42          1HB       TRP  42  -1.730   6.292  -0.053
  301    HD1  TRP  42          1HD       TRP  42  -1.077   7.614  -2.285
  302    HE1  TRP  42          1HE       TRP  42  -2.526   8.889  -4.007
  303    HE3  TRP  42          3HE       TRP  42  -5.665   5.711  -1.090
  304    HZ2  TRP  42          2HZ       TRP  42  -5.224   9.079  -4.735
  305    HZ3  TRP  42          3HZ       TRP  42  -7.635   6.500  -2.361
  306    HH2  TRP  42          2HH       TRP  42  -7.408   8.146  -4.133
  307    H    CYS  43           HN       CYS  43   0.085   3.638  -1.871
  308    HA   CYS  43           HA       CYS  43   0.833   2.731   0.777
  309    HB2  CYS  43          2HB       CYS  43   1.655   1.656  -1.918
  310    HB3  CYS  43          1HB       CYS  43   2.220   1.042  -0.357
  311    H    THR  44           HN       THR  44   2.719   3.188   1.630
  312    HA   THR  44           HA       THR  44   3.902   5.662   0.841
  313    HB   THR  44           HB       THR  44   4.769   3.772   3.018
  314    HG1  THR  44          1HG       THR  44   2.445   5.460   2.919
  315   HG21  THR  44          1HG2      THR  44   5.351   5.868   4.172
  316   HG22  THR  44          2HG2      THR  44   4.778   6.789   2.780
  317   HG23  THR  44          3HG2      THR  44   6.182   5.735   2.624
  318    H    LYS  45           HN       LYS  45   5.744   5.812  -0.296
  319    HA   LYS  45           HA       LYS  45   7.403   3.439  -0.619
  320    HB2  LYS  45          2HB       LYS  45   7.738   4.140  -3.005
  321    HB3  LYS  45          1HB       LYS  45   6.116   3.588  -2.605
  322    HG2  LYS  45          2HG       LYS  45   5.430   5.986  -2.425
  323    HG3  LYS  45          1HG       LYS  45   7.014   6.419  -3.067
  324    HD2  LYS  45          2HD       LYS  45   5.009   4.630  -4.463
  325    HD3  LYS  45          1HD       LYS  45   5.241   6.340  -4.811
  326    HE2  LYS  45          2HE       LYS  45   7.528   5.907  -5.503
  327    HE3  LYS  45          1HE       LYS  45   7.352   4.200  -5.092
  328    HZ1  LYS  45          1HZ       LYS  45   7.128   4.630  -7.453
  329    HZ2  LYS  45          2HZ       LYS  45   5.770   5.592  -7.219
  330    HZ3  LYS  45          3HZ       LYS  45   5.739   3.959  -6.836
  331    H    ASN  46           HN       ASN  46   9.598   3.802  -0.915
  332    HA   ASN  46           HA       ASN  46  10.498   6.232   0.361
  333    HB2  ASN  46          2HB       ASN  46  12.052   3.800  -0.547
  334    HB3  ASN  46          1HB       ASN  46  12.743   5.166   0.316
  335   HD21  ASN  46          1HD2      ASN  46  10.918   2.257   0.565
  336   HD22  ASN  46          2HD2      ASN  46  10.813   2.270   2.295
  337    H    CYS  47           HN       CYS  47  11.197   7.936  -0.686
  338    HA   CYS  47           HA       CYS  47  12.354   7.558  -3.288
  339    HB2  CYS  47          2HB       CYS  47  11.024   9.597  -4.086
  340    HB3  CYS  47          1HB       CYS  47  10.123   8.102  -3.902
  Start of MODEL    4
    1    H1   LYS   1          1HT       LYS   1  13.323  12.175  -1.937
    2    H2   LYS   1          2HT       LYS   1  12.255  11.068  -2.614
    3    H3   LYS   1          3HT       LYS   1  13.285  10.560  -1.386
    4    HA   LYS   1           HA       LYS   1  12.094  12.045   0.143
    5    HB2  LYS   1          2HB       LYS   1  11.350  13.655  -1.577
    6    HB3  LYS   1          1HB       LYS   1  10.403  12.410  -2.358
    7    HG2  LYS   1          2HG       LYS   1   8.971  13.935  -1.160
    8    HG3  LYS   1          1HG       LYS   1   8.908  12.345  -0.399
    9    HD2  LYS   1          2HD       LYS   1  10.481  13.124   1.311
   10    HD3  LYS   1          1HD       LYS   1  10.527  14.709   0.540
   11    HE2  LYS   1          2HE       LYS   1   8.055  13.405   1.686
   12    HE3  LYS   1          1HE       LYS   1   9.026  14.620   2.510
   13    HZ1  LYS   1          1HZ       LYS   1   7.517  15.033  -0.032
   14    HZ2  LYS   1          2HZ       LYS   1   8.503  16.171   0.714
   15    HZ3  LYS   1          3HZ       LYS   1   7.121  15.645   1.489
   16    H    THR   2           HN       THR   2  10.352  10.982   1.315
   17    HA   THR   2           HA       THR   2   9.447   8.536   0.040
   18    HB   THR   2           HB       THR   2   8.640   8.091   2.499
   19    HG1  THR   2          1HG       THR   2  10.802   9.870   2.902
   20   HG21  THR   2          1HG2      THR   2  10.800   7.028   3.026
   21   HG22  THR   2          2HG2      THR   2  11.558   7.962   1.731
   22   HG23  THR   2          3HG2      THR   2  10.317   6.767   1.348
   23    H    CYS   3           HN       CYS   3   7.338   8.287  -0.352
   24    HA   CYS   3           HA       CYS   3   5.520  10.315   0.630
   25    HB2  CYS   3          2HB       CYS   3   4.727  10.783  -1.723
   26    HB3  CYS   3          1HB       CYS   3   6.344  11.379  -1.366
   27    H    GLU   4           HN       GLU   4   3.425   9.665   0.644
   28    HA   GLU   4           HA       GLU   4   3.015   6.833   0.236
   29    HB2  GLU   4          2HB       GLU   4   2.271   8.211   2.276
   30    HB3  GLU   4          1HB       GLU   4   1.007   8.841   1.227
   31    HG2  GLU   4          2HG       GLU   4   0.276   6.513   0.834
   32    HG3  GLU   4          1HG       GLU   4   1.476   5.992   2.000
   33    H    ASN   5           HN       ASN   5   2.437   6.233  -1.683
   34    HA   ASN   5           HA       ASN   5   0.762   7.964  -3.336
   35    HB2  ASN   5          2HB       ASN   5   3.010   8.466  -4.017
   36    HB3  ASN   5          1HB       ASN   5   3.437   6.766  -4.055
   37   HD21  ASN   5          1HD2      ASN   5   1.802   9.366  -5.704
   38   HD22  ASN   5          2HD2      ASN   5   1.635   8.521  -7.199
   39    H    LEU   6           HN       LEU   6  -0.410   6.864  -4.911
   40    HA   LEU   6           HA       LEU   6  -1.686   4.601  -4.144
   41    HB2  LEU   6          2HB       LEU   6  -1.371   5.822  -6.843
   42    HB3  LEU   6          1HB       LEU   6  -2.392   4.423  -6.569
   43    HG   LEU   6           HG       LEU   6  -2.735   7.042  -5.109
   44   HD11  LEU   6          1HD1      LEU   6  -4.284   5.892  -7.399
   45   HD12  LEU   6          2HD1      LEU   6  -3.171   7.270  -7.523
   46   HD13  LEU   6          3HD1      LEU   6  -4.631   7.378  -6.524
   47   HD21  LEU   6          1HD2      LEU   6  -4.903   6.077  -4.584
   48   HD22  LEU   6          2HD2      LEU   6  -3.573   5.149  -3.913
   49   HD23  LEU   6          3HD2      LEU   6  -4.404   4.580  -5.366
   50    H    ALA   7           HN       ALA   7  -1.622   2.572  -4.333
   51    HA   ALA   7           HA       ALA   7   0.745   1.172  -4.908
   52    HB1  ALA   7          1HB       ALA   7  -2.069   0.118  -4.668
   53    HB2  ALA   7          2HB       ALA   7  -0.972   0.423  -3.326
   54    HB3  ALA   7          3HB       ALA   7  -0.582  -0.830  -4.514
   55    H    ASP   8           HN       ASP   8   1.464   0.319  -6.724
   56    HA   ASP   8           HA       ASP   8   0.094   1.054  -9.160
   57    HB2  ASP   8          2HB       ASP   8   2.844  -0.129  -8.741
   58    HB3  ASP   8          1HB       ASP   8   2.185   0.321 -10.303
   59    H    THR   9           HN       THR   9   1.466  -1.965  -7.776
   60    HA   THR   9           HA       THR   9   0.344  -3.479  -9.899
   61    HB   THR   9           HB       THR   9   1.583  -4.415  -7.318
   62    HG1  THR   9          1HG       THR   9   3.308  -3.670  -8.035
   63   HG21  THR   9          1HG2      THR   9   1.416  -5.623 -10.065
   64   HG22  THR   9          2HG2      THR   9   0.450  -6.100  -8.663
   65   HG23  THR   9          3HG2      THR   9   2.206  -6.345  -8.654
   66    H    TYR  10           HN       TYR  10  -0.544  -2.696  -6.602
   67    HA   TYR  10           HA       TYR  10  -2.687  -4.631  -6.511
   68    HB2  TYR  10          2HB       TYR  10  -1.413  -3.769  -4.461
   69    HB3  TYR  10          1HB       TYR  10  -2.236  -2.237  -4.695
   70    HD1  TYR  10          1HD       TYR  10  -2.532  -5.658  -3.506
   71    HD2  TYR  10          2HD       TYR  10  -4.661  -2.060  -4.212
   72    HE1  TYR  10          1HE       TYR  10  -4.353  -6.468  -2.071
   73    HE2  TYR  10          2HE       TYR  10  -6.485  -2.845  -2.801
   74    HH   TYR  10           HH       TYR  10  -7.407  -4.898  -1.967
   75    H    LYS  11           HN       LYS  11  -4.050  -4.187  -8.174
   76    HA   LYS  11           HA       LYS  11  -4.874  -1.434  -8.665
   77    HB2  LYS  11          2HB       LYS  11  -5.359  -3.934 -10.270
   78    HB3  LYS  11          1HB       LYS  11  -5.775  -2.296 -10.754
   79    HG2  LYS  11          2HG       LYS  11  -3.426  -1.679 -10.773
   80    HG3  LYS  11          1HG       LYS  11  -2.982  -3.293 -10.224
   81    HD2  LYS  11          2HD       LYS  11  -2.656  -3.026 -12.641
   82    HD3  LYS  11          1HD       LYS  11  -3.880  -4.245 -12.278
   83    HE2  LYS  11          2HE       LYS  11  -5.639  -2.687 -12.745
   84    HE3  LYS  11          1HE       LYS  11  -4.470  -1.385 -12.958
   85    HZ1  LYS  11          1HZ       LYS  11  -3.655  -2.476 -14.932
   86    HZ2  LYS  11          2HZ       LYS  11  -5.347  -2.399 -15.078
   87    HZ3  LYS  11          3HZ       LYS  11  -4.604  -3.825 -14.658
   88    H    GLY  12           HN       GLY  12  -5.883  -3.278  -6.531
   89    HA2  GLY  12          2HA       GLY  12  -8.744  -3.030  -7.206
   90    HA3  GLY  12          1HA       GLY  12  -8.091  -4.309  -6.186
   91    HA   PRO  13           HA       PRO  13  -9.340  -0.779  -3.397
   92    HB2  PRO  13          2HB       PRO  13 -11.585  -1.910  -2.371
   93    HB3  PRO  13          1HB       PRO  13 -11.643  -0.790  -3.735
   94    HG2  PRO  13          2HG       PRO  13 -11.799  -3.766  -3.688
   95    HG3  PRO  13          1HG       PRO  13 -12.652  -2.615  -4.730
   96    HD2  PRO  13          2HD       PRO  13 -10.472  -4.063  -5.545
   97    HD3  PRO  13          1HD       PRO  13 -10.913  -2.481  -6.213
   98    H    CYS  14           HN       CYS  14  -9.208  -0.967  -1.196
   99    HA   CYS  14           HA       CYS  14  -8.048  -3.465  -0.226
  100    HB2  CYS  14          2HB       CYS  14  -6.650  -1.523   0.029
  101    HB3  CYS  14          1HB       CYS  14  -7.964  -0.622   0.773
  102    H    PHE  15           HN       PHE  15  -9.123  -4.650   1.270
  103    HA   PHE  15           HA       PHE  15 -11.542  -3.489   2.403
  104    HB2  PHE  15          2HB       PHE  15 -10.643  -6.399   2.389
  105    HB3  PHE  15          1HB       PHE  15 -12.193  -5.791   2.943
  106    HD1  PHE  15          1HD       PHE  15 -10.292  -6.894   0.091
  107    HD2  PHE  15          2HD       PHE  15 -13.743  -4.712   1.290
  108    HE1  PHE  15          1HE       PHE  15 -11.209  -7.106  -2.171
  109    HE2  PHE  15          2HE       PHE  15 -14.663  -4.923  -0.950
  110    HZ   PHE  15           HZ       PHE  15 -13.402  -6.123  -2.706
  111    H    THR  16           HN       THR  16  -8.901  -5.633   3.391
  112    HA   THR  16           HA       THR  16  -8.986  -4.530   6.107
  113    HB   THR  16           HB       THR  16  -7.453  -6.873   4.962
  114    HG1  THR  16          1HG       THR  16  -9.703  -7.232   4.976
  115   HG21  THR  16          1HG2      THR  16  -7.928  -6.070   7.839
  116   HG22  THR  16          2HG2      THR  16  -6.396  -5.965   6.975
  117   HG23  THR  16          3HG2      THR  16  -7.110  -7.541   7.316
  118    H    THR  17           HN       THR  17  -7.457  -2.983   6.602
  119    HA   THR  17           HA       THR  17  -5.710  -1.918   4.733
  120    HB   THR  17           HB       THR  17  -5.515  -1.722   7.758
  121    HG1  THR  17          1HG       THR  17  -7.255  -0.602   7.483
  122   HG21  THR  17          1HG2      THR  17  -4.267   0.362   7.350
  123   HG22  THR  17          2HG2      THR  17  -4.348   0.076   5.611
  124   HG23  THR  17          3HG2      THR  17  -3.422  -1.016   6.640
  125    H    GLY  18           HN       GLY  18  -5.058  -4.293   7.247
  126    HA2  GLY  18          2HA       GLY  18  -2.277  -4.452   6.937
  127    HA3  GLY  18          1HA       GLY  18  -3.311  -5.704   7.609
  128    H    SER  19           HN       SER  19  -4.813  -5.679   4.963
  129    HA   SER  19           HA       SER  19  -3.282  -7.810   3.802
  130    HB2  SER  19          2HB       SER  19  -5.736  -7.973   3.977
  131    HB3  SER  19          1HB       SER  19  -5.904  -6.558   2.941
  132    HG   SER  19           HG       SER  19  -5.017  -9.148   2.328
  133    H    CYS  20           HN       CYS  20  -4.196  -4.500   2.917
  134    HA   CYS  20           HA       CYS  20  -2.878  -4.721   0.383
  135    HB2  CYS  20          2HB       CYS  20  -4.786  -3.147   0.728
  136    HB3  CYS  20          1HB       CYS  20  -3.768  -2.211   1.821
  137    H    ASP  21           HN       ASP  21  -2.147  -3.510   3.595
  138    HA   ASP  21           HA       ASP  21   0.341  -2.353   3.084
  139    HB2  ASP  21          2HB       ASP  21  -0.794  -2.195   5.273
  140    HB3  ASP  21          1HB       ASP  21  -0.515  -3.912   5.532
  141    H    ASP  22           HN       ASP  22  -0.556  -5.666   3.851
  142    HA   ASP  22           HA       ASP  22   1.979  -6.888   3.812
  143    HB2  ASP  22          2HB       ASP  22  -0.114  -7.957   4.615
  144    HB3  ASP  22          1HB       ASP  22  -0.685  -8.039   2.956
  145    H    HIS  23           HN       HIS  23  -0.288  -6.229   1.160
  146    HA   HIS  23           HA       HIS  23   1.273  -7.515  -0.823
  147    HB2  HIS  23          2HB       HIS  23  -1.139  -7.003  -1.129
  148    HB3  HIS  23          1HB       HIS  23  -0.761  -5.289  -1.149
  149    HD1  HIS  23          1HD       HIS  23  -0.914  -8.283  -3.339
  150    HD2  HIS  23          2HD       HIS  23   0.631  -4.429  -3.483
  151    HE1  HIS  23          1HE       HIS  23  -0.549  -7.750  -5.798
  152    H    CYS  24           HN       CYS  24   1.006  -4.085   0.140
  153    HA   CYS  24           HA       CYS  24   2.976  -3.318  -1.682
  154    HB2  CYS  24          2HB       CYS  24   1.815  -1.839   0.679
  155    HB3  CYS  24          1HB       CYS  24   3.059  -1.129  -0.352
  156    H    LYS  25           HN       LYS  25   3.255  -4.542   1.534
  157    HA   LYS  25           HA       LYS  25   6.013  -3.918   1.946
  158    HB2  LYS  25          2HB       LYS  25   4.246  -6.112   3.024
  159    HB3  LYS  25          1HB       LYS  25   5.911  -5.876   3.524
  160    HG2  LYS  25          2HG       LYS  25   3.827  -3.760   3.829
  161    HG3  LYS  25          1HG       LYS  25   4.047  -5.036   5.018
  162    HD2  LYS  25          2HD       LYS  25   6.461  -4.321   5.156
  163    HD3  LYS  25          1HD       LYS  25   6.007  -2.911   4.189
  164    HE2  LYS  25          2HE       LYS  25   4.390  -2.242   5.832
  165    HE3  LYS  25          1HE       LYS  25   4.678  -3.700   6.770
  166    HZ1  LYS  25          1HZ       LYS  25   5.784  -1.813   7.727
  167    HZ2  LYS  25          2HZ       LYS  25   6.629  -1.519   6.291
  168    HZ3  LYS  25          3HZ       LYS  25   6.937  -2.918   7.185
  169    H    ASN  26           HN       ASN  26   4.304  -6.822   0.834
  170    HA   ASN  26           HA       ASN  26   6.760  -8.263   0.429
  171    HB2  ASN  26          2HB       ASN  26   3.915  -9.075  -0.111
  172    HB3  ASN  26          1HB       ASN  26   5.315 -10.129  -0.262
  173   HD21  ASN  26          1HD2      ASN  26   2.942 -10.193   1.483
  174   HD22  ASN  26          2HD2      ASN  26   3.537 -10.287   3.080
  175    H    LYS  27           HN       LYS  27   4.156  -7.185  -1.763
  176    HA   LYS  27           HA       LYS  27   5.670  -8.249  -3.983
  177    HB2  LYS  27          2HB       LYS  27   3.206  -8.535  -3.960
  178    HB3  LYS  27          1HB       LYS  27   3.016  -6.794  -3.984
  179    HG2  LYS  27          2HG       LYS  27   2.633  -7.765  -6.188
  180    HG3  LYS  27          1HG       LYS  27   4.033  -6.693  -6.197
  181    HD2  LYS  27          2HD       LYS  27   5.509  -8.685  -5.975
  182    HD3  LYS  27          1HD       LYS  27   4.080  -9.716  -6.080
  183    HE2  LYS  27          2HE       LYS  27   4.992  -7.767  -8.188
  184    HE3  LYS  27          1HE       LYS  27   5.315  -9.495  -8.212
  185    HZ1  LYS  27          1HZ       LYS  27   2.559  -8.335  -8.239
  186    HZ2  LYS  27          2HZ       LYS  27   2.999  -9.950  -8.482
  187    HZ3  LYS  27          3HZ       LYS  27   3.430  -8.798  -9.595
  188    H    GLU  28           HN       GLU  28   4.497  -5.105  -2.892
  189    HA   GLU  28           HA       GLU  28   5.845  -3.783  -5.061
  190    HB2  GLU  28          2HB       GLU  28   4.500  -2.566  -2.640
  191    HB3  GLU  28          1HB       GLU  28   5.071  -1.707  -4.056
  192    HG2  GLU  28          2HG       GLU  28   2.933  -3.812  -4.153
  193    HG3  GLU  28          1HG       GLU  28   2.628  -2.079  -4.052
  194    H    HIS  29           HN       HIS  29   6.669  -4.735  -1.891
  195    HA   HIS  29           HA       HIS  29   8.521  -4.569  -0.611
  196    HB2  HIS  29          2HB       HIS  29   9.795  -3.760  -3.243
  197    HB3  HIS  29          1HB       HIS  29  10.711  -4.102  -1.779
  198    HD1  HIS  29          1HD       HIS  29   8.861  -5.795  -4.581
  199    HD2  HIS  29          2HD       HIS  29  10.836  -6.802  -1.063
  200    HE1  HIS  29          1HE       HIS  29   9.231  -8.271  -4.687
  201    H    LEU  30           HN       LEU  30   6.767  -2.400  -0.739
  202    HA   LEU  30           HA       LEU  30   8.374   0.019  -0.612
  203    HB2  LEU  30          2HB       LEU  30   5.420  -0.390  -0.212
  204    HB3  LEU  30          1HB       LEU  30   6.238   1.154  -0.333
  205    HG   LEU  30           HG       LEU  30   5.949  -0.898  -2.493
  206   HD11  LEU  30          1HD1      LEU  30   3.899   0.249  -2.114
  207   HD12  LEU  30          2HD1      LEU  30   4.616   0.874  -3.603
  208   HD13  LEU  30          3HD1      LEU  30   4.707   1.810  -2.109
  209   HD21  LEU  30          1HD2      LEU  30   6.980   0.791  -3.977
  210   HD22  LEU  30          2HD2      LEU  30   8.084   0.181  -2.750
  211   HD23  LEU  30          3HD2      LEU  30   7.350   1.773  -2.558
  212    H    ARG  31           HN       ARG  31   7.544   1.509   1.317
  213    HA   ARG  31           HA       ARG  31   8.589   0.280   3.638
  214    HB2  ARG  31          2HB       ARG  31   8.883   2.691   3.252
  215    HB3  ARG  31          1HB       ARG  31   7.152   2.943   3.380
  216    HG2  ARG  31          2HG       ARG  31   7.237   2.128   5.703
  217    HG3  ARG  31          1HG       ARG  31   8.980   1.965   5.549
  218    HD2  ARG  31          2HD       ARG  31   9.167   4.382   5.185
  219    HD3  ARG  31          1HD       ARG  31   7.413   4.532   5.336
  220    HE   ARG  31           HE       ARG  31   8.797   3.252   7.516
  221   HH11  ARG  31          1HH1      ARG  31   7.504   6.324   6.339
  222   HH12  ARG  31          2HH1      ARG  31   7.228   6.962   7.895
  223   HH21  ARG  31          1HH2      ARG  31   8.425   4.144   9.632
  224   HH22  ARG  31          2HH2      ARG  31   7.794   5.717   9.807
  225    H    SER  32           HN       SER  32   5.295   1.106   2.643
  226    HA   SER  32           HA       SER  32   4.126  -0.937   4.148
  227    HB2  SER  32          2HB       SER  32   2.785   0.751   5.663
  228    HB3  SER  32          1HB       SER  32   4.393   0.235   6.163
  229    HG   SER  32           HG       SER  32   3.792   2.693   4.792
  230    H    GLY  33           HN       GLY  33   1.589  -0.474   4.234
  231    HA2  GLY  33          2HA       GLY  33   0.839   1.085   1.853
  232    HA3  GLY  33          1HA       GLY  33   0.299  -0.575   2.018
  233    H    ARG  34           HN       ARG  34  -0.960   2.356   2.187
  234    HA   ARG  34           HA       ARG  34  -2.513   1.681   4.555
  235    HB2  ARG  34          2HB       ARG  34  -1.693   4.404   3.584
  236    HB3  ARG  34          1HB       ARG  34  -2.904   4.136   4.825
  237    HG2  ARG  34          2HG       ARG  34  -1.221   3.021   6.216
  238    HG3  ARG  34          1HG       ARG  34  -0.008   3.326   4.969
  239    HD2  ARG  34          2HD       ARG  34   0.119   4.971   6.735
  240    HD3  ARG  34          1HD       ARG  34  -0.357   5.722   5.212
  241    HE   ARG  34           HE       ARG  34  -2.317   4.988   7.270
  242   HH11  ARG  34          1HH1      ARG  34  -1.048   7.366   4.977
  243   HH12  ARG  34          2HH1      ARG  34  -2.067   8.629   5.481
  244   HH21  ARG  34          1HH2      ARG  34  -3.728   6.683   7.969
  245   HH22  ARG  34          2HH2      ARG  34  -3.675   8.222   7.231
  246    H    CYS  35           HN       CYS  35  -4.608   1.746   4.449
  247    HA   CYS  35           HA       CYS  35  -5.780   2.126   1.811
  248    HB2  CYS  35          2HB       CYS  35  -6.921   0.753   4.254
  249    HB3  CYS  35          1HB       CYS  35  -7.559   0.692   2.608
  250    H    ARG  36           HN       ARG  36  -6.400   4.101   1.573
  251    HA   ARG  36           HA       ARG  36  -7.158   5.839   3.707
  252    HB2  ARG  36          2HB       ARG  36  -7.349   6.081   0.719
  253    HB3  ARG  36          1HB       ARG  36  -7.702   7.397   1.830
  254    HG2  ARG  36          2HG       ARG  36  -5.033   6.006   1.634
  255    HG3  ARG  36          1HG       ARG  36  -5.440   7.478   0.756
  256    HD2  ARG  36          2HD       ARG  36  -5.901   8.562   2.949
  257    HD3  ARG  36          1HD       ARG  36  -5.300   7.109   3.746
  258    HE   ARG  36           HE       ARG  36  -3.123   7.556   2.659
  259   HH11  ARG  36          1HH1      ARG  36  -5.375  10.285   2.935
  260   HH12  ARG  36          2HH1      ARG  36  -4.137  11.451   2.834
  261   HH21  ARG  36          1HH2      ARG  36  -1.566   9.041   2.517
  262   HH22  ARG  36          2HH2      ARG  36  -1.832  10.741   2.558
  263    H    ASP  37           HN       ASP  37  -9.299   7.155   3.339
  264    HA   ASP  37           HA       ASP  37 -11.517   5.480   3.816
  265    HB2  ASP  37          2HB       ASP  37 -11.394   7.765   4.693
  266    HB3  ASP  37          1HB       ASP  37 -11.403   8.410   3.060
  267    H    ASP  38           HN       ASP  38 -10.150   6.748   1.016
  268    HA   ASP  38           HA       ASP  38 -12.212   6.632  -0.905
  269    HB2  ASP  38          2HB       ASP  38  -9.257   6.162  -1.272
  270    HB3  ASP  38          1HB       ASP  38 -10.398   6.587  -2.533
  271    H    PHE  39           HN       PHE  39 -10.548   4.189   0.778
  272    HA   PHE  39           HA       PHE  39 -10.415   1.965   0.762
  273    HB2  PHE  39          2HB       PHE  39 -12.350   2.011  -1.570
  274    HB3  PHE  39          1HB       PHE  39 -11.819   0.559  -0.739
  275    HD1  PHE  39          1HD       PHE  39 -12.181   0.638   1.878
  276    HD2  PHE  39          2HD       PHE  39 -14.337   2.925  -0.971
  277    HE1  PHE  39          1HE       PHE  39 -14.039   0.871   3.478
  278    HE2  PHE  39          2HE       PHE  39 -16.194   3.164   0.617
  279    HZ   PHE  39           HZ       PHE  39 -16.041   2.133   2.845
  280    H    ARG  40           HN       ARG  40  -9.270   3.865  -1.426
  281    HA   ARG  40           HA       ARG  40  -8.008   1.850  -3.090
  282    HB2  ARG  40          2HB       ARG  40  -8.960   3.913  -4.138
  283    HB3  ARG  40          1HB       ARG  40  -7.864   4.880  -3.174
  284    HG2  ARG  40          2HG       ARG  40  -7.076   4.712  -5.415
  285    HG3  ARG  40          1HG       ARG  40  -5.995   3.845  -4.325
  286    HD2  ARG  40          2HD       ARG  40  -7.048   1.724  -4.986
  287    HD3  ARG  40          1HD       ARG  40  -8.093   2.620  -6.100
  288    HE   ARG  40           HE       ARG  40  -6.023   3.367  -7.179
  289   HH11  ARG  40          1HH1      ARG  40  -6.228   0.161  -5.621
  290   HH12  ARG  40          2HH1      ARG  40  -4.807  -0.406  -6.371
  291   HH21  ARG  40          1HH2      ARG  40  -4.124   2.517  -8.242
  292   HH22  ARG  40          2HH2      ARG  40  -3.575   0.962  -7.913
  293    H    CYS  41           HN       CYS  41  -5.672   1.691  -3.144
  294    HA   CYS  41           HA       CYS  41  -4.588   2.080  -0.500
  295    HB2  CYS  41          2HB       CYS  41  -3.701   0.446  -2.831
  296    HB3  CYS  41          1HB       CYS  41  -2.746   0.633  -1.369
  297    H    TRP  42           HN       TRP  42  -3.374   3.634  -0.007
  298    HA   TRP  42           HA       TRP  42  -1.572   4.803  -1.975
  299    HB2  TRP  42          2HB       TRP  42  -3.103   5.898   0.338
  300    HB3  TRP  42          1HB       TRP  42  -1.468   6.495   0.181
  301    HD1  TRP  42          1HD       TRP  42  -0.964   8.182  -1.749
  302    HE1  TRP  42          1HE       TRP  42  -2.471   9.570  -3.320
  303    HE3  TRP  42          3HE       TRP  42  -5.405   5.765  -1.017
  304    HZ2  TRP  42          2HZ       TRP  42  -5.154   9.646  -4.124
  305    HZ3  TRP  42          3HZ       TRP  42  -7.397   6.583  -2.217
  306    HH2  TRP  42          2HH       TRP  42  -7.265   8.473  -3.737
  307    H    CYS  43           HN       CYS  43   0.352   3.824  -1.775
  308    HA   CYS  43           HA       CYS  43   1.002   2.773   0.852
  309    HB2  CYS  43          2HB       CYS  43   1.906   1.821  -1.872
  310    HB3  CYS  43          1HB       CYS  43   2.486   1.167  -0.341
  311    H    THR  44           HN       THR  44   3.051   2.942   1.657
  312    HA   THR  44           HA       THR  44   4.209   5.506   1.227
  313    HB   THR  44           HB       THR  44   5.261   3.299   2.959
  314    HG1  THR  44          1HG       THR  44   3.209   4.992   3.900
  315   HG21  THR  44          1HG2      THR  44   4.999   6.288   3.253
  316   HG22  THR  44          2HG2      THR  44   6.488   5.400   2.916
  317   HG23  THR  44          3HG2      THR  44   5.672   5.211   4.472
  318    H    LYS  45           HN       LYS  45   5.615   5.699  -0.497
  319    HA   LYS  45           HA       LYS  45   7.526   3.521  -0.917
  320    HB2  LYS  45          2HB       LYS  45   7.355   3.863  -3.325
  321    HB3  LYS  45          1HB       LYS  45   5.811   3.401  -2.630
  322    HG2  LYS  45          2HG       LYS  45   5.101   5.758  -2.713
  323    HG3  LYS  45          1HG       LYS  45   6.637   6.168  -3.474
  324    HD2  LYS  45          2HD       LYS  45   4.955   5.939  -5.199
  325    HD3  LYS  45          1HD       LYS  45   6.092   4.603  -5.317
  326    HE2  LYS  45          2HE       LYS  45   4.543   3.112  -4.206
  327    HE3  LYS  45          1HE       LYS  45   3.421   4.442  -3.924
  328    HZ1  LYS  45          1HZ       LYS  45   2.728   3.137  -5.793
  329    HZ2  LYS  45          2HZ       LYS  45   4.201   3.304  -6.549
  330    HZ3  LYS  45          3HZ       LYS  45   3.200   4.658  -6.342
  331    H    ASN  46           HN       ASN  46   9.281   4.356  -2.469
  332    HA   ASN  46           HA       ASN  46  10.227   6.880  -1.403
  333    HB2  ASN  46          2HB       ASN  46  11.632   4.614  -2.831
  334    HB3  ASN  46          1HB       ASN  46  12.392   6.156  -2.463
  335   HD21  ASN  46          1HD2      ASN  46  13.010   6.597  -0.382
  336   HD22  ASN  46          2HD2      ASN  46  12.984   5.432   0.873
  337    H    CYS  47           HN       CYS  47  10.568   8.564  -2.673
  338    HA   CYS  47           HA       CYS  47  10.372   8.280  -5.519
  339    HB2  CYS  47          2HB       CYS  47   8.872  10.377  -5.488
  340    HB3  CYS  47          1HB       CYS  47   8.117   8.859  -5.029
  Start of MODEL    5
    1    H1   LYS   1          1HT       LYS   1  12.668  12.548   0.168
    2    H2   LYS   1          2HT       LYS   1  11.278  12.030  -0.694
    3    H3   LYS   1          3HT       LYS   1  12.479  10.946  -0.343
    4    HA   LYS   1           HA       LYS   1  12.017  11.021   1.977
    5    HB2  LYS   1          2HB       LYS   1   9.770  12.910   1.178
    6    HB3  LYS   1          1HB       LYS   1  10.075  12.279   2.783
    7    HG2  LYS   1          2HG       LYS   1  12.201  13.516   2.837
    8    HG3  LYS   1          1HG       LYS   1  11.803  14.133   1.230
    9    HD2  LYS   1          2HD       LYS   1  11.214  15.810   2.860
   10    HD3  LYS   1          1HD       LYS   1   9.750  15.144   2.146
   11    HE2  LYS   1          2HE       LYS   1   9.420  15.389   4.515
   12    HE3  LYS   1          1HE       LYS   1   9.496  13.672   4.144
   13    HZ1  LYS   1          1HZ       LYS   1  10.771  14.120   6.095
   14    HZ2  LYS   1          2HZ       LYS   1  11.604  15.356   5.347
   15    HZ3  LYS   1          3HZ       LYS   1  11.887  13.774   4.877
   16    H    THR   2           HN       THR   2   9.282  10.679   2.560
   17    HA   THR   2           HA       THR   2   8.797   8.474   0.786
   18    HB   THR   2           HB       THR   2   6.894   8.026   2.458
   19    HG1  THR   2          1HG       THR   2   7.379  10.227   3.472
   20   HG21  THR   2          1HG2      THR   2   8.895   6.686   2.166
   21   HG22  THR   2          2HG2      THR   2   8.493   6.817   3.885
   22   HG23  THR   2          3HG2      THR   2   9.801   7.789   3.192
   23    H    CYS   3           HN       CYS   3   7.375   8.378  -0.647
   24    HA   CYS   3           HA       CYS   3   5.424  10.520  -0.863
   25    HB2  CYS   3          2HB       CYS   3   5.466   9.826  -3.318
   26    HB3  CYS   3          1HB       CYS   3   6.926  10.620  -2.730
   27    H    GLU   4           HN       GLU   4   3.466   9.774  -0.268
   28    HA   GLU   4           HA       GLU   4   3.073   6.916  -0.411
   29    HB2  GLU   4          2HB       GLU   4   2.498   8.421   1.632
   30    HB3  GLU   4          1HB       GLU   4   1.082   8.879   0.693
   31    HG2  GLU   4          2HG       GLU   4   0.157   6.784   0.808
   32    HG3  GLU   4          1HG       GLU   4   1.695   6.001   1.157
   33    H    ASN   5           HN       ASN   5   2.277   6.081  -2.109
   34    HA   ASN   5           HA       ASN   5   0.739   7.731  -4.008
   35    HB2  ASN   5          2HB       ASN   5   3.010   7.840  -4.732
   36    HB3  ASN   5          1HB       ASN   5   3.259   6.134  -4.432
   37   HD21  ASN   5          1HD2      ASN   5   2.007   8.498  -6.607
   38   HD22  ASN   5          2HD2      ASN   5   1.800   7.439  -7.957
   39    H    LEU   6           HN       LEU   6  -0.676   6.584  -5.347
   40    HA   LEU   6           HA       LEU   6  -1.974   4.367  -4.328
   41    HB2  LEU   6          2HB       LEU   6  -1.967   5.608  -7.036
   42    HB3  LEU   6          1HB       LEU   6  -2.848   4.130  -6.739
   43    HG   LEU   6           HG       LEU   6  -3.334   6.735  -5.290
   44   HD11  LEU   6          1HD1      LEU   6  -5.350   6.824  -6.668
   45   HD12  LEU   6          2HD1      LEU   6  -4.837   5.346  -7.492
   46   HD13  LEU   6          3HD1      LEU   6  -3.898   6.830  -7.680
   47   HD21  LEU   6          1HD2      LEU   6  -5.374   5.610  -4.560
   48   HD22  LEU   6          2HD2      LEU   6  -3.944   4.764  -3.980
   49   HD23  LEU   6          3HD2      LEU   6  -4.852   4.127  -5.356
   50    H    ALA   7           HN       ALA   7  -1.950   2.317  -4.622
   51    HA   ALA   7           HA       ALA   7   0.262   1.089  -6.040
   52    HB1  ALA   7          1HB       ALA   7  -0.245   0.383  -3.753
   53    HB2  ALA   7          2HB       ALA   7  -0.514  -0.960  -4.877
   54    HB3  ALA   7          3HB       ALA   7  -1.880  -0.033  -4.243
   55    H    ASP   8           HN       ASP   8  -0.230   1.011  -8.204
   56    HA   ASP   8           HA       ASP   8  -2.911   0.409  -9.099
   57    HB2  ASP   8          2HB       ASP   8  -1.531   1.896 -10.484
   58    HB3  ASP   8          1HB       ASP   8  -0.330   0.624 -10.682
   59    H    THR   9           HN       THR   9   0.003  -1.288  -8.419
   60    HA   THR   9           HA       THR   9  -0.477  -3.641  -9.829
   61    HB   THR   9           HB       THR   9   1.084  -4.294  -7.760
   62    HG1  THR   9          1HG       THR   9   2.271  -2.333  -7.261
   63   HG21  THR   9          1HG2      THR   9   2.988  -3.611  -9.179
   64   HG22  THR   9          2HG2      THR   9   1.905  -2.602 -10.142
   65   HG23  THR   9          3HG2      THR   9   1.718  -4.355 -10.147
   66    H    TYR  10           HN       TYR  10  -1.192  -2.511  -6.561
   67    HA   TYR  10           HA       TYR  10  -2.671  -4.933  -6.033
   68    HB2  TYR  10          2HB       TYR  10  -1.416  -3.823  -4.164
   69    HB3  TYR  10          1HB       TYR  10  -2.486  -2.433  -4.313
   70    HD1  TYR  10          1HD       TYR  10  -2.494  -6.076  -3.636
   71    HD2  TYR  10          2HD       TYR  10  -4.500  -2.379  -3.111
   72    HE1  TYR  10          1HE       TYR  10  -4.065  -7.163  -2.113
   73    HE2  TYR  10          2HE       TYR  10  -6.077  -3.425  -1.587
   74    HH   TYR  10           HH       TYR  10  -5.594  -6.642  -0.393
   75    H    LYS  11           HN       LYS  11  -4.062  -4.739  -7.765
   76    HA   LYS  11           HA       LYS  11  -5.771  -2.475  -7.953
   77    HB2  LYS  11          2HB       LYS  11  -4.773  -3.637  -9.932
   78    HB3  LYS  11          1HB       LYS  11  -5.740  -5.039  -9.528
   79    HG2  LYS  11          2HG       LYS  11  -6.680  -3.684 -11.341
   80    HG3  LYS  11          1HG       LYS  11  -7.758  -3.879  -9.952
   81    HD2  LYS  11          2HD       LYS  11  -7.769  -1.558 -10.834
   82    HD3  LYS  11          1HD       LYS  11  -7.221  -1.645  -9.172
   83    HE2  LYS  11          2HE       LYS  11  -5.795  -0.122 -10.324
   84    HE3  LYS  11          1HE       LYS  11  -4.877  -1.563  -9.993
   85    HZ1  LYS  11          1HZ       LYS  11  -6.113  -0.971 -12.640
   86    HZ2  LYS  11          2HZ       LYS  11  -5.072  -2.253 -12.304
   87    HZ3  LYS  11          3HZ       LYS  11  -4.521  -0.665 -12.219
   88    H    GLY  12           HN       GLY  12  -7.331  -2.355  -6.549
   89    HA2  GLY  12          2HA       GLY  12  -9.584  -3.665  -6.468
   90    HA3  GLY  12          1HA       GLY  12  -8.571  -4.711  -5.472
   91    HA   PRO  13           HA       PRO  13  -9.949  -0.895  -3.027
   92    HB2  PRO  13          2HB       PRO  13 -12.194  -2.399  -1.925
   93    HB3  PRO  13          1HB       PRO  13 -12.208  -0.820  -2.702
   94    HG2  PRO  13          2HG       PRO  13 -13.298  -3.011  -3.858
   95    HG3  PRO  13          1HG       PRO  13 -12.570  -1.697  -4.798
   96    HD2  PRO  13          2HD       PRO  13 -11.416  -4.361  -4.056
   97    HD3  PRO  13          1HD       PRO  13 -11.341  -3.480  -5.601
   98    H    CYS  14           HN       CYS  14  -9.699  -0.759  -0.778
   99    HA   CYS  14           HA       CYS  14  -8.323  -3.002   0.345
  100    HB2  CYS  14          2HB       CYS  14  -7.368  -0.826   0.710
  101    HB3  CYS  14          1HB       CYS  14  -8.877  -0.226   1.386
  102    H    PHE  15           HN       PHE  15  -9.742  -4.569   0.791
  103    HA   PHE  15           HA       PHE  15 -12.076  -4.036   2.426
  104    HB2  PHE  15          2HB       PHE  15 -10.916  -6.676   1.479
  105    HB3  PHE  15          1HB       PHE  15 -12.470  -6.456   2.268
  106    HD1  PHE  15          1HD       PHE  15 -10.819  -6.741  -0.820
  107    HD2  PHE  15          2HD       PHE  15 -14.125  -4.830   1.061
  108    HE1  PHE  15          1HE       PHE  15 -11.877  -6.425  -3.007
  109    HE2  PHE  15          2HE       PHE  15 -15.188  -4.511  -1.119
  110    HZ   PHE  15           HZ       PHE  15 -14.067  -5.310  -3.166
  111    H    THR  16           HN       THR  16  -8.865  -5.316   2.601
  112    HA   THR  16           HA       THR  16  -9.019  -5.279   5.515
  113    HB   THR  16           HB       THR  16  -7.456  -7.276   3.849
  114    HG1  THR  16          1HG       THR  16  -9.464  -7.992   3.643
  115   HG21  THR  16          1HG2      THR  16  -8.030  -7.173   6.822
  116   HG22  THR  16          2HG2      THR  16  -6.484  -6.802   6.061
  117   HG23  THR  16          3HG2      THR  16  -7.127  -8.442   5.994
  118    H    THR  17           HN       THR  17  -7.592  -3.802   6.227
  119    HA   THR  17           HA       THR  17  -5.779  -2.464   4.553
  120    HB   THR  17           HB       THR  17  -5.838  -2.551   7.583
  121    HG1  THR  17          1HG       THR  17  -7.505  -1.483   5.658
  122   HG21  THR  17          1HG2      THR  17  -4.883  -0.278   7.409
  123   HG22  THR  17          2HG2      THR  17  -4.867  -0.416   5.653
  124   HG23  THR  17          3HG2      THR  17  -3.828  -1.455   6.626
  125    H    GLY  18           HN       GLY  18  -5.472  -5.107   6.824
  126    HA2  GLY  18          2HA       GLY  18  -2.743  -5.371   7.045
  127    HA3  GLY  18          1HA       GLY  18  -3.882  -6.709   7.120
  128    H    SER  19           HN       SER  19  -4.843  -6.793   4.497
  129    HA   SER  19           HA       SER  19  -2.656  -8.069   3.251
  130    HB2  SER  19          2HB       SER  19  -4.384  -8.395   1.382
  131    HB3  SER  19          1HB       SER  19  -4.751  -9.107   2.953
  132    HG   SER  19           HG       SER  19  -6.538  -8.017   2.140
  133    H    CYS  20           HN       CYS  20  -4.276  -5.021   2.801
  134    HA   CYS  20           HA       CYS  20  -3.056  -4.238   0.383
  135    HB2  CYS  20          2HB       CYS  20  -4.960  -3.004   1.269
  136    HB3  CYS  20          1HB       CYS  20  -4.061  -2.595   2.723
  137    H    ASP  21           HN       ASP  21  -2.158  -3.583   3.757
  138    HA   ASP  21           HA       ASP  21   0.273  -2.283   3.253
  139    HB2  ASP  21          2HB       ASP  21  -0.806  -2.078   5.386
  140    HB3  ASP  21          1HB       ASP  21  -0.724  -3.803   5.683
  141    H    ASP  22           HN       ASP  22  -0.480  -5.633   3.888
  142    HA   ASP  22           HA       ASP  22   2.121  -6.661   3.989
  143    HB2  ASP  22          2HB       ASP  22   0.175  -7.904   4.771
  144    HB3  ASP  22          1HB       ASP  22  -0.442  -7.997   3.130
  145    H    HIS  23           HN       HIS  23  -0.102  -6.316   1.220
  146    HA   HIS  23           HA       HIS  23   1.506  -7.586  -0.684
  147    HB2  HIS  23          2HB       HIS  23  -0.893  -7.081  -1.020
  148    HB3  HIS  23          1HB       HIS  23  -0.523  -5.367  -1.066
  149    HD1  HIS  23          1HD       HIS  23  -0.603  -8.414  -3.186
  150    HD2  HIS  23          2HD       HIS  23   0.762  -4.497  -3.441
  151    HE1  HIS  23          1HE       HIS  23  -0.166  -7.992  -5.627
  152    H    CYS  24           HN       CYS  24   1.162  -4.133   0.112
  153    HA   CYS  24           HA       CYS  24   3.091  -3.392  -1.749
  154    HB2  CYS  24          2HB       CYS  24   1.901  -1.866   0.560
  155    HB3  CYS  24          1HB       CYS  24   3.123  -1.156  -0.496
  156    H    LYS  25           HN       LYS  25   3.466  -4.448   1.529
  157    HA   LYS  25           HA       LYS  25   6.203  -3.588   1.633
  158    HB2  LYS  25          2HB       LYS  25   4.594  -5.356   3.458
  159    HB3  LYS  25          1HB       LYS  25   6.280  -4.931   3.749
  160    HG2  LYS  25          2HG       LYS  25   5.758  -2.630   3.953
  161    HG3  LYS  25          1HG       LYS  25   4.122  -2.888   3.358
  162    HD2  LYS  25          2HD       LYS  25   4.085  -2.552   5.733
  163    HD3  LYS  25          1HD       LYS  25   3.620  -4.204   5.364
  164    HE2  LYS  25          2HE       LYS  25   5.817  -4.983   5.985
  165    HE3  LYS  25          1HE       LYS  25   6.357  -3.332   6.273
  166    HZ1  LYS  25          1HZ       LYS  25   4.212  -4.749   7.770
  167    HZ2  LYS  25          2HZ       LYS  25   4.675  -3.153   8.035
  168    HZ3  LYS  25          3HZ       LYS  25   5.759  -4.408   8.344
  169    H    ASN  26           HN       ASN  26   4.629  -6.708   1.027
  170    HA   ASN  26           HA       ASN  26   7.254  -7.986   0.885
  171    HB2  ASN  26          2HB       ASN  26   4.502  -9.191   0.643
  172    HB3  ASN  26          1HB       ASN  26   5.995 -10.111   0.505
  173   HD21  ASN  26          1HD2      ASN  26   3.866  -8.431   2.599
  174   HD22  ASN  26          2HD2      ASN  26   4.540  -8.960   4.080
  175    H    LYS  27           HN       LYS  27   4.617  -7.257  -1.338
  176    HA   LYS  27           HA       LYS  27   6.091  -8.554  -3.466
  177    HB2  LYS  27          2HB       LYS  27   3.746  -9.010  -3.475
  178    HB3  LYS  27          1HB       LYS  27   3.348  -7.305  -3.349
  179    HG2  LYS  27          2HG       LYS  27   2.919  -8.126  -5.581
  180    HG3  LYS  27          1HG       LYS  27   4.214  -6.930  -5.594
  181    HD2  LYS  27          2HD       LYS  27   5.849  -8.813  -5.631
  182    HD3  LYS  27          1HD       LYS  27   4.492  -9.928  -5.800
  183    HE2  LYS  27          2HE       LYS  27   5.215  -7.698  -7.707
  184    HE3  LYS  27          1HE       LYS  27   5.500  -9.411  -7.976
  185    HZ1  LYS  27          1HZ       LYS  27   3.089  -9.752  -7.927
  186    HZ2  LYS  27          2HZ       LYS  27   3.558  -8.711  -9.149
  187    HZ3  LYS  27          3HZ       LYS  27   2.839  -8.089  -7.756
  188    H    GLU  28           HN       GLU  28   4.799  -5.342  -2.750
  189    HA   GLU  28           HA       GLU  28   6.164  -4.216  -5.000
  190    HB2  GLU  28          2HB       GLU  28   4.775  -2.858  -2.693
  191    HB3  GLU  28          1HB       GLU  28   5.375  -2.059  -4.135
  192    HG2  GLU  28          2HG       GLU  28   3.257  -4.184  -4.134
  193    HG3  GLU  28          1HG       GLU  28   2.954  -2.447  -4.196
  194    H    HIS  29           HN       HIS  29   6.946  -4.905  -1.786
  195    HA   HIS  29           HA       HIS  29   8.726  -4.627  -0.447
  196    HB2  HIS  29          2HB       HIS  29  10.109  -3.965  -3.063
  197    HB3  HIS  29          1HB       HIS  29  10.965  -4.122  -1.534
  198    HD1  HIS  29          1HD       HIS  29   9.679  -6.121  -4.360
  199    HD2  HIS  29          2HD       HIS  29  10.834  -6.782  -0.419
  200    HE1  HIS  29          1HE       HIS  29  10.063  -8.589  -4.158
  201    H    LEU  30           HN       LEU  30   6.919  -2.497  -0.795
  202    HA   LEU  30           HA       LEU  30   8.463  -0.052  -0.627
  203    HB2  LEU  30          2HB       LEU  30   5.496  -0.490  -0.286
  204    HB3  LEU  30          1HB       LEU  30   6.302   1.051  -0.472
  205    HG   LEU  30           HG       LEU  30   6.066  -1.102  -2.546
  206   HD11  LEU  30          1HD1      LEU  30   4.668   0.539  -3.733
  207   HD12  LEU  30          2HD1      LEU  30   4.753   1.598  -2.323
  208   HD13  LEU  30          3HD1      LEU  30   3.977   0.023  -2.199
  209   HD21  LEU  30          1HD2      LEU  30   7.356   1.614  -2.726
  210   HD22  LEU  30          2HD2      LEU  30   7.054   0.543  -4.091
  211   HD23  LEU  30          3HD2      LEU  30   8.167   0.052  -2.817
  212    H    ARG  31           HN       ARG  31   7.449   1.413   1.210
  213    HA   ARG  31           HA       ARG  31   8.413   0.284   3.621
  214    HB2  ARG  31          2HB       ARG  31   8.861   2.584   3.132
  215    HB3  ARG  31          1HB       ARG  31   7.150   2.948   3.006
  216    HG2  ARG  31          2HG       ARG  31   6.855   2.602   5.363
  217    HG3  ARG  31          1HG       ARG  31   8.528   2.072   5.533
  218    HD2  ARG  31          2HD       ARG  31   9.321   4.254   4.891
  219    HD3  ARG  31          1HD       ARG  31   7.674   4.801   4.576
  220    HE   ARG  31           HE       ARG  31   7.719   3.906   7.158
  221   HH11  ARG  31          1HH1      ARG  31   9.567   6.387   5.438
  222   HH12  ARG  31          2HH1      ARG  31   9.503   7.522   6.704
  223   HH21  ARG  31          1HH2      ARG  31   7.729   5.419   8.939
  224   HH22  ARG  31          2HH2      ARG  31   8.470   6.947   8.756
  225    H    SER  32           HN       SER  32   5.119   1.198   2.550
  226    HA   SER  32           HA       SER  32   3.963  -0.706   4.331
  227    HB2  SER  32          2HB       SER  32   4.488   1.218   5.891
  228    HB3  SER  32          1HB       SER  32   3.464   2.249   4.902
  229    HG   SER  32           HG       SER  32   2.335  -0.132   5.870
  230    H    GLY  33           HN       GLY  33   1.524  -0.633   4.055
  231    HA2  GLY  33          2HA       GLY  33   0.724   0.772   1.598
  232    HA3  GLY  33          1HA       GLY  33   0.200  -0.874   1.920
  233    H    ARG  34           HN       ARG  34  -0.992   2.137   1.967
  234    HA   ARG  34           HA       ARG  34  -2.415   1.652   4.461
  235    HB2  ARG  34          2HB       ARG  34  -1.343   4.283   3.460
  236    HB3  ARG  34          1HB       ARG  34  -2.414   4.105   4.851
  237    HG2  ARG  34          2HG       ARG  34  -0.786   2.710   5.963
  238    HG3  ARG  34          1HG       ARG  34   0.272   2.794   4.565
  239    HD2  ARG  34          2HD       ARG  34   0.552   5.173   4.914
  240    HD3  ARG  34          1HD       ARG  34  -0.562   5.112   6.287
  241    HE   ARG  34           HE       ARG  34   1.122   3.340   7.095
  242   HH11  ARG  34          1HH1      ARG  34   2.005   6.303   5.364
  243   HH12  ARG  34          2HH1      ARG  34   3.464   6.518   6.228
  244   HH21  ARG  34          1HH2      ARG  34   3.168   3.598   8.180
  245   HH22  ARG  34          2HH2      ARG  34   4.151   4.949   7.820
  246    H    CYS  35           HN       CYS  35  -4.487   1.948   4.521
  247    HA   CYS  35           HA       CYS  35  -5.841   2.346   1.977
  248    HB2  CYS  35          2HB       CYS  35  -6.923   1.402   4.636
  249    HB3  CYS  35          1HB       CYS  35  -7.738   1.321   3.074
  250    H    ARG  36           HN       ARG  36  -6.441   4.261   1.554
  251    HA   ARG  36           HA       ARG  36  -6.776   6.222   3.664
  252    HB2  ARG  36          2HB       ARG  36  -6.823   6.427   0.676
  253    HB3  ARG  36          1HB       ARG  36  -7.058   7.804   1.751
  254    HG2  ARG  36          2HG       ARG  36  -4.593   6.079   1.645
  255    HG3  ARG  36          1HG       ARG  36  -4.763   7.647   0.849
  256    HD2  ARG  36          2HD       ARG  36  -5.240   8.612   3.118
  257    HD3  ARG  36          1HD       ARG  36  -4.799   7.050   3.799
  258    HE   ARG  36           HE       ARG  36  -2.557   7.388   2.963
  259   HH11  ARG  36          1HH1      ARG  36  -4.648  10.249   2.803
  260   HH12  ARG  36          2HH1      ARG  36  -3.359  11.343   2.919
  261   HH21  ARG  36          1HH2      ARG  36  -0.861   8.830   3.061
  262   HH22  ARG  36          2HH2      ARG  36  -1.085  10.530   3.023
  263    H    ASP  37           HN       ASP  37  -8.611   7.855   3.115
  264    HA   ASP  37           HA       ASP  37 -11.009   6.915   3.999
  265    HB2  ASP  37          2HB       ASP  37 -10.434   9.240   4.039
  266    HB3  ASP  37          1HB       ASP  37 -10.444   9.319   2.283
  267    H    ASP  38           HN       ASP  38 -10.031   7.196   0.657
  268    HA   ASP  38           HA       ASP  38 -12.670   6.506  -0.321
  269    HB2  ASP  38          2HB       ASP  38 -10.087   7.000  -1.788
  270    HB3  ASP  38          1HB       ASP  38 -11.584   6.539  -2.586
  271    H    PHE  39           HN       PHE  39 -10.569   4.636   1.130
  272    HA   PHE  39           HA       PHE  39 -10.213   2.452   1.271
  273    HB2  PHE  39          2HB       PHE  39 -12.499   2.276  -0.701
  274    HB3  PHE  39          1HB       PHE  39 -11.727   0.854  -0.005
  275    HD1  PHE  39          1HD       PHE  39 -13.853   3.759   0.667
  276    HD2  PHE  39          2HD       PHE  39 -12.056   0.268   2.283
  277    HE1  PHE  39          1HE       PHE  39 -15.291   3.941   2.639
  278    HE2  PHE  39          2HE       PHE  39 -13.496   0.442   4.274
  279    HZ   PHE  39           HZ       PHE  39 -15.115   2.285   4.456
  280    H    ARG  40           HN       ARG  40  -8.997   4.159  -0.825
  281    HA   ARG  40           HA       ARG  40  -8.002   2.102  -2.628
  282    HB2  ARG  40          2HB       ARG  40  -7.721   5.075  -2.578
  283    HB3  ARG  40          1HB       ARG  40  -6.486   4.124  -3.374
  284    HG2  ARG  40          2HG       ARG  40  -7.990   4.864  -5.034
  285    HG3  ARG  40          1HG       ARG  40  -8.272   3.144  -4.778
  286    HD2  ARG  40          2HD       ARG  40 -10.220   3.690  -3.387
  287    HD3  ARG  40          1HD       ARG  40  -9.905   5.400  -3.643
  288    HE   ARG  40           HE       ARG  40 -10.069   4.310  -6.135
  289   HH11  ARG  40          1HH1      ARG  40 -12.290   4.462  -3.358
  290   HH12  ARG  40          2HH1      ARG  40 -13.681   4.622  -4.329
  291   HH21  ARG  40          1HH2      ARG  40 -12.035   4.505  -7.434
  292   HH22  ARG  40          2HH2      ARG  40 -13.537   4.648  -6.640
  293    H    CYS  41           HN       CYS  41  -5.834   1.647  -2.776
  294    HA   CYS  41           HA       CYS  41  -4.465   1.880  -0.257
  295    HB2  CYS  41          2HB       CYS  41  -4.059   0.119  -2.642
  296    HB3  CYS  41          1HB       CYS  41  -2.839   0.262  -1.379
  297    H    TRP  42           HN       TRP  42  -3.450   3.623  -0.003
  298    HA   TRP  42           HA       TRP  42  -1.669   4.602  -2.088
  299    HB2  TRP  42          2HB       TRP  42  -3.174   5.861   0.124
  300    HB3  TRP  42          1HB       TRP  42  -1.510   6.393   0.012
  301    HD1  TRP  42          1HD       TRP  42  -0.813   7.733  -2.204
  302    HE1  TRP  42          1HE       TRP  42  -2.196   9.155  -3.836
  303    HE3  TRP  42          3HE       TRP  42  -5.499   6.066  -1.000
  304    HZ2  TRP  42          2HZ       TRP  42  -4.889   9.551  -4.506
  305    HZ3  TRP  42          3HZ       TRP  42  -7.425   7.054  -2.185
  306    HH2  TRP  42          2HH       TRP  42  -7.117   8.744  -3.896
  307    H    CYS  43           HN       CYS  43   0.142   3.525  -1.905
  308    HA   CYS  43           HA       CYS  43   0.929   2.606   0.727
  309    HB2  CYS  43          2HB       CYS  43   1.875   1.731  -2.006
  310    HB3  CYS  43          1HB       CYS  43   2.454   1.068  -0.478
  311    H    THR  44           HN       THR  44   2.847   3.006   1.614
  312    HA   THR  44           HA       THR  44   3.952   5.564   1.031
  313    HB   THR  44           HB       THR  44   4.951   3.540   3.010
  314    HG1  THR  44          1HG       THR  44   2.684   5.267   3.425
  315   HG21  THR  44          1HG2      THR  44   5.329   5.574   4.364
  316   HG22  THR  44          2HG2      THR  44   4.674   6.553   3.048
  317   HG23  THR  44          3HG2      THR  44   6.171   5.655   2.817
  318    H    LYS  45           HN       LYS  45   5.410   5.644  -0.653
  319    HA   LYS  45           HA       LYS  45   7.420   3.562  -0.672
  320    HB2  LYS  45          2HB       LYS  45   7.616   3.918  -3.143
  321    HB3  LYS  45          1HB       LYS  45   6.087   3.231  -2.624
  322    HG2  LYS  45          2HG       LYS  45   5.060   5.467  -2.852
  323    HG3  LYS  45          1HG       LYS  45   6.596   6.076  -3.463
  324    HD2  LYS  45          2HD       LYS  45   5.137   5.592  -5.337
  325    HD3  LYS  45          1HD       LYS  45   6.460   4.434  -5.324
  326    HE2  LYS  45          2HE       LYS  45   5.013   2.743  -4.326
  327    HE3  LYS  45          1HE       LYS  45   3.690   3.902  -4.220
  328    HZ1  LYS  45          1HZ       LYS  45   3.476   2.406  -6.141
  329    HZ2  LYS  45          2HZ       LYS  45   4.954   2.948  -6.729
  330    HZ3  LYS  45          3HZ       LYS  45   3.653   4.011  -6.636
  331    H    ASN  46           HN       ASN  46   9.407   4.431  -1.999
  332    HA   ASN  46           HA       ASN  46  10.180   6.834  -0.530
  333    HB2  ASN  46          2HB       ASN  46  11.843   4.581  -1.666
  334    HB3  ASN  46          1HB       ASN  46  12.535   6.066  -1.031
  335   HD21  ASN  46          1HD2      ASN  46  12.803   3.272  -0.132
  336   HD22  ASN  46          2HD2      ASN  46  12.322   3.287   1.516
  337    H    CYS  47           HN       CYS  47  10.484   8.621  -1.557
  338    HA   CYS  47           HA       CYS  47  11.311   8.502  -4.358
  339    HB2  CYS  47          2HB       CYS  47   9.360  10.433  -3.062
  340    HB3  CYS  47          1HB       CYS  47  10.114  10.746  -4.619
  Start of MODEL    6
    1    H1   LYS   1          1HT       LYS   1  12.736  10.871   0.888
    2    H2   LYS   1          2HT       LYS   1  13.115  10.013   2.279
    3    H3   LYS   1          3HT       LYS   1  13.383  11.677   2.239
    4    HA   LYS   1           HA       LYS   1  11.417  11.044   3.513
    5    HB2  LYS   1          2HB       LYS   1  10.902  12.507   0.933
    6    HB3  LYS   1          1HB       LYS   1   9.724  12.418   2.230
    7    HG2  LYS   1          2HG       LYS   1  11.342  13.523   3.713
    8    HG3  LYS   1          1HG       LYS   1  12.440  13.638   2.334
    9    HD2  LYS   1          2HD       LYS   1  10.776  14.970   1.119
   10    HD3  LYS   1          1HD       LYS   1   9.676  14.811   2.485
   11    HE2  LYS   1          2HE       LYS   1  11.230  16.027   3.902
   12    HE3  LYS   1          1HE       LYS   1  12.361  16.184   2.555
   13    HZ1  LYS   1          1HZ       LYS   1   9.626  17.350   2.692
   14    HZ2  LYS   1          2HZ       LYS   1  10.680  17.510   1.389
   15    HZ3  LYS   1          3HZ       LYS   1  11.077  18.183   2.878
   16    H    THR   2           HN       THR   2   8.932  10.842   2.709
   17    HA   THR   2           HA       THR   2   8.841   8.320   1.248
   18    HB   THR   2           HB       THR   2   6.776   7.931   2.792
   19    HG1  THR   2          1HG       THR   2   6.568   9.294   4.384
   20   HG21  THR   2          1HG2      THR   2   9.605   7.742   3.845
   21   HG22  THR   2          2HG2      THR   2   8.812   6.561   2.806
   22   HG23  THR   2          3HG2      THR   2   8.224   6.825   4.448
   23    H    CYS   3           HN       CYS   3   7.076   7.961  -0.064
   24    HA   CYS   3           HA       CYS   3   5.371  10.293  -0.609
   25    HB2  CYS   3          2HB       CYS   3   6.522   8.328  -2.589
   26    HB3  CYS   3          1HB       CYS   3   5.491   9.699  -2.967
   27    H    GLU   4           HN       GLU   4   3.290   9.802  -0.415
   28    HA   GLU   4           HA       GLU   4   2.441   7.040  -0.176
   29    HB2  GLU   4          2HB       GLU   4   1.754   8.857   1.421
   30    HB3  GLU   4          1HB       GLU   4   0.921   9.646   0.097
   31    HG2  GLU   4          2HG       GLU   4  -0.593   7.806  -0.089
   32    HG3  GLU   4          1HG       GLU   4   0.266   6.922   1.184
   33    H    ASN   5           HN       ASN   5   2.007   6.045  -2.084
   34    HA   ASN   5           HA       ASN   5   0.636   7.545  -4.220
   35    HB2  ASN   5          2HB       ASN   5   3.057   7.533  -4.720
   36    HB3  ASN   5          1HB       ASN   5   3.086   5.785  -4.559
   37   HD21  ASN   5          1HD2      ASN   5   2.261   4.513  -6.246
   38   HD22  ASN   5          2HD2      ASN   5   1.902   5.159  -7.785
   39    H    LEU   6           HN       LEU   6  -0.633   6.206  -5.612
   40    HA   LEU   6           HA       LEU   6  -1.902   4.088  -4.312
   41    HB2  LEU   6          2HB       LEU   6  -2.006   5.028  -7.151
   42    HB3  LEU   6          1HB       LEU   6  -2.951   3.670  -6.581
   43    HG   LEU   6           HG       LEU   6  -3.148   6.458  -5.430
   44   HD11  LEU   6          1HD1      LEU   6  -4.977   4.989  -7.310
   45   HD12  LEU   6          2HD1      LEU   6  -3.942   6.352  -7.750
   46   HD13  LEU   6          3HD1      LEU   6  -5.261   6.571  -6.591
   47   HD21  LEU   6          1HD2      LEU   6  -4.772   3.965  -5.072
   48   HD22  LEU   6          2HD2      LEU   6  -5.195   5.558  -4.450
   49   HD23  LEU   6          3HD2      LEU   6  -3.757   4.739  -3.853
   50    H    ALA   7           HN       ALA   7  -1.850   2.017  -4.394
   51    HA   ALA   7           HA       ALA   7   0.486   0.653  -5.279
   52    HB1  ALA   7          1HB       ALA   7  -0.780  -0.036  -3.310
   53    HB2  ALA   7          2HB       ALA   7  -0.699  -1.352  -4.489
   54    HB3  ALA   7          3HB       ALA   7  -2.176  -0.394  -4.322
   55    H    ASP   8           HN       ASP   8   0.713  -0.705  -7.063
   56    HA   ASP   8           HA       ASP   8  -1.273  -0.139  -9.136
   57    HB2  ASP   8          2HB       ASP   8   0.945   0.640  -9.712
   58    HB3  ASP   8          1HB       ASP   8   1.616  -0.958  -9.404
   59    H    THR   9           HN       THR   9   0.711  -2.842  -7.852
   60    HA   THR   9           HA       THR   9  -0.582  -4.663  -9.584
   61    HB   THR   9           HB       THR   9   0.981  -5.370  -7.103
   62    HG1  THR   9          1HG       THR   9   2.458  -4.244  -8.001
   63   HG21  THR   9          1HG2      THR   9   1.618  -7.276  -8.450
   64   HG22  THR   9          2HG2      THR   9   0.697  -6.617  -9.812
   65   HG23  THR   9          3HG2      THR   9  -0.145  -7.145  -8.349
   66    H    TYR  10           HN       TYR  10  -1.313  -3.307  -6.526
   67    HA   TYR  10           HA       TYR  10  -2.979  -5.426  -5.579
   68    HB2  TYR  10          2HB       TYR  10  -1.963  -3.759  -4.032
   69    HB3  TYR  10          1HB       TYR  10  -2.950  -2.502  -4.767
   70    HD1  TYR  10          1HD       TYR  10  -2.935  -5.375  -2.494
   71    HD2  TYR  10          2HD       TYR  10  -5.347  -2.381  -4.301
   72    HE1  TYR  10          1HE       TYR  10  -4.713  -5.842  -0.872
   73    HE2  TYR  10          2HE       TYR  10  -7.137  -2.833  -2.704
   74    HH   TYR  10           HH       TYR  10  -7.893  -4.509  -1.246
   75    H    LYS  11           HN       LYS  11  -5.019  -5.813  -6.111
   76    HA   LYS  11           HA       LYS  11  -6.396  -3.874  -7.840
   77    HB2  LYS  11          2HB       LYS  11  -6.507  -6.874  -7.808
   78    HB3  LYS  11          1HB       LYS  11  -7.544  -5.854  -8.793
   79    HG2  LYS  11          2HG       LYS  11  -5.703  -5.063 -10.070
   80    HG3  LYS  11          1HG       LYS  11  -4.546  -5.803  -8.965
   81    HD2  LYS  11          2HD       LYS  11  -6.532  -7.309 -10.660
   82    HD3  LYS  11          1HD       LYS  11  -4.831  -7.079 -11.070
   83    HE2  LYS  11          2HE       LYS  11  -4.272  -8.179  -8.866
   84    HE3  LYS  11          1HE       LYS  11  -5.978  -8.585  -8.718
   85    HZ1  LYS  11          1HZ       LYS  11  -4.716 -10.403  -9.639
   86    HZ2  LYS  11          2HZ       LYS  11  -4.170  -9.439 -10.890
   87    HZ3  LYS  11          3HZ       LYS  11  -5.817  -9.830 -10.780
   88    H    GLY  12           HN       GLY  12  -8.432  -3.338  -7.353
   89    HA2  GLY  12          2HA       GLY  12 -10.550  -3.670  -6.425
   90    HA3  GLY  12          1HA       GLY  12  -9.863  -4.862  -5.327
   91    HA   PRO  13           HA       PRO  13 -10.087  -0.869  -3.013
   92    HB2  PRO  13          2HB       PRO  13 -12.194  -1.846  -1.354
   93    HB3  PRO  13          1HB       PRO  13 -12.292  -0.551  -2.543
   94    HG2  PRO  13          2HG       PRO  13 -13.575  -3.010  -2.738
   95    HG3  PRO  13          1HG       PRO  13 -13.279  -1.901  -4.084
   96    HD2  PRO  13          2HD       PRO  13 -11.786  -4.357  -3.279
   97    HD3  PRO  13          1HD       PRO  13 -12.116  -3.719  -4.904
   98    H    CYS  14           HN       CYS  14  -9.698  -0.645  -0.711
   99    HA   CYS  14           HA       CYS  14  -8.211  -2.889   0.328
  100    HB2  CYS  14          2HB       CYS  14  -7.154  -0.733   0.498
  101    HB3  CYS  14          1HB       CYS  14  -8.557  -0.068   1.332
  102    H    PHE  15           HN       PHE  15  -9.423  -4.392   1.234
  103    HA   PHE  15           HA       PHE  15 -11.682  -3.651   2.901
  104    HB2  PHE  15          2HB       PHE  15 -10.560  -6.398   2.281
  105    HB3  PHE  15          1HB       PHE  15 -12.103  -6.047   3.047
  106    HD1  PHE  15          1HD       PHE  15 -10.516  -6.830   0.021
  107    HD2  PHE  15          2HD       PHE  15 -13.707  -4.530   1.633
  108    HE1  PHE  15          1HE       PHE  15 -11.595  -6.788  -2.180
  109    HE2  PHE  15          2HE       PHE  15 -14.797  -4.491  -0.563
  110    HZ   PHE  15           HZ       PHE  15 -13.740  -5.622  -2.475
  111    H    THR  16           HN       THR  16  -8.732  -5.586   3.121
  112    HA   THR  16           HA       THR  16  -8.629  -5.100   6.002
  113    HB   THR  16           HB       THR  16  -7.099  -7.132   4.389
  114    HG1  THR  16          1HG       THR  16  -9.731  -7.074   5.237
  115   HG21  THR  16          1HG2      THR  16  -6.240  -6.666   6.642
  116   HG22  THR  16          2HG2      THR  16  -6.914  -8.293   6.560
  117   HG23  THR  16          3HG2      THR  16  -7.830  -6.999   7.327
  118    H    THR  17           HN       THR  17  -7.326  -3.408   6.390
  119    HA   THR  17           HA       THR  17  -5.567  -2.366   4.487
  120    HB   THR  17           HB       THR  17  -6.556  -0.914   6.209
  121    HG1  THR  17          1HG       THR  17  -4.034  -0.916   5.418
  122   HG21  THR  17          1HG2      THR  17  -6.439  -2.418   8.152
  123   HG22  THR  17          2HG2      THR  17  -5.646  -0.884   8.508
  124   HG23  THR  17          3HG2      THR  17  -4.680  -2.309   8.132
  125    H    GLY  18           HN       GLY  18  -5.061  -4.639   7.060
  126    HA2  GLY  18          2HA       GLY  18  -2.265  -4.599   7.150
  127    HA3  GLY  18          1HA       GLY  18  -3.302  -5.950   7.599
  128    H    SER  19           HN       SER  19  -4.516  -6.422   5.110
  129    HA   SER  19           HA       SER  19  -2.513  -7.971   3.855
  130    HB2  SER  19          2HB       SER  19  -5.288  -7.275   2.881
  131    HB3  SER  19          1HB       SER  19  -4.285  -8.617   2.320
  132    HG   SER  19           HG       SER  19  -4.286  -9.287   4.601
  133    H    CYS  20           HN       CYS  20  -4.110  -4.926   3.081
  134    HA   CYS  20           HA       CYS  20  -2.959  -4.459   0.566
  135    HB2  CYS  20          2HB       CYS  20  -4.814  -3.112   1.358
  136    HB3  CYS  20          1HB       CYS  20  -3.879  -2.566   2.743
  137    H    ASP  21           HN       ASP  21  -1.931  -3.540   3.822
  138    HA   ASP  21           HA       ASP  21   0.448  -2.220   3.234
  139    HB2  ASP  21          2HB       ASP  21  -0.567  -2.065   5.407
  140    HB3  ASP  21          1HB       ASP  21  -0.456  -3.802   5.639
  141    H    ASP  22           HN       ASP  22  -0.179  -5.586   3.978
  142    HA   ASP  22           HA       ASP  22   2.459  -6.536   3.837
  143    HB2  ASP  22          2HB       ASP  22   0.601  -7.799   4.831
  144    HB3  ASP  22          1HB       ASP  22  -0.104  -8.005   3.239
  145    H    HIS  23           HN       HIS  23  -0.056  -6.277   1.341
  146    HA   HIS  23           HA       HIS  23   1.388  -7.563  -0.700
  147    HB2  HIS  23          2HB       HIS  23  -1.050  -7.182  -0.865
  148    HB3  HIS  23          1HB       HIS  23  -0.780  -5.447  -0.936
  149    HD1  HIS  23          1HD       HIS  23  -0.778  -8.526  -3.102
  150    HD2  HIS  23          2HD       HIS  23   0.249  -4.505  -3.388
  151    HE1  HIS  23          1HE       HIS  23  -0.497  -8.063  -5.526
  152    H    CYS  24           HN       CYS  24   1.113  -4.145   0.191
  153    HA   CYS  24           HA       CYS  24   2.799  -3.362  -1.879
  154    HB2  CYS  24          2HB       CYS  24   1.895  -1.882   0.573
  155    HB3  CYS  24          1HB       CYS  24   2.931  -1.151  -0.658
  156    H    LYS  25           HN       LYS  25   3.531  -4.412   1.348
  157    HA   LYS  25           HA       LYS  25   6.267  -3.596   1.232
  158    HB2  LYS  25          2HB       LYS  25   4.809  -5.595   2.946
  159    HB3  LYS  25          1HB       LYS  25   6.536  -5.306   3.094
  160    HG2  LYS  25          2HG       LYS  25   6.177  -3.048   3.752
  161    HG3  LYS  25          1HG       LYS  25   4.458  -3.156   3.364
  162    HD2  LYS  25          2HD       LYS  25   4.105  -4.733   5.149
  163    HD3  LYS  25          1HD       LYS  25   5.839  -4.803   5.478
  164    HE2  LYS  25          2HE       LYS  25   5.868  -2.565   6.255
  165    HE3  LYS  25          1HE       LYS  25   4.248  -2.261   5.636
  166    HZ1  LYS  25          1HZ       LYS  25   3.332  -3.695   7.217
  167    HZ2  LYS  25          2HZ       LYS  25   4.295  -2.584   8.040
  168    HZ3  LYS  25          3HZ       LYS  25   4.836  -4.185   7.826
  169    H    ASN  26           HN       ASN  26   4.548  -6.546   0.425
  170    HA   ASN  26           HA       ASN  26   7.022  -7.927  -0.156
  171    HB2  ASN  26          2HB       ASN  26   4.166  -8.840  -0.218
  172    HB3  ASN  26          1HB       ASN  26   5.486  -9.831  -0.828
  173   HD21  ASN  26          1HD2      ASN  26   4.045  -8.413   1.975
  174   HD22  ASN  26          2HD2      ASN  26   4.911  -9.359   3.124
  175    H    LYS  27           HN       LYS  27   4.109  -7.238  -2.090
  176    HA   LYS  27           HA       LYS  27   5.527  -8.106  -4.429
  177    HB2  LYS  27          2HB       LYS  27   3.191  -8.696  -4.258
  178    HB3  LYS  27          1HB       LYS  27   2.735  -7.011  -4.089
  179    HG2  LYS  27          2HG       LYS  27   2.257  -7.864  -6.339
  180    HG3  LYS  27          1HG       LYS  27   3.437  -6.553  -6.373
  181    HD2  LYS  27          2HD       LYS  27   5.242  -8.246  -6.484
  182    HD3  LYS  27          1HD       LYS  27   4.014  -9.509  -6.581
  183    HE2  LYS  27          2HE       LYS  27   4.883  -8.970  -8.777
  184    HE3  LYS  27          1HE       LYS  27   3.186  -8.523  -8.656
  185    HZ1  LYS  27          1HZ       LYS  27   3.864  -6.180  -8.390
  186    HZ2  LYS  27          2HZ       LYS  27   4.547  -6.829  -9.780
  187    HZ3  LYS  27          3HZ       LYS  27   5.487  -6.630  -8.435
  188    H    GLU  28           HN       GLU  28   4.244  -5.083  -3.206
  189    HA   GLU  28           HA       GLU  28   5.193  -3.696  -5.531
  190    HB2  GLU  28          2HB       GLU  28   4.168  -2.477  -2.957
  191    HB3  GLU  28          1HB       GLU  28   4.422  -1.645  -4.475
  192    HG2  GLU  28          2HG       GLU  28   2.435  -3.873  -4.070
  193    HG3  GLU  28          1HG       GLU  28   2.051  -2.152  -4.098
  194    H    HIS  29           HN       HIS  29   6.577  -4.714  -2.666
  195    HA   HIS  29           HA       HIS  29   8.575  -4.449  -1.632
  196    HB2  HIS  29          2HB       HIS  29   9.359  -3.460  -4.388
  197    HB3  HIS  29          1HB       HIS  29  10.519  -3.643  -3.081
  198    HD1  HIS  29          1HD       HIS  29  11.660  -5.892  -3.006
  199    HD2  HIS  29          2HD       HIS  29   8.044  -6.008  -5.035
  200    HE1  HIS  29          1HE       HIS  29  11.487  -8.206  -3.952
  201    H    LEU  30           HN       LEU  30   6.661  -2.370  -1.408
  202    HA   LEU  30           HA       LEU  30   8.247   0.066  -1.272
  203    HB2  LEU  30          2HB       LEU  30   5.294  -0.365  -0.793
  204    HB3  LEU  30          1HB       LEU  30   6.106   1.185  -0.819
  205    HG   LEU  30           HG       LEU  30   5.684  -0.680  -3.141
  206   HD11  LEU  30          1HD1      LEU  30   3.715   0.563  -2.548
  207   HD12  LEU  30          2HD1      LEU  30   4.377   1.166  -4.067
  208   HD13  LEU  30          3HD1      LEU  30   4.623   2.073  -2.575
  209   HD21  LEU  30          1HD2      LEU  30   7.215   1.917  -3.044
  210   HD22  LEU  30          2HD2      LEU  30   6.734   1.087  -4.521
  211   HD23  LEU  30          3HD2      LEU  30   7.858   0.315  -3.406
  212    H    ARG  31           HN       ARG  31   7.068   1.349   0.847
  213    HA   ARG  31           HA       ARG  31   8.494  -0.008   2.962
  214    HB2  ARG  31          2HB       ARG  31   8.794   2.410   2.415
  215    HB3  ARG  31          1HB       ARG  31   7.154   2.692   2.967
  216    HG2  ARG  31          2HG       ARG  31   7.773   2.002   5.214
  217    HG3  ARG  31          1HG       ARG  31   9.417   1.653   4.667
  218    HD2  ARG  31          2HD       ARG  31   9.576   4.020   3.901
  219    HD3  ARG  31          1HD       ARG  31   8.023   4.319   4.670
  220    HE   ARG  31           HE       ARG  31   9.272   3.474   6.753
  221   HH11  ARG  31          1HH1      ARG  31  10.868   5.280   4.107
  222   HH12  ARG  31          2HH1      ARG  31  11.876   6.158   5.157
  223   HH21  ARG  31          1HH2      ARG  31  10.710   4.733   8.163
  224   HH22  ARG  31          2HH2      ARG  31  11.774   5.870   7.482
  225    H    SER  32           HN       SER  32   5.185   1.162   2.325
  226    HA   SER  32           HA       SER  32   4.096  -0.835   4.025
  227    HB2  SER  32          2HB       SER  32   2.914   0.899   5.479
  228    HB3  SER  32          1HB       SER  32   4.628   0.632   5.810
  229    HG   SER  32           HG       SER  32   4.746   2.663   5.605
  230    H    GLY  33           HN       GLY  33   1.608  -0.363   4.208
  231    HA2  GLY  33          2HA       GLY  33   0.680   1.027   1.818
  232    HA3  GLY  33          1HA       GLY  33   0.177  -0.633   2.090
  233    H    ARG  34           HN       ARG  34  -1.043   2.281   2.265
  234    HA   ARG  34           HA       ARG  34  -2.530   1.623   4.654
  235    HB2  ARG  34          2HB       ARG  34  -2.538   4.001   5.337
  236    HB3  ARG  34          1HB       ARG  34  -0.942   3.278   5.388
  237    HG2  ARG  34          2HG       ARG  34  -0.450   4.318   3.221
  238    HG3  ARG  34          1HG       ARG  34  -2.002   5.168   3.295
  239    HD2  ARG  34          2HD       ARG  34   0.350   5.420   5.178
  240    HD3  ARG  34          1HD       ARG  34  -0.289   6.658   4.099
  241    HE   ARG  34           HE       ARG  34  -2.327   5.876   5.824
  242   HH11  ARG  34          1HH1      ARG  34   0.652   7.755   5.863
  243   HH12  ARG  34          2HH1      ARG  34   0.300   8.544   7.340
  244   HH21  ARG  34          1HH2      ARG  34  -2.817   6.969   7.845
  245   HH22  ARG  34          2HH2      ARG  34  -1.694   8.095   8.476
  246    H    CYS  35           HN       CYS  35  -4.637   2.467   4.714
  247    HA   CYS  35           HA       CYS  35  -5.641   2.805   1.983
  248    HB2  CYS  35          2HB       CYS  35  -7.059   1.585   4.350
  249    HB3  CYS  35          1HB       CYS  35  -7.559   1.542   2.658
  250    H    ARG  36           HN       ARG  36  -6.497   4.649   1.566
  251    HA   ARG  36           HA       ARG  36  -7.169   6.471   3.717
  252    HB2  ARG  36          2HB       ARG  36  -7.048   6.784   0.729
  253    HB3  ARG  36          1HB       ARG  36  -7.585   8.092   1.784
  254    HG2  ARG  36          2HG       ARG  36  -4.849   6.789   1.746
  255    HG3  ARG  36          1HG       ARG  36  -5.251   8.404   1.156
  256    HD2  ARG  36          2HD       ARG  36  -5.942   9.024   3.460
  257    HD3  ARG  36          1HD       ARG  36  -5.456   7.424   3.993
  258    HE   ARG  36           HE       ARG  36  -3.260   8.642   2.743
  259   HH11  ARG  36          1HH1      ARG  36  -5.240   8.939   5.668
  260   HH12  ARG  36          2HH1      ARG  36  -4.016   9.581   6.642
  261   HH21  ARG  36          1HH2      ARG  36  -1.545   9.472   4.025
  262   HH22  ARG  36          2HH2      ARG  36  -1.785   9.959   5.637
  263    H    ASP  37           HN       ASP  37  -9.246   7.879   3.184
  264    HA   ASP  37           HA       ASP  37 -11.453   6.187   3.725
  265    HB2  ASP  37          2HB       ASP  37 -11.205   8.570   4.499
  266    HB3  ASP  37          1HB       ASP  37 -11.557   9.084   2.858
  267    H    ASP  38           HN       ASP  38 -10.087   7.217   0.876
  268    HA   ASP  38           HA       ASP  38 -12.161   7.018  -1.028
  269    HB2  ASP  38          2HB       ASP  38  -9.236   6.408  -1.207
  270    HB3  ASP  38          1HB       ASP  38 -10.290   6.576  -2.598
  271    H    PHE  39           HN       PHE  39 -10.547   4.685   0.909
  272    HA   PHE  39           HA       PHE  39 -10.496   2.475   1.110
  273    HB2  PHE  39          2HB       PHE  39 -12.732   2.513  -0.932
  274    HB3  PHE  39          1HB       PHE  39 -12.163   1.040  -0.154
  275    HD1  PHE  39          1HD       PHE  39 -14.159   4.035   0.154
  276    HD2  PHE  39          2HD       PHE  39 -12.508   0.739   2.277
  277    HE1  PHE  39          1HE       PHE  39 -15.721   4.442   2.000
  278    HE2  PHE  39          2HE       PHE  39 -14.070   1.148   4.124
  279    HZ   PHE  39           HZ       PHE  39 -15.679   3.001   3.989
  280    H    ARG  40           HN       ARG  40  -9.079   3.984  -1.014
  281    HA   ARG  40           HA       ARG  40  -8.338   1.770  -2.796
  282    HB2  ARG  40          2HB       ARG  40  -9.093   4.149  -3.600
  283    HB3  ARG  40          1HB       ARG  40  -7.501   4.652  -3.072
  284    HG2  ARG  40          2HG       ARG  40  -7.404   4.284  -5.414
  285    HG3  ARG  40          1HG       ARG  40  -6.539   2.960  -4.631
  286    HD2  ARG  40          2HD       ARG  40  -8.454   1.495  -4.913
  287    HD3  ARG  40          1HD       ARG  40  -9.395   2.821  -5.582
  288    HE   ARG  40           HE       ARG  40  -7.244   2.711  -7.198
  289   HH11  ARG  40          1HH1      ARG  40  -9.523   0.211  -6.169
  290   HH12  ARG  40          2HH1      ARG  40  -9.463  -0.639  -7.644
  291   HH21  ARG  40          1HH2      ARG  40  -7.181   1.569  -9.205
  292   HH22  ARG  40          2HH2      ARG  40  -8.116   0.162  -9.428
  293    H    CYS  41           HN       CYS  41  -6.061   1.217  -2.883
  294    HA   CYS  41           HA       CYS  41  -4.738   1.709  -0.397
  295    HB2  CYS  41          2HB       CYS  41  -4.229  -0.156  -2.660
  296    HB3  CYS  41          1HB       CYS  41  -2.984   0.160  -1.453
  297    H    TRP  42           HN       TRP  42  -3.510   3.295  -0.002
  298    HA   TRP  42           HA       TRP  42  -1.773   4.363  -2.090
  299    HB2  TRP  42          2HB       TRP  42  -3.192   5.562   0.211
  300    HB3  TRP  42          1HB       TRP  42  -1.526   6.077   0.020
  301    HD1  TRP  42          1HD       TRP  42  -0.954   7.570  -2.144
  302    HE1  TRP  42          1HE       TRP  42  -2.437   8.991  -3.687
  303    HE3  TRP  42          3HE       TRP  42  -5.511   5.644  -0.894
  304    HZ2  TRP  42          2HZ       TRP  42  -5.160   9.269  -4.290
  305    HZ3  TRP  42          3HZ       TRP  42  -7.504   6.561  -2.009
  306    HH2  TRP  42          2HH       TRP  42  -7.326   8.330  -3.667
  307    H    CYS  43           HN       CYS  43   0.196   3.577  -1.946
  308    HA   CYS  43           HA       CYS  43   0.997   2.604   0.656
  309    HB2  CYS  43          2HB       CYS  43   1.733   1.551  -2.069
  310    HB3  CYS  43          1HB       CYS  43   2.380   0.944  -0.539
  311    H    THR  44           HN       THR  44   2.936   2.979   1.429
  312    HA   THR  44           HA       THR  44   4.050   5.499   0.721
  313    HB   THR  44           HB       THR  44   5.114   3.580   2.766
  314    HG1  THR  44          1HG       THR  44   3.381   3.754   3.911
  315   HG21  THR  44          1HG2      THR  44   5.496   5.659   4.014
  316   HG22  THR  44          2HG2      THR  44   4.748   6.581   2.709
  317   HG23  THR  44          3HG2      THR  44   6.264   5.724   2.427
  318    H    LYS  45           HN       LYS  45   5.574   5.596  -0.841
  319    HA   LYS  45           HA       LYS  45   7.530   3.420  -0.978
  320    HB2  LYS  45          2HB       LYS  45   8.013   4.073  -3.281
  321    HB3  LYS  45          1HB       LYS  45   6.299   3.768  -3.095
  322    HG2  LYS  45          2HG       LYS  45   5.906   6.201  -3.021
  323    HG3  LYS  45          1HG       LYS  45   7.633   6.461  -3.297
  324    HD2  LYS  45          2HD       LYS  45   7.454   5.155  -5.398
  325    HD3  LYS  45          1HD       LYS  45   5.721   5.009  -5.132
  326    HE2  LYS  45          2HE       LYS  45   6.084   6.768  -6.703
  327    HE3  LYS  45          1HE       LYS  45   5.575   7.500  -5.183
  328    HZ1  LYS  45          1HZ       LYS  45   7.378   8.735  -6.139
  329    HZ2  LYS  45          2HZ       LYS  45   8.346   7.363  -6.250
  330    HZ3  LYS  45          3HZ       LYS  45   7.991   7.985  -4.749
  331    H    ASN  46           HN       ASN  46   9.719   3.976  -1.114
  332    HA   ASN  46           HA       ASN  46  10.289   6.320   0.474
  333    HB2  ASN  46          2HB       ASN  46  12.022   4.049  -0.472
  334    HB3  ASN  46          1HB       ASN  46  12.664   5.435   0.397
  335   HD21  ASN  46          1HD2      ASN  46  12.559   2.601   1.085
  336   HD22  ASN  46          2HD2      ASN  46  11.790   2.509   2.625
  337    H    CYS  47           HN       CYS  47  11.033   8.153  -0.222
  338    HA   CYS  47           HA       CYS  47  12.151   8.315  -2.917
  339    HB2  CYS  47          2HB       CYS  47  10.412  10.373  -1.535
  340    HB3  CYS  47          1HB       CYS  47  11.072  10.488  -3.159
  Start of MODEL    7
    1    H1   LYS   1          1HT       LYS   1  14.001   9.189  -0.150
    2    H2   LYS   1          2HT       LYS   1  14.490  10.773   0.213
    3    H3   LYS   1          3HT       LYS   1  13.123  10.455  -0.755
    4    HA   LYS   1           HA       LYS   1  13.351   9.488   2.000
    5    HB2  LYS   1          2HB       LYS   1  11.985  11.338   2.770
    6    HB3  LYS   1          1HB       LYS   1  13.360  12.015   1.936
    7    HG2  LYS   1          2HG       LYS   1  11.977  12.516   0.007
    8    HG3  LYS   1          1HG       LYS   1  10.593  11.735   0.782
    9    HD2  LYS   1          2HD       LYS   1  10.886  13.363   2.688
   10    HD3  LYS   1          1HD       LYS   1  12.045  14.218   1.671
   11    HE2  LYS   1          2HE       LYS   1   9.870  15.270   1.519
   12    HE3  LYS   1          1HE       LYS   1  10.288  14.527  -0.025
   13    HZ1  LYS   1          1HZ       LYS   1   8.843  12.660   0.510
   14    HZ2  LYS   1          2HZ       LYS   1   7.997  14.091   0.596
   15    HZ3  LYS   1          3HZ       LYS   1   8.470  13.325   2.013
   16    H    THR   2           HN       THR   2  10.515   9.901   2.414
   17    HA   THR   2           HA       THR   2   9.598   7.899   0.510
   18    HB   THR   2           HB       THR   2   7.757   7.561   2.184
   19    HG1  THR   2          1HG       THR   2   8.526   9.716   3.221
   20   HG21  THR   2          1HG2      THR   2  10.616   7.079   2.992
   21   HG22  THR   2          2HG2      THR   2   9.613   6.024   1.998
   22   HG23  THR   2          3HG2      THR   2   9.226   6.267   3.708
   23    H    CYS   3           HN       CYS   3   7.643   8.031  -0.480
   24    HA   CYS   3           HA       CYS   3   6.012  10.406  -0.185
   25    HB2  CYS   3          2HB       CYS   3   5.741  10.267  -2.761
   26    HB3  CYS   3          1HB       CYS   3   7.200  11.029  -2.137
   27    H    GLU   4           HN       GLU   4   3.777   9.934  -0.739
   28    HA   GLU   4           HA       GLU   4   3.336   7.046  -0.703
   29    HB2  GLU   4          2HB       GLU   4   2.733   8.178   1.396
   30    HB3  GLU   4          1HB       GLU   4   1.665   9.249   0.507
   31    HG2  GLU   4          2HG       GLU   4   0.219   7.429  -0.050
   32    HG3  GLU   4          1HG       GLU   4   1.338   6.267   0.666
   33    H    ASN   5           HN       ASN   5   2.178   6.204  -2.282
   34    HA   ASN   5           HA       ASN   5   0.566   7.937  -3.976
   35    HB2  ASN   5          2HB       ASN   5   2.884   7.943  -4.925
   36    HB3  ASN   5          1HB       ASN   5   2.830   6.191  -5.015
   37   HD21  ASN   5          1HD2      ASN   5   1.745   5.227  -6.721
   38   HD22  ASN   5          2HD2      ASN   5   1.095   6.125  -8.034
   39    H    LEU   6           HN       LEU   6  -0.822   6.617  -5.389
   40    HA   LEU   6           HA       LEU   6  -2.046   4.499  -4.107
   41    HB2  LEU   6          2HB       LEU   6  -2.091   5.434  -6.944
   42    HB3  LEU   6          1HB       LEU   6  -2.980   4.008  -6.451
   43    HG   LEU   6           HG       LEU   6  -3.387   6.762  -5.277
   44   HD11  LEU   6          1HD1      LEU   6  -5.024   5.199  -7.269
   45   HD12  LEU   6          2HD1      LEU   6  -4.097   6.665  -7.621
   46   HD13  LEU   6          3HD1      LEU   6  -5.478   6.727  -6.520
   47   HD21  LEU   6          1HD2      LEU   6  -4.861   4.167  -4.999
   48   HD22  LEU   6          2HD2      LEU   6  -5.406   5.724  -4.384
   49   HD23  LEU   6          3HD2      LEU   6  -3.943   4.994  -3.737
   50    H    ALA   7           HN       ALA   7  -1.894   2.417  -4.120
   51    HA   ALA   7           HA       ALA   7   0.437   1.086  -4.991
   52    HB1  ALA   7          1HB       ALA   7  -2.256   0.009  -4.184
   53    HB2  ALA   7          2HB       ALA   7  -0.913   0.350  -3.101
   54    HB3  ALA   7          3HB       ALA   7  -0.771  -0.942  -4.302
   55    H    ASP   8           HN       ASP   8   0.832   0.075  -6.876
   56    HA   ASP   8           HA       ASP   8  -1.024   0.615  -9.016
   57    HB2  ASP   8          2HB       ASP   8   1.790  -0.465  -9.058
   58    HB3  ASP   8          1HB       ASP   8   0.807  -0.262 -10.500
   59    H    THR   9           HN       THR   9   0.601  -2.353  -7.737
   60    HA   THR   9           HA       THR   9  -0.903  -3.958  -9.496
   61    HB   THR   9           HB       THR   9   0.622  -4.749  -7.015
   62    HG1  THR   9          1HG       THR   9   2.203  -3.986  -8.072
   63   HG21  THR   9          1HG2      THR   9   0.928  -6.849  -8.217
   64   HG22  THR   9          2HG2      THR   9  -0.027  -6.204  -9.565
   65   HG23  THR   9          3HG2      THR   9  -0.791  -6.486  -7.995
   66    H    TYR  10           HN       TYR  10  -1.424  -2.636  -6.347
   67    HA   TYR  10           HA       TYR  10  -3.487  -4.544  -5.759
   68    HB2  TYR  10          2HB       TYR  10  -2.100  -3.526  -3.916
   69    HB3  TYR  10          1HB       TYR  10  -2.900  -1.993  -4.235
   70    HD1  TYR  10          1HD       TYR  10  -5.392  -1.842  -3.866
   71    HD2  TYR  10          2HD       TYR  10  -3.116  -5.164  -2.542
   72    HE1  TYR  10          1HE       TYR  10  -7.196  -2.440  -2.332
   73    HE2  TYR  10          2HE       TYR  10  -4.919  -5.795  -0.994
   74    HH   TYR  10           HH       TYR  10  -8.031  -4.423  -1.205
   75    H    LYS  11           HN       LYS  11  -4.606  -4.161  -7.694
   76    HA   LYS  11           HA       LYS  11  -6.232  -1.777  -7.807
   77    HB2  LYS  11          2HB       LYS  11  -6.285  -4.323  -9.416
   78    HB3  LYS  11          1HB       LYS  11  -7.200  -2.865  -9.772
   79    HG2  LYS  11          2HG       LYS  11  -5.220  -1.644 -10.239
   80    HG3  LYS  11          1HG       LYS  11  -4.205  -2.972  -9.666
   81    HD2  LYS  11          2HD       LYS  11  -5.072  -4.388 -11.449
   82    HD3  LYS  11          1HD       LYS  11  -6.074  -3.051 -12.012
   83    HE2  LYS  11          2HE       LYS  11  -4.013  -3.434 -13.243
   84    HE3  LYS  11          1HE       LYS  11  -4.141  -1.772 -12.621
   85    HZ1  LYS  11          1HZ       LYS  11  -2.585  -2.491 -10.837
   86    HZ2  LYS  11          2HZ       LYS  11  -1.939  -2.663 -12.373
   87    HZ3  LYS  11          3HZ       LYS  11  -2.482  -4.024 -11.567
   88    H    GLY  12           HN       GLY  12  -7.737  -1.722  -6.258
   89    HA2  GLY  12          2HA       GLY  12 -10.033  -3.000  -6.312
   90    HA3  GLY  12          1HA       GLY  12  -9.038  -4.131  -5.396
   91    HA   PRO  13           HA       PRO  13 -10.402  -0.791  -2.504
   92    HB2  PRO  13          2HB       PRO  13 -12.543  -2.390  -1.449
   93    HB3  PRO  13          1HB       PRO  13 -12.668  -0.849  -2.301
   94    HG2  PRO  13          2HG       PRO  13 -13.571  -3.253  -3.300
   95    HG3  PRO  13          1HG       PRO  13 -13.135  -1.855  -4.299
   96    HD2  PRO  13          2HD       PRO  13 -11.537  -4.295  -3.637
   97    HD3  PRO  13          1HD       PRO  13 -11.685  -3.434  -5.187
   98    H    CYS  14           HN       CYS  14  -9.942  -0.883  -0.361
   99    HA   CYS  14           HA       CYS  14  -8.597  -3.259   0.553
  100    HB2  CYS  14          2HB       CYS  14  -7.434  -1.206   0.888
  101    HB3  CYS  14          1HB       CYS  14  -8.839  -0.486   1.672
  102    H    PHE  15           HN       PHE  15  -9.729  -4.741   1.508
  103    HA   PHE  15           HA       PHE  15 -11.991  -3.999   3.205
  104    HB2  PHE  15          2HB       PHE  15 -11.105  -6.735   2.243
  105    HB3  PHE  15          1HB       PHE  15 -12.573  -6.385   3.151
  106    HD1  PHE  15          1HD       PHE  15 -11.092  -6.632  -0.087
  107    HD2  PHE  15          2HD       PHE  15 -14.285  -4.836   2.084
  108    HE1  PHE  15          1HE       PHE  15 -12.275  -6.208  -2.183
  109    HE2  PHE  15          2HE       PHE  15 -15.475  -4.418  -0.006
  110    HZ   PHE  15           HZ       PHE  15 -14.476  -5.096  -2.155
  111    H    THR  16           HN       THR  16  -8.902  -5.652   3.155
  112    HA   THR  16           HA       THR  16  -8.876  -5.609   6.080
  113    HB   THR  16           HB       THR  16  -7.295  -7.469   4.309
  114    HG1  THR  16          1HG       THR  16  -9.102  -8.383   3.920
  115   HG21  THR  16          1HG2      THR  16  -7.135  -8.819   6.370
  116   HG22  THR  16          2HG2      THR  16  -8.091  -7.615   7.231
  117   HG23  THR  16          3HG2      THR  16  -6.493  -7.195   6.613
  118    H    THR  17           HN       THR  17  -7.589  -3.950   6.615
  119    HA   THR  17           HA       THR  17  -5.863  -2.647   4.882
  120    HB   THR  17           HB       THR  17  -6.855  -1.499   6.790
  121    HG1  THR  17          1HG       THR  17  -5.255  -0.234   6.636
  122   HG21  THR  17          1HG2      THR  17  -6.811  -3.281   8.441
  123   HG22  THR  17          2HG2      THR  17  -5.996  -1.847   9.083
  124   HG23  THR  17          3HG2      THR  17  -5.052  -3.211   8.471
  125    H    GLY  18           HN       GLY  18  -5.174  -5.261   7.158
  126    HA2  GLY  18          2HA       GLY  18  -2.393  -5.175   7.055
  127    HA3  GLY  18          1HA       GLY  18  -3.362  -6.602   7.402
  128    H    SER  19           HN       SER  19  -4.754  -6.623   4.875
  129    HA   SER  19           HA       SER  19  -2.965  -8.124   3.305
  130    HB2  SER  19          2HB       SER  19  -5.602  -6.861   2.520
  131    HB3  SER  19          1HB       SER  19  -4.825  -8.216   1.705
  132    HG   SER  19           HG       SER  19  -4.955  -9.139   4.011
  133    H    CYS  20           HN       CYS  20  -4.257  -4.870   3.094
  134    HA   CYS  20           HA       CYS  20  -3.122  -4.079   0.657
  135    HB2  CYS  20          2HB       CYS  20  -4.950  -2.871   1.654
  136    HB3  CYS  20          1HB       CYS  20  -4.007  -2.543   3.098
  137    H    ASP  21           HN       ASP  21  -2.072  -3.599   4.015
  138    HA   ASP  21           HA       ASP  21   0.337  -2.285   3.463
  139    HB2  ASP  21          2HB       ASP  21  -0.641  -2.241   5.643
  140    HB3  ASP  21          1HB       ASP  21  -0.464  -3.977   5.848
  141    H    ASP  22           HN       ASP  22  -0.442  -5.675   3.732
  142    HA   ASP  22           HA       ASP  22   2.194  -6.682   3.657
  143    HB2  ASP  22          2HB       ASP  22   0.187  -8.024   4.325
  144    HB3  ASP  22          1HB       ASP  22  -0.283  -8.065   2.629
  145    H    HIS  23           HN       HIS  23  -0.226  -6.254   1.122
  146    HA   HIS  23           HA       HIS  23   1.300  -7.247  -0.982
  147    HB2  HIS  23          2HB       HIS  23  -1.146  -6.908  -1.054
  148    HB3  HIS  23          1HB       HIS  23  -0.899  -5.170  -1.042
  149    HD1  HIS  23          1HD       HIS  23  -0.751  -8.158  -3.298
  150    HD2  HIS  23          2HD       HIS  23  -0.024  -4.082  -3.452
  151    HE1  HIS  23          1HE       HIS  23  -0.711  -7.548  -5.747
  152    H    CYS  24           HN       CYS  24   0.816  -3.874   0.059
  153    HA   CYS  24           HA       CYS  24   2.491  -2.837  -1.900
  154    HB2  CYS  24          2HB       CYS  24   1.610  -1.652   0.712
  155    HB3  CYS  24          1HB       CYS  24   2.572  -0.776  -0.477
  156    H    LYS  25           HN       LYS  25   3.295  -3.773   1.473
  157    HA   LYS  25           HA       LYS  25   5.897  -2.766   1.045
  158    HB2  LYS  25          2HB       LYS  25   5.532  -2.422   3.217
  159    HB3  LYS  25          1HB       LYS  25   4.298  -3.664   3.295
  160    HG2  LYS  25          2HG       LYS  25   5.826  -5.315   3.708
  161    HG3  LYS  25          1HG       LYS  25   7.216  -4.310   3.272
  162    HD2  LYS  25          2HD       LYS  25   6.946  -4.610   5.759
  163    HD3  LYS  25          1HD       LYS  25   6.893  -2.928   5.243
  164    HE2  LYS  25          2HE       LYS  25   5.181  -3.357   6.907
  165    HE3  LYS  25          1HE       LYS  25   4.439  -2.983   5.360
  166    HZ1  LYS  25          1HZ       LYS  25   3.291  -4.738   6.329
  167    HZ2  LYS  25          2HZ       LYS  25   4.686  -5.630   6.663
  168    HZ3  LYS  25          3HZ       LYS  25   4.158  -5.478   5.075
  169    H    ASN  26           HN       ASN  26   4.446  -5.963   0.861
  170    HA   ASN  26           HA       ASN  26   7.104  -7.130   0.695
  171    HB2  ASN  26          2HB       ASN  26   4.388  -8.403   0.768
  172    HB3  ASN  26          1HB       ASN  26   5.851  -9.328   0.441
  173   HD21  ASN  26          1HD2      ASN  26   3.953  -7.697   2.752
  174   HD22  ASN  26          2HD2      ASN  26   4.821  -8.183   4.172
  175    H    LYS  27           HN       LYS  27   4.177  -7.245  -1.361
  176    HA   LYS  27           HA       LYS  27   5.713  -8.442  -3.445
  177    HB2  LYS  27          2HB       LYS  27   3.296  -8.959  -3.053
  178    HB3  LYS  27          1HB       LYS  27   2.897  -7.346  -3.626
  179    HG2  LYS  27          2HG       LYS  27   2.551  -8.994  -5.380
  180    HG3  LYS  27          1HG       LYS  27   3.867  -7.898  -5.818
  181    HD2  LYS  27          2HD       LYS  27   5.502  -9.556  -5.066
  182    HD3  LYS  27          1HD       LYS  27   4.196 -10.656  -4.622
  183    HE2  LYS  27          2HE       LYS  27   3.517 -10.740  -6.975
  184    HE3  LYS  27          1HE       LYS  27   4.832  -9.641  -7.387
  185    HZ1  LYS  27          1HZ       LYS  27   5.144 -12.352  -6.217
  186    HZ2  LYS  27          2HZ       LYS  27   6.403 -11.318  -6.531
  187    HZ3  LYS  27          3HZ       LYS  27   5.483 -11.929  -7.807
  188    H    GLU  28           HN       GLU  28   4.257  -5.278  -2.948
  189    HA   GLU  28           HA       GLU  28   5.272  -4.237  -5.428
  190    HB2  GLU  28          2HB       GLU  28   4.097  -2.845  -3.029
  191    HB3  GLU  28          1HB       GLU  28   4.498  -2.055  -4.540
  192    HG2  GLU  28          2HG       GLU  28   2.546  -4.325  -4.347
  193    HG3  GLU  28          1HG       GLU  28   2.084  -2.627  -4.244
  194    H    HIS  29           HN       HIS  29   6.579  -4.852  -2.426
  195    HA   HIS  29           HA       HIS  29   8.419  -4.305  -1.287
  196    HB2  HIS  29          2HB       HIS  29   9.345  -3.996  -4.109
  197    HB3  HIS  29          1HB       HIS  29  10.425  -3.513  -2.805
  198    HD1  HIS  29          1HD       HIS  29   9.679  -6.393  -4.814
  199    HD2  HIS  29          2HD       HIS  29  10.633  -5.742  -0.823
  200    HE1  HIS  29          1HE       HIS  29  10.608  -8.568  -3.949
  201    H    LEU  30           HN       LEU  30   6.572  -2.402  -1.127
  202    HA   LEU  30           HA       LEU  30   8.103   0.055  -1.222
  203    HB2  LEU  30          2HB       LEU  30   5.174  -0.336  -0.580
  204    HB3  LEU  30          1HB       LEU  30   5.984   1.203  -0.791
  205    HG   LEU  30           HG       LEU  30   5.402  -0.862  -2.900
  206   HD11  LEU  30          1HD1      LEU  30   3.499   0.470  -2.335
  207   HD12  LEU  30          2HD1      LEU  30   4.095   0.934  -3.929
  208   HD13  LEU  30          3HD1      LEU  30   4.429   1.953  -2.531
  209   HD21  LEU  30          1HD2      LEU  30   6.416   0.741  -4.513
  210   HD22  LEU  30          2HD2      LEU  30   7.575   0.017  -3.406
  211   HD23  LEU  30          3HD2      LEU  30   7.034   1.671  -3.143
  212    H    ARG  31           HN       ARG  31   7.198   1.445   0.876
  213    HA   ARG  31           HA       ARG  31   8.473   0.085   3.062
  214    HB2  ARG  31          2HB       ARG  31   9.106   2.339   2.776
  215    HB3  ARG  31          1HB       ARG  31   7.440   2.878   2.678
  216    HG2  ARG  31          2HG       ARG  31   7.130   2.408   5.046
  217    HG3  ARG  31          1HG       ARG  31   8.786   1.807   5.150
  218    HD2  ARG  31          2HD       ARG  31   9.692   3.937   4.752
  219    HD3  ARG  31          1HD       ARG  31   8.144   4.564   4.183
  220    HE   ARG  31           HE       ARG  31   7.539   3.921   6.665
  221   HH11  ARG  31          1HH1      ARG  31  10.480   5.539   5.594
  222   HH12  ARG  31          2HH1      ARG  31  10.510   6.656   6.875
  223   HH21  ARG  31          1HH2      ARG  31   7.543   5.465   8.392
  224   HH22  ARG  31          2HH2      ARG  31   8.775   6.622   8.526
  225    H    SER  32           HN       SER  32   5.218   1.456   2.526
  226    HA   SER  32           HA       SER  32   4.116  -0.432   4.398
  227    HB2  SER  32          2HB       SER  32   3.067   1.381   5.786
  228    HB3  SER  32          1HB       SER  32   4.822   1.320   5.941
  229    HG   SER  32           HG       SER  32   3.225   3.132   4.495
  230    H    GLY  33           HN       GLY  33   1.668  -0.263   4.370
  231    HA2  GLY  33          2HA       GLY  33   0.671   1.219   2.060
  232    HA3  GLY  33          1HA       GLY  33   0.401  -0.515   2.126
  233    H    ARG  34           HN       ARG  34  -1.275   2.131   2.462
  234    HA   ARG  34           HA       ARG  34  -2.815   0.978   4.621
  235    HB2  ARG  34          2HB       ARG  34  -3.189   3.160   5.655
  236    HB3  ARG  34          1HB       ARG  34  -1.493   2.702   5.696
  237    HG2  ARG  34          2HG       ARG  34  -1.040   4.154   3.836
  238    HG3  ARG  34          1HG       ARG  34  -2.742   4.612   3.745
  239    HD2  ARG  34          2HD       ARG  34  -2.552   5.464   6.101
  240    HD3  ARG  34          1HD       ARG  34  -0.825   5.141   6.011
  241    HE   ARG  34           HE       ARG  34  -0.878   6.651   4.010
  242   HH11  ARG  34          1HH1      ARG  34  -3.056   7.105   6.785
  243   HH12  ARG  34          2HH1      ARG  34  -3.219   8.782   6.539
  244   HH21  ARG  34          1HH2      ARG  34  -1.159   8.863   3.667
  245   HH22  ARG  34          2HH2      ARG  34  -2.121   9.833   4.708
  246    H    CYS  35           HN       CYS  35  -4.948   1.611   4.660
  247    HA   CYS  35           HA       CYS  35  -6.027   2.043   1.997
  248    HB2  CYS  35          2HB       CYS  35  -7.459   1.266   4.522
  249    HB3  CYS  35          1HB       CYS  35  -7.928   0.936   2.853
  250    H    ARG  36           HN       ARG  36  -7.018   3.860   1.506
  251    HA   ARG  36           HA       ARG  36  -7.389   5.785   3.654
  252    HB2  ARG  36          2HB       ARG  36  -6.876   6.174   0.738
  253    HB3  ARG  36          1HB       ARG  36  -7.400   7.496   1.783
  254    HG2  ARG  36          2HG       ARG  36  -4.846   5.903   1.961
  255    HG3  ARG  36          1HG       ARG  36  -5.011   7.615   1.557
  256    HD2  ARG  36          2HD       ARG  36  -5.456   6.259   4.211
  257    HD3  ARG  36          1HD       ARG  36  -4.302   7.532   3.823
  258    HE   ARG  36           HE       ARG  36  -6.602   8.738   3.292
  259   HH11  ARG  36          1HH1      ARG  36  -5.545   6.969   6.180
  260   HH12  ARG  36          2HH1      ARG  36  -6.660   7.733   7.209
  261   HH21  ARG  36          1HH2      ARG  36  -8.226   9.668   4.690
  262   HH22  ARG  36          2HH2      ARG  36  -8.199   9.304   6.359
  263    H    ASP  37           HN       ASP  37  -9.054   7.587   2.736
  264    HA   ASP  37           HA       ASP  37 -11.530   6.816   3.515
  265    HB2  ASP  37          2HB       ASP  37 -10.931   8.958   1.468
  266    HB3  ASP  37          1HB       ASP  37 -12.376   8.844   2.459
  267    H    ASP  38           HN       ASP  38 -10.376   6.918   0.193
  268    HA   ASP  38           HA       ASP  38 -12.907   6.117  -0.968
  269    HB2  ASP  38          2HB       ASP  38 -10.169   6.324  -2.226
  270    HB3  ASP  38          1HB       ASP  38 -11.641   5.938  -3.098
  271    H    PHE  39           HN       PHE  39 -10.926   4.382   0.808
  272    HA   PHE  39           HA       PHE  39 -10.530   2.235   1.184
  273    HB2  PHE  39          2HB       PHE  39 -12.553   1.724  -1.015
  274    HB3  PHE  39          1HB       PHE  39 -11.865   0.470   0.007
  275    HD1  PHE  39          1HD       PHE  39 -14.262   3.172  -0.228
  276    HD2  PHE  39          2HD       PHE  39 -12.409   0.395   2.395
  277    HE1  PHE  39          1HE       PHE  39 -16.024   3.581   1.439
  278    HE2  PHE  39          2HE       PHE  39 -14.162   0.798   4.070
  279    HZ   PHE  39           HZ       PHE  39 -15.975   2.398   3.587
  280    H    ARG  40           HN       ARG  40  -9.251   3.798  -1.121
  281    HA   ARG  40           HA       ARG  40  -8.104   1.504  -2.528
  282    HB2  ARG  40          2HB       ARG  40  -8.906   3.698  -3.712
  283    HB3  ARG  40          1HB       ARG  40  -7.418   4.384  -3.084
  284    HG2  ARG  40          2HG       ARG  40  -7.059   3.716  -5.338
  285    HG3  ARG  40          1HG       ARG  40  -6.166   2.622  -4.279
  286    HD2  ARG  40          2HD       ARG  40  -7.841   0.913  -4.532
  287    HD3  ARG  40          1HD       ARG  40  -8.887   2.016  -5.426
  288    HE   ARG  40           HE       ARG  40  -6.299   1.631  -6.585
  289   HH11  ARG  40          1HH1      ARG  40  -9.613   0.370  -6.441
  290   HH12  ARG  40          2HH1      ARG  40  -9.548  -0.341  -7.978
  291   HH21  ARG  40          1HH2      ARG  40  -6.238   0.633  -8.735
  292   HH22  ARG  40          2HH2      ARG  40  -7.629  -0.152  -9.326
  293    H    CYS  41           HN       CYS  41  -5.763   1.316  -2.602
  294    HA   CYS  41           HA       CYS  41  -4.659   1.952  -0.039
  295    HB2  CYS  41          2HB       CYS  41  -3.834   0.111  -2.237
  296    HB3  CYS  41          1HB       CYS  41  -2.793   0.439  -0.857
  297    H    TRP  42           HN       TRP  42  -3.531   3.597   0.328
  298    HA   TRP  42           HA       TRP  42  -1.804   4.711  -1.737
  299    HB2  TRP  42          2HB       TRP  42  -3.276   5.871   0.555
  300    HB3  TRP  42          1HB       TRP  42  -1.624   6.446   0.389
  301    HD1  TRP  42          1HD       TRP  42  -1.096   8.082  -1.601
  302    HE1  TRP  42          1HE       TRP  42  -2.565   9.380  -3.264
  303    HE3  TRP  42          3HE       TRP  42  -5.543   5.675  -0.833
  304    HZ2  TRP  42          2HZ       TRP  42  -5.229   9.393  -4.142
  305    HZ3  TRP  42          3HZ       TRP  42  -7.512   6.408  -2.126
  306    HH2  TRP  42          2HH       TRP  42  -7.348   8.225  -3.747
  307    H    CYS  43           HN       CYS  43   0.201   4.077  -1.591
  308    HA   CYS  43           HA       CYS  43   1.045   3.008   0.979
  309    HB2  CYS  43          2HB       CYS  43   1.621   1.883  -1.765
  310    HB3  CYS  43          1HB       CYS  43   2.215   1.237  -0.231
  311    H    THR  44           HN       THR  44   3.002   3.455   1.665
  312    HA   THR  44           HA       THR  44   4.289   5.754   0.551
  313    HB   THR  44           HB       THR  44   5.062   4.081   2.946
  314    HG1  THR  44          1HG       THR  44   3.625   6.487   3.143
  315   HG21  THR  44          1HG2      THR  44   6.776   5.657   2.172
  316   HG22  THR  44          2HG2      THR  44   6.093   6.166   3.719
  317   HG23  THR  44          3HG2      THR  44   5.596   6.966   2.227
  318    H    LYS  45           HN       LYS  45   5.938   5.698  -0.760
  319    HA   LYS  45           HA       LYS  45   7.545   3.273  -0.990
  320    HB2  LYS  45          2HB       LYS  45   7.695   3.787  -3.428
  321    HB3  LYS  45          1HB       LYS  45   6.059   3.428  -2.896
  322    HG2  LYS  45          2HG       LYS  45   5.724   5.952  -2.766
  323    HG3  LYS  45          1HG       LYS  45   7.224   6.079  -3.679
  324    HD2  LYS  45          2HD       LYS  45   4.723   4.607  -4.555
  325    HD3  LYS  45          1HD       LYS  45   5.267   6.167  -5.160
  326    HE2  LYS  45          2HE       LYS  45   7.302   5.083  -6.032
  327    HE3  LYS  45          1HE       LYS  45   6.705   3.531  -5.457
  328    HZ1  LYS  45          1HZ       LYS  45   5.302   5.226  -7.458
  329    HZ2  LYS  45          2HZ       LYS  45   4.853   3.668  -6.990
  330    HZ3  LYS  45          3HZ       LYS  45   6.268   3.917  -7.841
  331    H    ASN  46           HN       ASN  46   9.763   3.729  -1.772
  332    HA   ASN  46           HA       ASN  46  10.697   6.222  -0.601
  333    HB2  ASN  46          2HB       ASN  46  12.216   3.734  -1.406
  334    HB3  ASN  46          1HB       ASN  46  12.999   5.210  -0.859
  335   HD21  ASN  46          1HD2      ASN  46  12.839   5.787   1.322
  336   HD22  ASN  46          2HD2      ASN  46  12.305   4.678   2.517
  337    H    CYS  47           HN       CYS  47  11.395   7.833  -1.664
  338    HA   CYS  47           HA       CYS  47  12.269   7.573  -4.392
  339    HB2  CYS  47          2HB       CYS  47  10.864   9.638  -4.925
  340    HB3  CYS  47          1HB       CYS  47   9.965   8.141  -4.701
  Start of MODEL    8
    1    H1   LYS   1          1HT       LYS   1  11.826  11.500   1.009
    2    H2   LYS   1          2HT       LYS   1  12.003  10.678   2.461
    3    H3   LYS   1          3HT       LYS   1  12.287  12.337   2.414
    4    HA   LYS   1           HA       LYS   1  10.166  11.812   3.455
    5    HB2  LYS   1          2HB       LYS   1  10.499  13.901   2.043
    6    HB3  LYS   1          1HB       LYS   1   9.806  13.017   0.697
    7    HG2  LYS   1          2HG       LYS   1   7.691  12.833   1.875
    8    HG3  LYS   1          1HG       LYS   1   8.395  13.646   3.275
    9    HD2  LYS   1          2HD       LYS   1   8.864  15.617   1.814
   10    HD3  LYS   1          1HD       LYS   1   7.989  14.806   0.522
   11    HE2  LYS   1          2HE       LYS   1   6.569  16.432   1.667
   12    HE3  LYS   1          1HE       LYS   1   5.961  14.794   1.879
   13    HZ1  LYS   1          1HZ       LYS   1   6.879  14.759   4.104
   14    HZ2  LYS   1          2HZ       LYS   1   5.907  16.107   3.953
   15    HZ3  LYS   1          3HZ       LYS   1   7.563  16.278   3.929
   16    H    THR   2           HN       THR   2   8.472  10.336   3.500
   17    HA   THR   2           HA       THR   2   8.519   8.483   1.338
   18    HB   THR   2           HB       THR   2   6.674   7.274   2.590
   19    HG1  THR   2          1HG       THR   2   6.842   9.485   4.143
   20   HG21  THR   2          1HG2      THR   2   8.261   6.337   4.226
   21   HG22  THR   2          2HG2      THR   2   9.340   7.705   3.921
   22   HG23  THR   2          3HG2      THR   2   8.964   6.567   2.625
   23    H    CYS   3           HN       CYS   3   7.386   8.376  -0.277
   24    HA   CYS   3           HA       CYS   3   5.330  10.339  -0.771
   25    HB2  CYS   3          2HB       CYS   3   6.594   8.276  -2.583
   26    HB3  CYS   3          1HB       CYS   3   5.483   9.543  -3.091
   27    H    GLU   4           HN       GLU   4   3.251   9.770  -1.403
   28    HA   GLU   4           HA       GLU   4   2.468   7.057  -0.644
   29    HB2  GLU   4          2HB       GLU   4   1.812   8.984   0.874
   30    HB3  GLU   4          1HB       GLU   4   0.842   9.598  -0.450
   31    HG2  GLU   4          2HG       GLU   4  -0.591   7.731  -0.368
   32    HG3  GLU   4          1HG       GLU   4   0.464   6.888   0.777
   33    H    ASN   5           HN       ASN   5   2.000   5.972  -2.440
   34    HA   ASN   5           HA       ASN   5   0.811   7.392  -4.745
   35    HB2  ASN   5          2HB       ASN   5   3.192   6.984  -5.162
   36    HB3  ASN   5          1HB       ASN   5   2.990   5.288  -4.764
   37   HD21  ASN   5          1HD2      ASN   5   0.838   7.288  -6.815
   38   HD22  ASN   5          2HD2      ASN   5   1.127   6.360  -8.235
   39    H    LEU   6           HN       LEU   6  -0.867   6.346  -5.690
   40    HA   LEU   6           HA       LEU   6  -2.163   4.225  -4.437
   41    HB2  LEU   6          2HB       LEU   6  -2.489   5.623  -7.018
   42    HB3  LEU   6          1HB       LEU   6  -3.286   4.076  -6.823
   43    HG   LEU   6           HG       LEU   6  -3.681   6.389  -4.924
   44   HD11  LEU   6          1HD1      LEU   6  -5.796   6.683  -6.051
   45   HD12  LEU   6          2HD1      LEU   6  -5.371   5.412  -7.203
   46   HD13  LEU   6          3HD1      LEU   6  -4.465   6.935  -7.189
   47   HD21  LEU   6          1HD2      LEU   6  -4.147   4.180  -3.998
   48   HD22  LEU   6          2HD2      LEU   6  -5.171   3.816  -5.385
   49   HD23  LEU   6          3HD2      LEU   6  -5.628   5.094  -4.261
   50    H    ALA   7           HN       ALA   7  -2.202   2.167  -4.648
   51    HA   ALA   7           HA       ALA   7  -0.146   0.819  -6.118
   52    HB1  ALA   7          1HB       ALA   7  -2.450  -0.210  -4.473
   53    HB2  ALA   7          2HB       ALA   7  -0.808   0.059  -3.895
   54    HB3  ALA   7          3HB       ALA   7  -1.130  -1.198  -5.095
   55    H    ASP   8           HN       ASP   8  -0.437   0.542  -8.238
   56    HA   ASP   8           HA       ASP   8  -3.023   0.453  -9.490
   57    HB2  ASP   8          2HB       ASP   8  -1.047   1.222 -10.750
   58    HB3  ASP   8          1HB       ASP   8  -0.321  -0.375 -10.603
   59    H    THR   9           HN       THR   9  -0.705  -1.826  -8.297
   60    HA   THR   9           HA       THR   9  -1.670  -4.143  -9.491
   61    HB   THR   9           HB       THR   9  -0.220  -3.918  -6.864
   62    HG1  THR   9          1HG       THR   9   1.607  -3.484  -7.984
   63   HG21  THR   9          1HG2      THR   9   0.876  -5.945  -7.723
   64   HG22  THR   9          2HG2      THR   9  -0.144  -5.850  -9.166
   65   HG23  THR   9          3HG2      THR   9  -0.874  -6.146  -7.588
   66    H    TYR  10           HN       TYR  10  -2.626  -2.355  -6.621
   67    HA   TYR  10           HA       TYR  10  -4.145  -4.580  -5.571
   68    HB2  TYR  10          2HB       TYR  10  -2.901  -2.929  -4.104
   69    HB3  TYR  10          1HB       TYR  10  -4.078  -1.722  -4.587
   70    HD1  TYR  10          1HD       TYR  10  -6.453  -1.973  -3.857
   71    HD2  TYR  10          2HD       TYR  10  -3.386  -4.541  -2.456
   72    HE1  TYR  10          1HE       TYR  10  -7.879  -2.625  -1.975
   73    HE2  TYR  10          2HE       TYR  10  -4.785  -5.220  -0.578
   74    HH   TYR  10           HH       TYR  10  -6.696  -4.314   0.710
   75    H    LYS  11           HN       LYS  11  -5.517  -4.854  -7.309
   76    HA   LYS  11           HA       LYS  11  -7.310  -2.696  -8.033
   77    HB2  LYS  11          2HB       LYS  11  -7.088  -5.497  -9.136
   78    HB3  LYS  11          1HB       LYS  11  -7.978  -4.154  -9.852
   79    HG2  LYS  11          2HG       LYS  11  -5.981  -2.949 -10.282
   80    HG3  LYS  11          1HG       LYS  11  -5.025  -4.090  -9.348
   81    HD2  LYS  11          2HD       LYS  11  -5.616  -5.836 -11.013
   82    HD3  LYS  11          1HD       LYS  11  -6.398  -4.580 -11.979
   83    HE2  LYS  11          2HE       LYS  11  -3.514  -4.585 -11.114
   84    HE3  LYS  11          1HE       LYS  11  -4.098  -5.040 -12.708
   85    HZ1  LYS  11          1HZ       LYS  11  -4.873  -2.756 -13.036
   86    HZ2  LYS  11          2HZ       LYS  11  -3.259  -2.688 -12.563
   87    HZ3  LYS  11          3HZ       LYS  11  -4.448  -2.349 -11.464
   88    H    GLY  12           HN       GLY  12  -8.505  -2.543  -6.158
   89    HA2  GLY  12          2HA       GLY  12 -10.921  -3.687  -6.057
   90    HA3  GLY  12          1HA       GLY  12  -9.924  -4.789  -5.110
   91    HA   PRO  13           HA       PRO  13 -11.027  -1.076  -2.473
   92    HB2  PRO  13          2HB       PRO  13 -13.007  -2.654  -1.069
   93    HB3  PRO  13          1HB       PRO  13 -13.239  -1.149  -1.960
   94    HG2  PRO  13          2HG       PRO  13 -14.251  -3.546  -2.781
   95    HG3  PRO  13          1HG       PRO  13 -13.828  -2.229  -3.887
   96    HD2  PRO  13          2HD       PRO  13 -12.269  -4.692  -3.196
   97    HD3  PRO  13          1HD       PRO  13 -12.519  -3.912  -4.775
   98    H    CYS  14           HN       CYS  14 -10.276  -0.873  -0.386
   99    HA   CYS  14           HA       CYS  14  -8.717  -3.028   0.645
  100    HB2  CYS  14          2HB       CYS  14  -7.900  -0.743   0.849
  101    HB3  CYS  14          1HB       CYS  14  -9.329  -0.284   1.767
  102    H    PHE  15           HN       PHE  15  -9.725  -4.681   1.565
  103    HA   PHE  15           HA       PHE  15 -12.008  -4.170   3.313
  104    HB2  PHE  15          2HB       PHE  15 -10.868  -6.781   2.279
  105    HB3  PHE  15          1HB       PHE  15 -12.268  -6.651   3.332
  106    HD1  PHE  15          1HD       PHE  15 -14.273  -5.323   2.456
  107    HD2  PHE  15          2HD       PHE  15 -11.114  -6.704  -0.023
  108    HE1  PHE  15          1HE       PHE  15 -15.732  -5.111   0.494
  109    HE2  PHE  15          2HE       PHE  15 -12.562  -6.497  -1.993
  110    HZ   PHE  15           HZ       PHE  15 -14.879  -5.698  -1.740
  111    H    THR  16           HN       THR  16  -8.688  -5.123   3.331
  112    HA   THR  16           HA       THR  16  -8.721  -5.035   6.241
  113    HB   THR  16           HB       THR  16  -7.223  -7.114   4.626
  114    HG1  THR  16          1HG       THR  16  -9.788  -7.034   5.632
  115   HG21  THR  16          1HG2      THR  16  -6.823  -8.159   6.806
  116   HG22  THR  16          2HG2      THR  16  -7.742  -6.885   7.597
  117   HG23  THR  16          3HG2      THR  16  -6.212  -6.503   6.799
  118    H    THR  17           HN       THR  17  -7.244  -3.526   6.829
  119    HA   THR  17           HA       THR  17  -5.569  -2.343   4.905
  120    HB   THR  17           HB       THR  17  -6.551  -1.077   6.819
  121    HG1  THR  17          1HG       THR  17  -5.019   0.285   6.596
  122   HG21  THR  17          1HG2      THR  17  -5.474  -1.156   9.022
  123   HG22  THR  17          2HG2      THR  17  -4.471  -2.503   8.481
  124   HG23  THR  17          3HG2      THR  17  -6.219  -2.702   8.614
  125    H    GLY  18           HN       GLY  18  -5.007  -4.826   7.325
  126    HA2  GLY  18          2HA       GLY  18  -2.211  -4.900   7.258
  127    HA3  GLY  18          1HA       GLY  18  -3.253  -6.267   7.625
  128    H    SER  19           HN       SER  19  -4.617  -6.351   5.119
  129    HA   SER  19           HA       SER  19  -2.823  -7.869   3.569
  130    HB2  SER  19          2HB       SER  19  -5.493  -6.721   2.747
  131    HB3  SER  19          1HB       SER  19  -4.711  -8.177   2.123
  132    HG   SER  19           HG       SER  19  -5.105  -9.218   3.985
  133    H    CYS  20           HN       CYS  20  -3.918  -4.561   3.536
  134    HA   CYS  20           HA       CYS  20  -2.989  -3.864   0.931
  135    HB2  CYS  20          2HB       CYS  20  -4.740  -2.619   2.171
  136    HB3  CYS  20          1HB       CYS  20  -3.527  -2.131   3.347
  137    H    ASP  21           HN       ASP  21  -1.799  -3.435   4.224
  138    HA   ASP  21           HA       ASP  21   0.660  -2.233   3.757
  139    HB2  ASP  21          2HB       ASP  21  -0.164  -2.420   5.996
  140    HB3  ASP  21          1HB       ASP  21  -0.263  -4.170   5.886
  141    H    ASP  22           HN       ASP  22  -0.159  -5.630   4.056
  142    HA   ASP  22           HA       ASP  22   2.364  -6.731   3.602
  143    HB2  ASP  22          2HB       ASP  22   0.421  -7.952   4.503
  144    HB3  ASP  22          1HB       ASP  22  -0.324  -7.906   2.914
  145    H    HIS  23           HN       HIS  23  -0.224  -5.928   1.328
  146    HA   HIS  23           HA       HIS  23   0.859  -7.022  -0.990
  147    HB2  HIS  23          2HB       HIS  23  -1.503  -6.245  -0.650
  148    HB3  HIS  23          1HB       HIS  23  -0.927  -4.590  -0.732
  149    HD1  HIS  23          1HD       HIS  23  -2.276  -7.240  -2.807
  150    HD2  HIS  23          2HD       HIS  23   0.248  -3.990  -3.347
  151    HE1  HIS  23          1HE       HIS  23  -2.265  -6.772  -5.288
  152    H    CYS  24           HN       CYS  24   0.949  -3.626   0.139
  153    HA   CYS  24           HA       CYS  24   2.594  -2.744  -1.947
  154    HB2  CYS  24          2HB       CYS  24   2.233  -1.577   0.810
  155    HB3  CYS  24          1HB       CYS  24   3.039  -0.760  -0.523
  156    H    LYS  25           HN       LYS  25   3.397  -4.278   1.044
  157    HA   LYS  25           HA       LYS  25   6.184  -3.625   0.889
  158    HB2  LYS  25          2HB       LYS  25   4.570  -5.402   2.669
  159    HB3  LYS  25          1HB       LYS  25   6.328  -5.331   2.764
  160    HG2  LYS  25          2HG       LYS  25   6.333  -3.126   3.464
  161    HG3  LYS  25          1HG       LYS  25   4.715  -2.847   2.825
  162    HD2  LYS  25          2HD       LYS  25   4.788  -2.918   5.295
  163    HD3  LYS  25          1HD       LYS  25   3.734  -4.129   4.589
  164    HE2  LYS  25          2HE       LYS  25   5.504  -5.806   4.895
  165    HE3  LYS  25          1HE       LYS  25   6.504  -4.549   5.641
  166    HZ1  LYS  25          1HZ       LYS  25   5.080  -4.389   7.458
  167    HZ2  LYS  25          2HZ       LYS  25   5.136  -6.054   7.189
  168    HZ3  LYS  25          3HZ       LYS  25   3.813  -5.133   6.659
  169    H    ASN  26           HN       ASN  26   4.313  -6.598   0.309
  170    HA   ASN  26           HA       ASN  26   6.802  -7.874  -0.483
  171    HB2  ASN  26          2HB       ASN  26   4.058  -9.040  -0.127
  172    HB3  ASN  26          1HB       ASN  26   5.473  -9.972  -0.614
  173   HD21  ASN  26          1HD2      ASN  26   3.854  -8.366   1.954
  174   HD22  ASN  26          2HD2      ASN  26   4.872  -8.898   3.241
  175    H    LYS  27           HN       LYS  27   3.862  -6.764  -2.004
  176    HA   LYS  27           HA       LYS  27   4.604  -8.065  -4.475
  177    HB2  LYS  27          2HB       LYS  27   2.233  -7.956  -3.819
  178    HB3  LYS  27          1HB       LYS  27   2.312  -6.207  -3.815
  179    HG2  LYS  27          2HG       LYS  27   1.196  -6.996  -5.795
  180    HG3  LYS  27          1HG       LYS  27   2.726  -6.233  -6.232
  181    HD2  LYS  27          2HD       LYS  27   3.769  -8.406  -6.473
  182    HD3  LYS  27          1HD       LYS  27   2.289  -9.204  -5.941
  183    HE2  LYS  27          2HE       LYS  27   1.116  -8.283  -7.902
  184    HE3  LYS  27          1HE       LYS  27   2.613  -7.520  -8.428
  185    HZ1  LYS  27          1HZ       LYS  27   2.160 -10.433  -8.129
  186    HZ2  LYS  27          2HZ       LYS  27   3.602  -9.726  -8.610
  187    HZ3  LYS  27          3HZ       LYS  27   2.246  -9.597  -9.594
  188    H    GLU  28           HN       GLU  28   4.133  -4.758  -3.290
  189    HA   GLU  28           HA       GLU  28   5.322  -3.671  -5.692
  190    HB2  GLU  28          2HB       GLU  28   4.275  -2.308  -3.215
  191    HB3  GLU  28          1HB       GLU  28   4.900  -1.462  -4.619
  192    HG2  GLU  28          2HG       GLU  28   2.518  -3.302  -4.609
  193    HG3  GLU  28          1HG       GLU  28   2.459  -1.539  -4.612
  194    H    HIS  29           HN       HIS  29   6.411  -4.706  -2.702
  195    HA   HIS  29           HA       HIS  29   8.411  -4.759  -1.640
  196    HB2  HIS  29          2HB       HIS  29   9.473  -3.745  -4.288
  197    HB3  HIS  29          1HB       HIS  29  10.482  -4.327  -2.970
  198    HD1  HIS  29          1HD       HIS  29   9.186  -5.464  -6.063
  199    HD2  HIS  29          2HD       HIS  29   9.553  -7.144  -2.282
  200    HE1  HIS  29          1HE       HIS  29   9.076  -7.960  -6.396
  201    H    LEU  30           HN       LEU  30   6.805  -2.492  -1.298
  202    HA   LEU  30           HA       LEU  30   8.734  -0.301  -1.072
  203    HB2  LEU  30          2HB       LEU  30   5.727  -0.287  -0.936
  204    HB3  LEU  30          1HB       LEU  30   6.755   1.131  -0.821
  205    HG   LEU  30           HG       LEU  30   6.535  -0.673  -3.223
  206   HD11  LEU  30          1HD1      LEU  30   4.525   0.552  -2.975
  207   HD12  LEU  30          2HD1      LEU  30   5.465   1.270  -4.281
  208   HD13  LEU  30          3HD1      LEU  30   5.394   2.058  -2.705
  209   HD21  LEU  30          1HD2      LEU  30   8.735   0.274  -3.104
  210   HD22  LEU  30          2HD2      LEU  30   8.081   1.869  -2.774
  211   HD23  LEU  30          3HD2      LEU  30   7.820   1.123  -4.350
  212    H    ARG  31           HN       ARG  31   7.967   1.209   0.851
  213    HA   ARG  31           HA       ARG  31   8.831   0.028   3.215
  214    HB2  ARG  31          2HB       ARG  31   8.988   2.433   2.871
  215    HB3  ARG  31          1HB       ARG  31   7.238   2.571   2.835
  216    HG2  ARG  31          2HG       ARG  31   7.174   1.784   5.193
  217    HG3  ARG  31          1HG       ARG  31   8.933   1.806   5.207
  218    HD2  ARG  31          2HD       ARG  31   8.930   4.204   4.805
  219    HD3  ARG  31          1HD       ARG  31   7.170   4.202   4.677
  220    HE   ARG  31           HE       ARG  31   8.167   3.130   7.141
  221   HH11  ARG  31          1HH1      ARG  31   7.140   6.170   5.563
  222   HH12  ARG  31          2HH1      ARG  31   6.875   6.980   7.035
  223   HH21  ARG  31          1HH2      ARG  31   7.715   4.282   9.147
  224   HH22  ARG  31          2HH2      ARG  31   7.176   5.891   9.097
  225    H    SER  32           HN       SER  32   5.499   0.923   2.301
  226    HA   SER  32           HA       SER  32   4.339  -1.182   3.799
  227    HB2  SER  32          2HB       SER  32   5.058   0.330   5.651
  228    HB3  SER  32          1HB       SER  32   4.091   1.617   4.947
  229    HG   SER  32           HG       SER  32   3.065  -0.883   5.925
  230    H    GLY  33           HN       GLY  33   1.827  -0.295   4.125
  231    HA2  GLY  33          2HA       GLY  33   1.011   1.191   1.776
  232    HA3  GLY  33          1HA       GLY  33   0.365  -0.440   2.006
  233    H    ARG  34           HN       ARG  34  -1.279   1.841   1.998
  234    HA   ARG  34           HA       ARG  34  -2.479   1.539   4.586
  235    HB2  ARG  34          2HB       ARG  34  -2.581   4.002   4.991
  236    HB3  ARG  34          1HB       ARG  34  -0.964   3.330   5.118
  237    HG2  ARG  34          2HG       ARG  34  -0.497   4.129   2.834
  238    HG3  ARG  34          1HG       ARG  34  -2.092   4.882   2.800
  239    HD2  ARG  34          2HD       ARG  34  -0.395   6.515   3.364
  240    HD3  ARG  34          1HD       ARG  34  -1.468   6.249   4.734
  241    HE   ARG  34           HE       ARG  34   0.439   4.603   5.396
  242   HH11  ARG  34          1HH1      ARG  34   0.908   7.799   3.893
  243   HH12  ARG  34          2HH1      ARG  34   2.366   8.103   4.742
  244   HH21  ARG  34          1HH2      ARG  34   2.411   5.042   6.497
  245   HH22  ARG  34          2HH2      ARG  34   3.228   6.535   6.239
  246    H    CYS  35           HN       CYS  35  -4.655   2.126   4.594
  247    HA   CYS  35           HA       CYS  35  -5.773   2.544   1.917
  248    HB2  CYS  35          2HB       CYS  35  -7.199   1.522   4.389
  249    HB3  CYS  35          1HB       CYS  35  -7.772   1.482   2.729
  250    H    ARG  36           HN       ARG  36  -6.300   4.510   1.537
  251    HA   ARG  36           HA       ARG  36  -6.833   6.363   3.694
  252    HB2  ARG  36          2HB       ARG  36  -6.570   6.698   0.725
  253    HB3  ARG  36          1HB       ARG  36  -7.040   8.027   1.782
  254    HG2  ARG  36          2HG       ARG  36  -4.458   6.483   1.979
  255    HG3  ARG  36          1HG       ARG  36  -4.644   8.044   1.179
  256    HD2  ARG  36          2HD       ARG  36  -5.384   9.028   3.297
  257    HD3  ARG  36          1HD       ARG  36  -5.161   7.476   4.104
  258    HE   ARG  36           HE       ARG  36  -2.822   8.429   2.759
  259   HH11  ARG  36          1HH1      ARG  36  -4.699   8.794   5.747
  260   HH12  ARG  36          2HH1      ARG  36  -3.358   9.191   6.702
  261   HH21  ARG  36          1HH2      ARG  36  -1.007   8.944   4.060
  262   HH22  ARG  36          2HH2      ARG  36  -1.195   9.275   5.736
  263    H    ASP  37           HN       ASP  37  -8.666   8.066   2.928
  264    HA   ASP  37           HA       ASP  37 -11.076   6.871   3.647
  265    HB2  ASP  37          2HB       ASP  37 -12.138   9.013   3.197
  266    HB3  ASP  37          1HB       ASP  37 -10.601   9.247   4.016
  267    H    ASP  38           HN       ASP  38  -9.724   7.152   0.511
  268    HA   ASP  38           HA       ASP  38 -12.275   6.690  -0.817
  269    HB2  ASP  38          2HB       ASP  38  -9.470   6.899  -1.882
  270    HB3  ASP  38          1HB       ASP  38 -10.824   6.454  -2.906
  271    H    PHE  39           HN       PHE  39 -10.747   4.772   1.058
  272    HA   PHE  39           HA       PHE  39 -10.316   2.633   1.364
  273    HB2  PHE  39          2HB       PHE  39 -12.084   0.998   0.623
  274    HB3  PHE  39          1HB       PHE  39 -12.663   2.379   1.522
  275    HD1  PHE  39          1HD       PHE  39 -14.287   3.798   0.610
  276    HD2  PHE  39          2HD       PHE  39 -12.423   0.882  -1.832
  277    HE1  PHE  39          1HE       PHE  39 -15.983   4.196  -1.133
  278    HE2  PHE  39          2HE       PHE  39 -14.109   1.265  -3.592
  279    HZ   PHE  39           HZ       PHE  39 -15.891   2.924  -3.241
  280    H    ARG  40           HN       ARG  40  -8.882   3.675  -0.782
  281    HA   ARG  40           HA       ARG  40  -8.377   1.199  -2.286
  282    HB2  ARG  40          2HB       ARG  40  -9.092   3.420  -3.504
  283    HB3  ARG  40          1HB       ARG  40  -7.445   3.931  -3.166
  284    HG2  ARG  40          2HG       ARG  40  -7.498   3.115  -5.365
  285    HG3  ARG  40          1HG       ARG  40  -6.676   1.894  -4.396
  286    HD2  ARG  40          2HD       ARG  40  -8.710   0.557  -4.275
  287    HD3  ARG  40          1HD       ARG  40  -9.601   1.795  -5.158
  288    HE   ARG  40           HE       ARG  40  -7.322   0.842  -6.570
  289   HH11  ARG  40          1HH1      ARG  40 -10.760   0.180  -5.929
  290   HH12  ARG  40          2HH1      ARG  40 -10.947  -0.769  -7.330
  291   HH21  ARG  40          1HH2      ARG  40  -7.628  -0.418  -8.447
  292   HH22  ARG  40          2HH2      ARG  40  -9.157  -1.088  -8.838
  293    H    CYS  41           HN       CYS  41  -5.912   1.034  -2.809
  294    HA   CYS  41           HA       CYS  41  -4.584   1.613  -0.316
  295    HB2  CYS  41          2HB       CYS  41  -4.123  -0.434  -2.412
  296    HB3  CYS  41          1HB       CYS  41  -2.843  -0.003  -1.277
  297    H    TRP  42           HN       TRP  42  -3.234   3.042  -0.061
  298    HA   TRP  42           HA       TRP  42  -1.690   4.055  -2.316
  299    HB2  TRP  42          2HB       TRP  42  -2.644   5.252   0.256
  300    HB3  TRP  42          1HB       TRP  42  -1.124   5.803  -0.424
  301    HD1  TRP  42          1HD       TRP  42  -1.237   7.531  -2.363
  302    HE1  TRP  42          1HE       TRP  42  -3.141   8.794  -3.541
  303    HE3  TRP  42          3HE       TRP  42  -5.244   4.845  -0.621
  304    HZ2  TRP  42          2HZ       TRP  42  -5.938   8.682  -3.705
  305    HZ3  TRP  42          3HZ       TRP  42  -7.492   5.510  -1.351
  306    HH2  TRP  42          2HH       TRP  42  -7.813   7.395  -2.875
  307    H    CYS  43           HN       CYS  43   0.288   3.296  -2.369
  308    HA   CYS  43           HA       CYS  43   1.307   1.888  -0.075
  309    HB2  CYS  43          2HB       CYS  43   2.409   2.181  -2.868
  310    HB3  CYS  43          1HB       CYS  43   3.093   1.173  -1.597
  311    H    THR  44           HN       THR  44   3.062   2.475   1.045
  312    HA   THR  44           HA       THR  44   3.846   5.270   0.839
  313    HB   THR  44           HB       THR  44   4.466   3.232   2.978
  314    HG1  THR  44          1HG       THR  44   2.115   4.215   2.223
  315   HG21  THR  44          1HG2      THR  44   5.768   5.322   3.040
  316   HG22  THR  44          2HG2      THR  44   4.651   5.235   4.402
  317   HG23  THR  44          3HG2      THR  44   4.273   6.257   3.017
  318    H    LYS  45           HN       LYS  45   5.767   5.669  -0.155
  319    HA   LYS  45           HA       LYS  45   7.807   3.599  -0.020
  320    HB2  LYS  45          2HB       LYS  45   8.393   3.992  -2.366
  321    HB3  LYS  45          1HB       LYS  45   6.783   3.322  -2.157
  322    HG2  LYS  45          2HG       LYS  45   5.885   5.651  -2.468
  323    HG3  LYS  45          1HG       LYS  45   7.524   6.144  -2.901
  324    HD2  LYS  45          2HD       LYS  45   5.883   4.026  -4.293
  325    HD3  LYS  45          1HD       LYS  45   6.185   5.649  -4.907
  326    HE2  LYS  45          2HE       LYS  45   8.572   5.163  -5.056
  327    HE3  LYS  45          1HE       LYS  45   8.312   3.573  -4.348
  328    HZ1  LYS  45          1HZ       LYS  45   7.289   4.485  -6.990
  329    HZ2  LYS  45          2HZ       LYS  45   6.965   2.989  -6.275
  330    HZ3  LYS  45          3HZ       LYS  45   8.537   3.383  -6.685
  331    H    ASN  46           HN       ASN  46   9.920   4.325  -0.146
  332    HA   ASN  46           HA       ASN  46  10.299   6.925   1.014
  333    HB2  ASN  46          2HB       ASN  46  12.312   4.826   0.197
  334    HB3  ASN  46          1HB       ASN  46  12.723   6.333   0.993
  335   HD21  ASN  46          1HD2      ASN  46  13.586   5.374   2.752
  336   HD22  ASN  46          2HD2      ASN  46  12.659   4.509   3.923
  337    H    CYS  47           HN       CYS  47  11.033   8.704   0.109
  338    HA   CYS  47           HA       CYS  47  12.220   8.573  -2.537
  339    HB2  CYS  47          2HB       CYS  47  10.280  10.698  -1.549
  340    HB3  CYS  47          1HB       CYS  47  11.051  10.654  -3.128
  Start of MODEL    9
    1    H1   LYS   1          1HT       LYS   1  13.071  12.362   2.598
    2    H2   LYS   1          2HT       LYS   1  12.590  11.558   1.151
    3    H3   LYS   1          3HT       LYS   1  12.847  10.696   2.541
    4    HA   LYS   1           HA       LYS   1  10.984  11.613   3.630
    5    HB2  LYS   1          2HB       LYS   1  11.156  13.876   2.418
    6    HB3  LYS   1          1HB       LYS   1  10.451  13.077   1.023
    7    HG2  LYS   1          2HG       LYS   1   8.427  12.592   2.332
    8    HG3  LYS   1          1HG       LYS   1   9.141  13.402   3.722
    9    HD2  LYS   1          2HD       LYS   1   7.625  14.921   2.673
   10    HD3  LYS   1          1HD       LYS   1   9.265  15.485   2.360
   11    HE2  LYS   1          2HE       LYS   1   7.955  15.696   0.351
   12    HE3  LYS   1          1HE       LYS   1   9.150  14.429   0.117
   13    HZ1  LYS   1          1HZ       LYS   1   7.012  13.797  -0.744
   14    HZ2  LYS   1          2HZ       LYS   1   6.265  14.021   0.739
   15    HZ3  LYS   1          3HZ       LYS   1   7.374  12.765   0.534
   16    H    THR   2           HN       THR   2   8.819  10.699   3.174
   17    HA   THR   2           HA       THR   2   9.078   8.451   1.479
   18    HB   THR   2           HB       THR   2   6.723   8.033   2.261
   19    HG1  THR   2          1HG       THR   2   5.731   9.507   3.387
   20   HG21  THR   2          1HG2      THR   2   7.423   7.460   4.552
   21   HG22  THR   2          2HG2      THR   2   8.847   8.495   4.358
   22   HG23  THR   2          3HG2      THR   2   8.656   7.057   3.353
   23    H    CYS   3           HN       CYS   3   7.803   7.989  -0.221
   24    HA   CYS   3           HA       CYS   3   6.311  10.197  -1.472
   25    HB2  CYS   3          2HB       CYS   3   7.756   7.913  -2.866
   26    HB3  CYS   3          1HB       CYS   3   6.917   9.251  -3.645
   27    H    GLU   4           HN       GLU   4   4.248   9.508  -2.321
   28    HA   GLU   4           HA       GLU   4   3.543   6.751  -1.754
   29    HB2  GLU   4          2HB       GLU   4   3.291   8.057   0.327
   30    HB3  GLU   4          1HB       GLU   4   2.141   9.092  -0.497
   31    HG2  GLU   4          2HG       GLU   4   0.616   7.262  -0.747
   32    HG3  GLU   4          1HG       GLU   4   1.799   6.141  -0.063
   33    H    ASN   5           HN       ASN   5   2.304   6.033  -3.316
   34    HA   ASN   5           HA       ASN   5   0.482   7.829  -4.724
   35    HB2  ASN   5          2HB       ASN   5   2.605   7.669  -6.033
   36    HB3  ASN   5          1HB       ASN   5   2.448   5.922  -6.049
   37   HD21  ASN   5          1HD2      ASN   5   2.438   5.883  -8.293
   38   HD22  ASN   5          2HD2      ASN   5   1.101   6.401  -9.228
   39    H    LEU   6           HN       LEU   6  -1.066   6.475  -6.027
   40    HA   LEU   6           HA       LEU   6  -2.257   4.475  -4.461
   41    HB2  LEU   6          2HB       LEU   6  -2.686   5.414  -7.271
   42    HB3  LEU   6          1HB       LEU   6  -3.550   4.031  -6.643
   43    HG   LEU   6           HG       LEU   6  -3.681   6.771  -5.369
   44   HD11  LEU   6          1HD1      LEU   6  -5.571   5.421  -7.292
   45   HD12  LEU   6          2HD1      LEU   6  -4.585   6.846  -7.649
   46   HD13  LEU   6          3HD1      LEU   6  -5.869   6.933  -6.437
   47   HD21  LEU   6          1HD2      LEU   6  -5.382   4.297  -5.108
   48   HD22  LEU   6          2HD2      LEU   6  -5.660   5.844  -4.317
   49   HD23  LEU   6          3HD2      LEU   6  -4.235   4.892  -3.904
   50    H    ALA   7           HN       ALA   7  -2.322   2.354  -4.622
   51    HA   ALA   7           HA       ALA   7  -0.173   0.993  -5.918
   52    HB1  ALA   7          1HB       ALA   7  -2.625  -0.090  -4.542
   53    HB2  ALA   7          2HB       ALA   7  -1.087   0.263  -3.762
   54    HB3  ALA   7          3HB       ALA   7  -1.189  -1.027  -4.972
   55    H    ASP   8           HN       ASP   8  -0.179   0.272  -7.915
   56    HA   ASP   8           HA       ASP   8  -2.671   0.308  -9.465
   57    HB2  ASP   8          2HB       ASP   8  -0.846   1.640 -10.352
   58    HB3  ASP   8          1HB       ASP   8   0.221   0.241 -10.328
   59    H    THR   9           HN       THR   9   0.079  -1.737  -8.570
   60    HA   THR   9           HA       THR   9  -0.608  -3.956 -10.108
   61    HB   THR   9           HB       THR   9   0.931  -3.810  -7.509
   62    HG1  THR   9          1HG       THR   9   2.460  -2.879  -8.583
   63   HG21  THR   9          1HG2      THR   9   2.133  -5.731  -8.421
   64   HG22  THR   9          2HG2      THR   9   1.089  -5.699  -9.852
   65   HG23  THR   9          3HG2      THR   9   0.405  -6.073  -8.264
   66    H    TYR  10           HN       TYR  10  -1.442  -2.843  -6.881
   67    HA   TYR  10           HA       TYR  10  -2.842  -5.202  -6.146
   68    HB2  TYR  10          2HB       TYR  10  -1.917  -3.570  -4.491
   69    HB3  TYR  10          1HB       TYR  10  -3.116  -2.401  -5.033
   70    HD1  TYR  10          1HD       TYR  10  -5.288  -2.405  -4.104
   71    HD2  TYR  10          2HD       TYR  10  -2.728  -5.733  -3.495
   72    HE1  TYR  10          1HE       TYR  10  -6.873  -3.304  -2.504
   73    HE2  TYR  10          2HE       TYR  10  -4.295  -6.665  -1.887
   74    HH   TYR  10           HH       TYR  10  -6.061  -5.951  -0.452
   75    H    LYS  11           HN       LYS  11  -4.752  -5.758  -6.834
   76    HA   LYS  11           HA       LYS  11  -6.309  -3.743  -8.240
   77    HB2  LYS  11          2HB       LYS  11  -7.162  -5.623  -9.641
   78    HB3  LYS  11          1HB       LYS  11  -5.442  -5.309  -9.803
   79    HG2  LYS  11          2HG       LYS  11  -5.011  -7.201  -8.238
   80    HG3  LYS  11          1HG       LYS  11  -6.737  -7.546  -8.257
   81    HD2  LYS  11          2HD       LYS  11  -5.647  -9.017  -9.811
   82    HD3  LYS  11          1HD       LYS  11  -6.582  -7.830 -10.724
   83    HE2  LYS  11          2HE       LYS  11  -4.558  -6.545 -11.159
   84    HE3  LYS  11          1HE       LYS  11  -3.619  -7.668 -10.188
   85    HZ1  LYS  11          1HZ       LYS  11  -5.028  -8.308 -12.726
   86    HZ2  LYS  11          2HZ       LYS  11  -4.201  -9.422 -11.783
   87    HZ3  LYS  11          3HZ       LYS  11  -3.367  -8.157 -12.506
   88    H    GLY  12           HN       GLY  12  -8.143  -3.231  -7.381
   89    HA2  GLY  12          2HA       GLY  12 -10.363  -4.107  -6.770
   90    HA3  GLY  12          1HA       GLY  12  -9.516  -5.189  -5.673
   91    HA   PRO  13           HA       PRO  13 -10.430  -1.103  -3.522
   92    HB2  PRO  13          2HB       PRO  13 -12.696  -1.714  -2.169
   93    HB3  PRO  13          1HB       PRO  13 -12.730  -1.026  -3.794
   94    HG2  PRO  13          2HG       PRO  13 -13.128  -3.850  -2.926
   95    HG3  PRO  13          1HG       PRO  13 -13.944  -2.950  -4.213
   96    HD2  PRO  13          2HD       PRO  13 -11.894  -4.754  -4.618
   97    HD3  PRO  13          1HD       PRO  13 -12.322  -3.450  -5.741
   98    H    CYS  14           HN       CYS  14  -9.662  -0.830  -1.467
   99    HA   CYS  14           HA       CYS  14  -8.874  -3.271  -0.103
  100    HB2  CYS  14          2HB       CYS  14  -7.116  -1.666  -0.552
  101    HB3  CYS  14          1HB       CYS  14  -8.017  -0.411   0.293
  102    H    PHE  15           HN       PHE  15 -10.071  -3.977   1.457
  103    HA   PHE  15           HA       PHE  15 -11.862  -2.168   2.867
  104    HB2  PHE  15          2HB       PHE  15 -11.656  -5.186   3.007
  105    HB3  PHE  15          1HB       PHE  15 -12.916  -4.191   3.720
  106    HD1  PHE  15          1HD       PHE  15 -14.295  -2.736   2.094
  107    HD2  PHE  15          2HD       PHE  15 -11.944  -6.071   0.888
  108    HE1  PHE  15          1HE       PHE  15 -15.603  -2.907   0.030
  109    HE2  PHE  15          2HE       PHE  15 -13.253  -6.246  -1.184
  110    HZ   PHE  15           HZ       PHE  15 -15.087  -4.662  -1.615
  111    H    THR  16           HN       THR  16  -9.330  -4.551   3.418
  112    HA   THR  16           HA       THR  16  -8.990  -3.571   6.164
  113    HB   THR  16           HB       THR  16  -7.923  -6.107   4.953
  114    HG1  THR  16          1HG       THR  16 -10.471  -5.447   5.923
  115   HG21  THR  16          1HG2      THR  16  -8.462  -5.279   7.808
  116   HG22  THR  16          2HG2      THR  16  -6.878  -5.383   7.033
  117   HG23  THR  16          3HG2      THR  16  -7.827  -6.844   7.300
  118    H    THR  17           HN       THR  17  -7.397  -2.073   6.152
  119    HA   THR  17           HA       THR  17  -5.630  -1.666   4.062
  120    HB   THR  17           HB       THR  17  -6.250   0.138   5.657
  121    HG1  THR  17          1HG       THR  17  -3.424  -0.197   5.617
  122   HG21  THR  17          1HG2      THR  17  -6.070  -1.094   7.760
  123   HG22  THR  17          2HG2      THR  17  -5.032   0.336   7.797
  124   HG23  THR  17          3HG2      THR  17  -4.332  -1.258   7.523
  125    H    GLY  18           HN       GLY  18  -5.181  -3.631   6.931
  126    HA2  GLY  18          2HA       GLY  18  -2.402  -3.903   6.800
  127    HA3  GLY  18          1HA       GLY  18  -3.506  -5.053   7.537
  128    H    SER  19           HN       SER  19  -4.928  -5.465   4.967
  129    HA   SER  19           HA       SER  19  -3.324  -7.632   4.080
  130    HB2  SER  19          2HB       SER  19  -5.868  -6.522   2.875
  131    HB3  SER  19          1HB       SER  19  -5.226  -8.163   2.703
  132    HG   SER  19           HG       SER  19  -5.329  -7.786   5.244
  133    H    CYS  20           HN       CYS  20  -4.150  -4.428   2.848
  134    HA   CYS  20           HA       CYS  20  -2.810  -4.840   0.338
  135    HB2  CYS  20          2HB       CYS  20  -4.771  -3.312   0.607
  136    HB3  CYS  20          1HB       CYS  20  -3.769  -2.267   1.605
  137    H    ASP  21           HN       ASP  21  -2.123  -3.435   3.467
  138    HA   ASP  21           HA       ASP  21   0.332  -2.191   3.012
  139    HB2  ASP  21          2HB       ASP  21  -0.877  -2.028   5.142
  140    HB3  ASP  21          1HB       ASP  21  -0.643  -3.745   5.421
  141    H    ASP  22           HN       ASP  22  -0.473  -5.491   3.816
  142    HA   ASP  22           HA       ASP  22   2.061  -6.660   3.830
  143    HB2  ASP  22          2HB       ASP  22   0.061  -7.824   4.606
  144    HB3  ASP  22          1HB       ASP  22  -0.595  -7.770   2.979
  145    H    HIS  23           HN       HIS  23  -0.239  -6.232   1.166
  146    HA   HIS  23           HA       HIS  23   1.245  -7.512  -0.833
  147    HB2  HIS  23          2HB       HIS  23  -1.126  -7.008  -1.151
  148    HB3  HIS  23          1HB       HIS  23  -0.801  -5.285  -1.071
  149    HD1  HIS  23          1HD       HIS  23  -0.683  -8.208  -3.447
  150    HD2  HIS  23          2HD       HIS  23   0.289  -4.162  -3.414
  151    HE1  HIS  23          1HE       HIS  23  -0.383  -7.544  -5.848
  152    H    CYS  24           HN       CYS  24   1.030  -4.041  -0.105
  153    HA   CYS  24           HA       CYS  24   2.900  -3.351  -2.051
  154    HB2  CYS  24          2HB       CYS  24   1.875  -1.825   0.320
  155    HB3  CYS  24          1HB       CYS  24   3.016  -1.123  -0.823
  156    H    LYS  25           HN       LYS  25   3.462  -4.345   1.254
  157    HA   LYS  25           HA       LYS  25   6.215  -3.486   1.182
  158    HB2  LYS  25          2HB       LYS  25   4.837  -5.386   3.060
  159    HB3  LYS  25          1HB       LYS  25   6.458  -4.740   3.283
  160    HG2  LYS  25          2HG       LYS  25   5.561  -2.501   3.481
  161    HG3  LYS  25          1HG       LYS  25   3.932  -3.113   3.187
  162    HD2  LYS  25          2HD       LYS  25   5.711  -3.719   5.549
  163    HD3  LYS  25          1HD       LYS  25   4.228  -2.767   5.552
  164    HE2  LYS  25          2HE       LYS  25   2.997  -4.814   4.800
  165    HE3  LYS  25          1HE       LYS  25   4.485  -5.727   5.029
  166    HZ1  LYS  25          1HZ       LYS  25   2.885  -4.304   7.021
  167    HZ2  LYS  25          2HZ       LYS  25   4.438  -4.926   7.371
  168    HZ3  LYS  25          3HZ       LYS  25   3.168  -5.968   6.965
  169    H    ASN  26           HN       ASN  26   4.478  -6.466   0.541
  170    HA   ASN  26           HA       ASN  26   6.991  -7.906   0.284
  171    HB2  ASN  26          2HB       ASN  26   4.136  -8.857   0.141
  172    HB3  ASN  26          1HB       ASN  26   5.500  -9.897  -0.243
  173   HD21  ASN  26          1HD2      ASN  26   3.703  -8.329   2.244
  174   HD22  ASN  26          2HD2      ASN  26   4.500  -9.075   3.582
  175    H    LYS  27           HN       LYS  27   4.157  -7.445  -1.804
  176    HA   LYS  27           HA       LYS  27   5.431  -8.488  -4.092
  177    HB2  LYS  27          2HB       LYS  27   3.060  -8.591  -4.021
  178    HB3  LYS  27          1HB       LYS  27   2.919  -6.875  -3.684
  179    HG2  LYS  27          2HG       LYS  27   2.251  -7.317  -5.952
  180    HG3  LYS  27          1HG       LYS  27   3.753  -6.393  -5.954
  181    HD2  LYS  27          2HD       LYS  27   4.942  -8.624  -6.196
  182    HD3  LYS  27          1HD       LYS  27   3.352  -9.312  -6.548
  183    HE2  LYS  27          2HE       LYS  27   4.440  -8.771  -8.608
  184    HE3  LYS  27          1HE       LYS  27   3.099  -7.654  -8.368
  185    HZ1  LYS  27          1HZ       LYS  27   5.957  -7.063  -7.792
  186    HZ2  LYS  27          2HZ       LYS  27   4.703  -5.956  -7.599
  187    HZ3  LYS  27          3HZ       LYS  27   5.120  -6.499  -9.128
  188    H    GLU  28           HN       GLU  28   4.715  -5.191  -3.070
  189    HA   GLU  28           HA       GLU  28   6.120  -4.215  -5.408
  190    HB2  GLU  28          2HB       GLU  28   4.561  -2.713  -3.317
  191    HB3  GLU  28          1HB       GLU  28   5.306  -1.984  -4.735
  192    HG2  GLU  28          2HG       GLU  28   3.191  -4.124  -4.813
  193    HG3  GLU  28          1HG       GLU  28   2.901  -2.400  -5.027
  194    H    HIS  29           HN       HIS  29   6.901  -4.916  -2.245
  195    HA   HIS  29           HA       HIS  29   8.770  -4.661  -0.973
  196    HB2  HIS  29          2HB       HIS  29   9.860  -5.373  -3.136
  197    HB3  HIS  29          1HB       HIS  29  10.044  -3.683  -3.566
  198    HD1  HIS  29          1HD       HIS  29  12.189  -2.572  -2.794
  199    HD2  HIS  29          2HD       HIS  29  11.433  -6.155  -0.834
  200    HE1  HIS  29          1HE       HIS  29  14.270  -3.081  -1.449
  201    H    LEU  30           HN       LEU  30   6.874  -2.496  -1.168
  202    HA   LEU  30           HA       LEU  30   8.461  -0.066  -1.049
  203    HB2  LEU  30          2HB       LEU  30   5.499  -0.457  -0.606
  204    HB3  LEU  30          1HB       LEU  30   6.319   1.080  -0.769
  205    HG   LEU  30           HG       LEU  30   5.960  -1.002  -2.912
  206   HD11  LEU  30          1HD1      LEU  30   4.593   0.681  -4.004
  207   HD12  LEU  30          2HD1      LEU  30   4.814   1.760  -2.627
  208   HD13  LEU  30          3HD1      LEU  30   3.947   0.236  -2.425
  209   HD21  LEU  30          1HD2      LEU  30   6.991   0.633  -4.438
  210   HD22  LEU  30          2HD2      LEU  30   8.115   0.067  -3.206
  211   HD23  LEU  30          3HD2      LEU  30   7.387   1.664  -3.063
  212    H    ARG  31           HN       ARG  31   7.266   1.379   0.915
  213    HA   ARG  31           HA       ARG  31   8.538   0.263   3.221
  214    HB2  ARG  31          2HB       ARG  31   8.747   2.631   2.809
  215    HB3  ARG  31          1HB       ARG  31   7.005   2.822   2.761
  216    HG2  ARG  31          2HG       ARG  31   6.877   2.300   5.146
  217    HG3  ARG  31          1HG       ARG  31   8.631   2.093   5.192
  218    HD2  ARG  31          2HD       ARG  31   8.951   4.396   4.530
  219    HD3  ARG  31          1HD       ARG  31   7.214   4.617   4.367
  220    HE   ARG  31           HE       ARG  31   7.124   4.113   6.798
  221   HH11  ARG  31          1HH1      ARG  31  10.031   5.594   5.354
  222   HH12  ARG  31          2HH1      ARG  31  10.475   6.416   6.772
  223   HH21  ARG  31          1HH2      ARG  31   7.761   5.286   8.746
  224   HH22  ARG  31          2HH2      ARG  31   9.154   6.252   8.739
  225    H    SER  32           HN       SER  32   5.198   1.192   2.381
  226    HA   SER  32           HA       SER  32   4.091  -0.945   3.844
  227    HB2  SER  32          2HB       SER  32   2.925   0.525   5.538
  228    HB3  SER  32          1HB       SER  32   4.654   0.318   5.800
  229    HG   SER  32           HG       SER  32   3.223   2.552   5.284
  230    H    GLY  33           HN       GLY  33   1.607  -0.463   4.052
  231    HA2  GLY  33          2HA       GLY  33   0.776   1.202   1.790
  232    HA3  GLY  33          1HA       GLY  33   0.158  -0.436   1.967
  233    H    ARG  34           HN       ARG  34  -1.107   2.320   2.116
  234    HA   ARG  34           HA       ARG  34  -2.643   1.592   4.420
  235    HB2  ARG  34          2HB       ARG  34  -2.824   4.003   5.131
  236    HB3  ARG  34          1HB       ARG  34  -1.311   3.197   5.475
  237    HG2  ARG  34          2HG       ARG  34  -0.270   4.321   3.587
  238    HG3  ARG  34          1HG       ARG  34  -1.805   5.119   3.213
  239    HD2  ARG  34          2HD       ARG  34  -1.809   6.227   5.320
  240    HD3  ARG  34          1HD       ARG  34  -0.381   5.343   5.856
  241    HE   ARG  34           HE       ARG  34   0.252   6.750   3.515
  242   HH11  ARG  34          1HH1      ARG  34  -0.646   7.513   6.857
  243   HH12  ARG  34          2HH1      ARG  34   0.332   8.894   6.937
  244   HH21  ARG  34          1HH2      ARG  34   1.516   8.543   3.611
  245   HH22  ARG  34          2HH2      ARG  34   1.627   9.532   5.020
  246    H    CYS  35           HN       CYS  35  -4.559   1.446   4.003
  247    HA   CYS  35           HA       CYS  35  -5.618   2.498   1.539
  248    HB2  CYS  35          2HB       CYS  35  -6.944   0.797   3.646
  249    HB3  CYS  35          1HB       CYS  35  -7.471   1.041   1.981
  250    H    ARG  36           HN       ARG  36  -6.640   4.291   1.479
  251    HA   ARG  36           HA       ARG  36  -7.253   5.799   3.839
  252    HB2  ARG  36          2HB       ARG  36  -7.756   6.261   0.909
  253    HB3  ARG  36          1HB       ARG  36  -8.306   7.375   2.156
  254    HG2  ARG  36          2HG       ARG  36  -5.427   6.561   1.889
  255    HG3  ARG  36          1HG       ARG  36  -6.111   7.933   1.014
  256    HD2  ARG  36          2HD       ARG  36  -6.196   7.610   4.020
  257    HD3  ARG  36          1HD       ARG  36  -4.999   8.564   3.147
  258    HE   ARG  36           HE       ARG  36  -7.246   9.589   2.208
  259   HH11  ARG  36          1HH1      ARG  36  -6.452   8.867   5.597
  260   HH12  ARG  36          2HH1      ARG  36  -7.235  10.252   6.207
  261   HH21  ARG  36          1HH2      ARG  36  -8.330  11.489   3.092
  262   HH22  ARG  36          2HH2      ARG  36  -8.341  11.741   4.769
  263    H    ASP  37           HN       ASP  37  -9.526   6.873   3.905
  264    HA   ASP  37           HA       ASP  37 -11.368   4.833   4.510
  265    HB2  ASP  37          2HB       ASP  37 -11.308   7.027   5.666
  266    HB3  ASP  37          1HB       ASP  37 -11.884   7.798   4.195
  267    H    ASP  38           HN       ASP  38 -10.711   6.508   1.621
  268    HA   ASP  38           HA       ASP  38 -13.200   5.949   0.280
  269    HB2  ASP  38          2HB       ASP  38 -10.509   6.808  -0.812
  270    HB3  ASP  38          1HB       ASP  38 -11.935   6.572  -1.809
  271    H    PHE  39           HN       PHE  39 -11.058   3.870   1.406
  272    HA   PHE  39           HA       PHE  39 -10.600   1.684   1.074
  273    HB2  PHE  39          2HB       PHE  39 -12.574   1.877  -1.229
  274    HB3  PHE  39          1HB       PHE  39 -11.880   0.374  -0.638
  275    HD1  PHE  39          1HD       PHE  39 -12.575  -0.550   1.490
  276    HD2  PHE  39          2HD       PHE  39 -14.290   3.042   0.007
  277    HE1  PHE  39          1HE       PHE  39 -14.417  -0.757   3.117
  278    HE2  PHE  39          2HE       PHE  39 -16.119   2.847   1.630
  279    HZ   PHE  39           HZ       PHE  39 -16.189   0.952   3.182
  280    H    ARG  40           HN       ARG  40  -9.252   3.908  -0.454
  281    HA   ARG  40           HA       ARG  40  -8.078   2.315  -2.611
  282    HB2  ARG  40          2HB       ARG  40  -8.366   5.236  -2.252
  283    HB3  ARG  40          1HB       ARG  40  -6.912   4.677  -3.070
  284    HG2  ARG  40          2HG       ARG  40  -8.621   5.215  -4.675
  285    HG3  ARG  40          1HG       ARG  40  -8.284   3.480  -4.655
  286    HD2  ARG  40          2HD       ARG  40 -10.245   3.162  -3.195
  287    HD3  ARG  40          1HD       ARG  40 -10.605   4.877  -3.344
  288    HE   ARG  40           HE       ARG  40 -10.400   3.896  -5.883
  289   HH11  ARG  40          1HH1      ARG  40 -12.518   3.566  -3.063
  290   HH12  ARG  40          2HH1      ARG  40 -13.831   2.942  -3.938
  291   HH21  ARG  40          1HH2      ARG  40 -12.236   3.024  -7.091
  292   HH22  ARG  40          2HH2      ARG  40 -13.679   2.626  -6.268
  293    H    CYS  41           HN       CYS  41  -6.134   1.648  -2.678
  294    HA   CYS  41           HA       CYS  41  -4.491   1.745  -0.342
  295    HB2  CYS  41          2HB       CYS  41  -4.234   0.417  -3.012
  296    HB3  CYS  41          1HB       CYS  41  -2.956   0.340  -1.819
  297    H    TRP  42           HN       TRP  42  -3.392   3.566   0.014
  298    HA   TRP  42           HA       TRP  42  -1.700   4.558  -2.149
  299    HB2  TRP  42          2HB       TRP  42  -2.970   5.823   0.204
  300    HB3  TRP  42          1HB       TRP  42  -1.288   6.267  -0.042
  301    HD1  TRP  42          1HD       TRP  42  -0.697   7.618  -2.292
  302    HE1  TRP  42          1HE       TRP  42  -2.129   9.132  -3.783
  303    HE3  TRP  42          3HE       TRP  42  -5.365   6.122  -0.764
  304    HZ2  TRP  42          2HZ       TRP  42  -4.854   9.646  -4.250
  305    HZ3  TRP  42          3HZ       TRP  42  -7.320   7.207  -1.789
  306    HH2  TRP  42          2HH       TRP  42  -7.063   8.922  -3.498
  307    H    CYS  43           HN       CYS  43   0.274   3.737  -2.108
  308    HA   CYS  43           HA       CYS  43   1.088   2.621   0.443
  309    HB2  CYS  43          2HB       CYS  43   1.825   1.677  -2.318
  310    HB3  CYS  43          1HB       CYS  43   2.476   1.009  -0.816
  311    H    THR  44           HN       THR  44   2.707   3.248   1.445
  312    HA   THR  44           HA       THR  44   4.106   5.593   0.645
  313    HB   THR  44           HB       THR  44   4.499   3.882   3.093
  314    HG1  THR  44          1HG       THR  44   2.482   5.879   2.641
  315   HG21  THR  44          1HG2      THR  44   6.050   5.756   2.780
  316   HG22  THR  44          2HG2      THR  44   4.973   6.057   4.147
  317   HG23  THR  44          3HG2      THR  44   4.686   6.856   2.600
  318    H    LYS  45           HN       LYS  45   6.220   5.633  -0.055
  319    HA   LYS  45           HA       LYS  45   7.915   3.326   0.467
  320    HB2  LYS  45          2HB       LYS  45   8.878   3.441  -1.785
  321    HB3  LYS  45          1HB       LYS  45   7.146   3.150  -1.845
  322    HG2  LYS  45          2HG       LYS  45   6.731   5.424  -2.509
  323    HG3  LYS  45          1HG       LYS  45   8.438   5.827  -2.303
  324    HD2  LYS  45          2HD       LYS  45   9.030   4.206  -4.041
  325    HD3  LYS  45          1HD       LYS  45   7.327   3.819  -4.259
  326    HE2  LYS  45          2HE       LYS  45   8.481   6.569  -4.636
  327    HE3  LYS  45          1HE       LYS  45   8.316   5.401  -5.942
  328    HZ1  LYS  45          1HZ       LYS  45   6.484   6.925  -5.912
  329    HZ2  LYS  45          2HZ       LYS  45   6.063   6.531  -4.338
  330    HZ3  LYS  45          3HZ       LYS  45   5.918   5.396  -5.555
  331    H    ASN  46           HN       ASN  46  10.267   3.996   0.115
  332    HA   ASN  46           HA       ASN  46  10.547   6.625   1.392
  333    HB2  ASN  46          2HB       ASN  46  12.413   4.248   1.326
  334    HB3  ASN  46          1HB       ASN  46  12.862   5.812   1.982
  335   HD21  ASN  46          1HD2      ASN  46  12.686   3.220   3.228
  336   HD22  ASN  46          2HD2      ASN  46  11.635   3.393   4.585
  337    H    CYS  47           HN       CYS  47  11.843   8.192   0.552
  338    HA   CYS  47           HA       CYS  47  13.217   7.576  -1.936
  339    HB2  CYS  47          2HB       CYS  47  11.516  10.010  -1.374
  340    HB3  CYS  47          1HB       CYS  47  12.472   9.741  -2.830
  Start of MODEL   10
    1    H1   LYS   1          1HT       LYS   1  12.146  10.818   3.232
    2    H2   LYS   1          2HT       LYS   1  12.720  12.345   2.834
    3    H3   LYS   1          3HT       LYS   1  12.518  11.144   1.631
    4    HA   LYS   1           HA       LYS   1  10.333  12.358   3.201
    5    HB2  LYS   1          2HB       LYS   1  11.309  13.835   1.424
    6    HB3  LYS   1          1HB       LYS   1  11.048  12.554   0.253
    7    HG2  LYS   1          2HG       LYS   1   8.615  12.717   0.669
    8    HG3  LYS   1          1HG       LYS   1   8.918  14.070   1.756
    9    HD2  LYS   1          2HD       LYS   1   9.953  15.305  -0.104
   10    HD3  LYS   1          1HD       LYS   1   9.592  13.956  -1.182
   11    HE2  LYS   1          2HE       LYS   1   7.191  14.244  -0.683
   12    HE3  LYS   1          1HE       LYS   1   7.588  15.638   0.318
   13    HZ1  LYS   1          1HZ       LYS   1   6.898  16.346  -1.851
   14    HZ2  LYS   1          2HZ       LYS   1   8.027  15.367  -2.596
   15    HZ3  LYS   1          3HZ       LYS   1   8.548  16.691  -1.697
   16    H    THR   2           HN       THR   2   8.262  11.361   2.687
   17    HA   THR   2           HA       THR   2   8.668   8.775   1.471
   18    HB   THR   2           HB       THR   2   6.337   8.361   2.509
   19    HG1  THR   2          1HG       THR   2   5.595  10.029   3.518
   20   HG21  THR   2          1HG2      THR   2   7.391   7.685   4.638
   21   HG22  THR   2          2HG2      THR   2   8.803   8.665   4.234
   22   HG23  THR   2          3HG2      THR   2   8.388   7.265   3.244
   23    H    CYS   3           HN       CYS   3   7.763   8.242  -0.312
   24    HA   CYS   3           HA       CYS   3   5.979  10.134  -1.663
   25    HB2  CYS   3          2HB       CYS   3   7.438   7.702  -2.744
   26    HB3  CYS   3          1HB       CYS   3   6.533   8.869  -3.695
   27    H    GLU   4           HN       GLU   4   3.960   9.292  -2.432
   28    HA   GLU   4           HA       GLU   4   3.215   6.677  -1.457
   29    HB2  GLU   4          2HB       GLU   4   3.057   8.269   0.456
   30    HB3  GLU   4          1HB       GLU   4   1.905   9.209  -0.463
   31    HG2  GLU   4          2HG       GLU   4   0.324   7.430  -0.391
   32    HG3  GLU   4          1HG       GLU   4   1.501   6.358   0.385
   33    H    ASN   5           HN       ASN   5   2.128   5.851  -3.077
   34    HA   ASN   5           HA       ASN   5   0.335   7.549  -4.652
   35    HB2  ASN   5          2HB       ASN   5   1.133   6.479  -6.754
   36    HB3  ASN   5          1HB       ASN   5   2.362   7.464  -5.974
   37   HD21  ASN   5          1HD2      ASN   5   1.398   4.190  -6.812
   38   HD22  ASN   5          2HD2      ASN   5   2.931   3.484  -6.475
   39    H    LEU   6           HN       LEU   6  -1.108   6.248  -6.052
   40    HA   LEU   6           HA       LEU   6  -2.321   4.241  -4.474
   41    HB2  LEU   6          2HB       LEU   6  -2.947   5.228  -7.240
   42    HB3  LEU   6          1HB       LEU   6  -3.856   3.972  -6.438
   43    HG   LEU   6           HG       LEU   6  -3.586   6.814  -5.453
   44   HD11  LEU   6          1HD1      LEU   6  -4.989   6.611  -7.449
   45   HD12  LEU   6          2HD1      LEU   6  -5.949   6.939  -5.991
   46   HD13  LEU   6          3HD1      LEU   6  -5.883   5.308  -6.658
   47   HD21  LEU   6          1HD2      LEU   6  -5.316   6.130  -3.875
   48   HD22  LEU   6          2HD2      LEU   6  -3.805   5.274  -3.626
   49   HD23  LEU   6          3HD2      LEU   6  -5.153   4.465  -4.433
   50    H    ALA   7           HN       ALA   7  -2.449   2.218  -4.656
   51    HA   ALA   7           HA       ALA   7  -0.498   0.846  -6.258
   52    HB1  ALA   7          1HB       ALA   7  -2.500  -0.178  -4.267
   53    HB2  ALA   7          2HB       ALA   7  -0.845   0.291  -3.905
   54    HB3  ALA   7          3HB       ALA   7  -1.159  -1.106  -4.953
   55    H    ASP   8           HN       ASP   8  -1.104   0.672  -8.311
   56    HA   ASP   8           HA       ASP   8  -3.826   0.098  -9.124
   57    HB2  ASP   8          2HB       ASP   8  -2.943   0.060 -11.419
   58    HB3  ASP   8          1HB       ASP   8  -2.360   1.487 -10.572
   59    H    THR   9           HN       THR   9  -1.020  -1.601  -8.249
   60    HA   THR   9           HA       THR   9  -1.541  -4.060  -9.514
   61    HB   THR   9           HB       THR   9   0.096  -3.512  -7.038
   62    HG1  THR   9          1HG       THR   9   0.719  -3.128  -9.789
   63   HG21  THR   9          1HG2      THR   9   1.512  -5.251  -7.989
   64   HG22  THR   9          2HG2      THR   9   0.421  -5.386  -9.375
   65   HG23  THR   9          3HG2      THR   9  -0.136  -5.844  -7.761
   66    H    TYR  10           HN       TYR  10  -2.759  -2.419  -6.743
   67    HA   TYR  10           HA       TYR  10  -3.548  -4.805  -5.343
   68    HB2  TYR  10          2HB       TYR  10  -2.848  -2.775  -4.097
   69    HB3  TYR  10          1HB       TYR  10  -4.213  -1.904  -4.785
   70    HD1  TYR  10          1HD       TYR  10  -6.402  -2.152  -3.888
   71    HD2  TYR  10          2HD       TYR  10  -3.239  -4.611  -2.485
   72    HE1  TYR  10          1HE       TYR  10  -7.808  -2.878  -2.054
   73    HE2  TYR  10          2HE       TYR  10  -4.636  -5.360  -0.627
   74    HH   TYR  10           HH       TYR  10  -6.661  -4.499   0.643
   75    H    LYS  11           HN       LYS  11  -5.333  -5.823  -5.715
   76    HA   LYS  11           HA       LYS  11  -7.268  -4.647  -7.556
   77    HB2  LYS  11          2HB       LYS  11  -6.722  -7.532  -6.852
   78    HB3  LYS  11          1HB       LYS  11  -7.835  -6.968  -8.096
   79    HG2  LYS  11          2HG       LYS  11  -6.063  -6.083  -9.411
   80    HG3  LYS  11          1HG       LYS  11  -4.905  -6.304  -8.107
   81    HD2  LYS  11          2HD       LYS  11  -5.181  -8.747  -8.321
   82    HD3  LYS  11          1HD       LYS  11  -6.284  -8.480  -9.676
   83    HE2  LYS  11          2HE       LYS  11  -4.547  -7.400 -10.945
   84    HE3  LYS  11          1HE       LYS  11  -3.448  -7.470  -9.579
   85    HZ1  LYS  11          1HZ       LYS  11  -2.983  -9.206 -11.205
   86    HZ2  LYS  11          2HZ       LYS  11  -4.522  -9.860 -10.993
   87    HZ3  LYS  11          3HZ       LYS  11  -3.422  -9.844  -9.720
   88    H    GLY  12           HN       GLY  12  -8.936  -3.793  -6.574
   89    HA2  GLY  12          2HA       GLY  12 -11.099  -4.328  -5.625
   90    HA3  GLY  12          1HA       GLY  12 -10.257  -5.297  -4.418
   91    HA   PRO  13           HA       PRO  13 -10.593  -0.920  -2.748
   92    HB2  PRO  13          2HB       PRO  13 -12.909  -1.626  -1.164
   93    HB3  PRO  13          1HB       PRO  13 -12.787  -0.374  -2.401
   94    HG2  PRO  13          2HG       PRO  13 -14.310  -2.631  -2.682
   95    HG3  PRO  13          1HG       PRO  13 -13.615  -1.733  -4.041
   96    HD2  PRO  13          2HD       PRO  13 -12.623  -4.212  -2.704
   97    HD3  PRO  13          1HD       PRO  13 -12.704  -3.834  -4.442
   98    H    CYS  14           HN       CYS  14  -9.692  -0.540  -0.731
   99    HA   CYS  14           HA       CYS  14  -9.003  -2.948   0.701
  100    HB2  CYS  14          2HB       CYS  14  -7.208  -1.351   0.247
  101    HB3  CYS  14          1HB       CYS  14  -8.059  -0.122   1.184
  102    H    PHE  15           HN       PHE  15  -9.988  -3.643   2.389
  103    HA   PHE  15           HA       PHE  15 -11.626  -1.770   3.910
  104    HB2  PHE  15          2HB       PHE  15 -11.813  -4.777   3.665
  105    HB3  PHE  15          1HB       PHE  15 -12.786  -3.827   4.787
  106    HD1  PHE  15          1HD       PHE  15 -12.282  -4.793   1.308
  107    HD2  PHE  15          2HD       PHE  15 -14.504  -2.304   3.951
  108    HE1  PHE  15          1HE       PHE  15 -13.921  -4.369  -0.472
  109    HE2  PHE  15          2HE       PHE  15 -16.146  -1.879   2.179
  110    HZ   PHE  15           HZ       PHE  15 -15.858  -2.909  -0.040
  111    H    THR  16           HN       THR  16  -9.248  -4.333   4.153
  112    HA   THR  16           HA       THR  16  -8.701  -3.566   6.923
  113    HB   THR  16           HB       THR  16  -7.994  -6.116   5.463
  114    HG1  THR  16          1HG       THR  16 -10.145  -6.287   5.653
  115   HG21  THR  16          1HG2      THR  16  -6.597  -5.603   7.412
  116   HG22  THR  16          2HG2      THR  16  -7.624  -7.000   7.725
  117   HG23  THR  16          3HG2      THR  16  -8.040  -5.428   8.411
  118    H    THR  17           HN       THR  17  -6.840  -2.425   7.159
  119    HA   THR  17           HA       THR  17  -5.204  -1.630   5.085
  120    HB   THR  17           HB       THR  17  -4.473  -1.731   8.020
  121    HG1  THR  17          1HG       THR  17  -5.350   0.645   6.956
  122   HG21  THR  17          1HG2      THR  17  -2.575  -1.201   6.558
  123   HG22  THR  17          2HG2      THR  17  -3.065   0.225   7.475
  124   HG23  THR  17          3HG2      THR  17  -3.521   0.067   5.780
  125    H    GLY  18           HN       GLY  18  -4.764  -4.296   7.384
  126    HA2  GLY  18          2HA       GLY  18  -2.143  -5.004   6.913
  127    HA3  GLY  18          1HA       GLY  18  -3.409  -6.127   7.370
  128    H    SER  19           HN       SER  19  -4.981  -5.833   4.950
  129    HA   SER  19           HA       SER  19  -3.798  -7.817   3.358
  130    HB2  SER  19          2HB       SER  19  -5.975  -5.908   2.543
  131    HB3  SER  19          1HB       SER  19  -5.764  -7.592   2.059
  132    HG   SER  19           HG       SER  19  -6.500  -8.269   3.970
  133    H    CYS  20           HN       CYS  20  -3.898  -4.328   3.206
  134    HA   CYS  20           HA       CYS  20  -2.859  -4.185   0.501
  135    HB2  CYS  20          2HB       CYS  20  -4.603  -2.661   1.354
  136    HB3  CYS  20          1HB       CYS  20  -3.454  -2.046   2.531
  137    H    ASP  21           HN       ASP  21  -1.934  -3.540   3.804
  138    HA   ASP  21           HA       ASP  21   0.574  -2.410   3.436
  139    HB2  ASP  21          2HB       ASP  21  -0.648  -2.425   5.568
  140    HB3  ASP  21          1HB       ASP  21  -0.440  -4.166   5.677
  141    H    ASP  22           HN       ASP  22  -0.425  -5.765   3.809
  142    HA   ASP  22           HA       ASP  22   2.113  -6.984   3.701
  143    HB2  ASP  22          2HB       ASP  22  -0.062  -8.070   4.384
  144    HB3  ASP  22          1HB       ASP  22  -0.502  -8.115   2.684
  145    H    HIS  23           HN       HIS  23  -0.197  -6.061   1.216
  146    HA   HIS  23           HA       HIS  23   1.034  -7.293  -0.993
  147    HB2  HIS  23          2HB       HIS  23  -1.307  -6.533  -1.047
  148    HB3  HIS  23          1HB       HIS  23  -0.783  -4.866  -0.894
  149    HD1  HIS  23          1HD       HIS  23  -1.284  -7.579  -3.422
  150    HD2  HIS  23          2HD       HIS  23   0.324  -3.745  -3.243
  151    HE1  HIS  23          1HE       HIS  23  -0.975  -6.830  -5.806
  152    H    CYS  24           HN       CYS  24   1.135  -3.846  -0.071
  153    HA   CYS  24           HA       CYS  24   3.048  -3.433  -2.088
  154    HB2  CYS  24          2HB       CYS  24   1.927  -1.586  -0.035
  155    HB3  CYS  24          1HB       CYS  24   3.252  -1.073  -1.078
  156    H    LYS  25           HN       LYS  25   3.520  -4.303   1.208
  157    HA   LYS  25           HA       LYS  25   6.266  -3.415   1.148
  158    HB2  LYS  25          2HB       LYS  25   4.906  -5.337   3.006
  159    HB3  LYS  25          1HB       LYS  25   6.540  -4.731   3.221
  160    HG2  LYS  25          2HG       LYS  25   5.639  -2.460   3.461
  161    HG3  LYS  25          1HG       LYS  25   4.006  -3.106   3.278
  162    HD2  LYS  25          2HD       LYS  25   5.969  -3.672   5.504
  163    HD3  LYS  25          1HD       LYS  25   4.422  -2.830   5.625
  164    HE2  LYS  25          2HE       LYS  25   3.308  -4.940   4.874
  165    HE3  LYS  25          1HE       LYS  25   4.886  -5.717   4.972
  166    HZ1  LYS  25          1HZ       LYS  25   3.309  -4.534   7.154
  167    HZ2  LYS  25          2HZ       LYS  25   4.899  -5.066   7.374
  168    HZ3  LYS  25          3HZ       LYS  25   3.683  -6.161   6.966
  169    H    ASN  26           HN       ASN  26   4.542  -6.440   0.626
  170    HA   ASN  26           HA       ASN  26   7.064  -7.845   0.367
  171    HB2  ASN  26          2HB       ASN  26   4.219  -8.838   0.329
  172    HB3  ASN  26          1HB       ASN  26   5.628  -9.877   0.131
  173   HD21  ASN  26          1HD2      ASN  26   3.523  -9.650   2.252
  174   HD22  ASN  26          2HD2      ASN  26   4.404  -9.520   3.721
  175    H    LYS  27           HN       LYS  27   4.231  -7.223  -1.697
  176    HA   LYS  27           HA       LYS  27   5.415  -8.596  -3.936
  177    HB2  LYS  27          2HB       LYS  27   3.075  -6.677  -3.876
  178    HB3  LYS  27          1HB       LYS  27   3.507  -7.734  -5.206
  179    HG2  LYS  27          2HG       LYS  27   2.625  -8.648  -2.477
  180    HG3  LYS  27          1HG       LYS  27   1.595  -8.551  -3.904
  181    HD2  LYS  27          2HD       LYS  27   3.064 -10.165  -5.041
  182    HD3  LYS  27          1HD       LYS  27   4.040 -10.289  -3.574
  183    HE2  LYS  27          2HE       LYS  27   2.092 -11.089  -2.342
  184    HE3  LYS  27          1HE       LYS  27   1.111 -10.942  -3.797
  185    HZ1  LYS  27          1HZ       LYS  27   2.454 -12.628  -4.848
  186    HZ2  LYS  27          2HZ       LYS  27   1.860 -13.220  -3.377
  187    HZ3  LYS  27          3HZ       LYS  27   3.457 -12.730  -3.511
  188    H    GLU  28           HN       GLU  28   4.725  -5.236  -3.135
  189    HA   GLU  28           HA       GLU  28   6.160  -4.320  -5.477
  190    HB2  GLU  28          2HB       GLU  28   4.692  -2.791  -3.338
  191    HB3  GLU  28          1HB       GLU  28   5.468  -2.055  -4.734
  192    HG2  GLU  28          2HG       GLU  28   3.217  -4.050  -4.828
  193    HG3  GLU  28          1HG       GLU  28   3.079  -2.311  -5.097
  194    H    HIS  29           HN       HIS  29   6.911  -4.945  -2.276
  195    HA   HIS  29           HA       HIS  29   8.688  -4.637  -0.942
  196    HB2  HIS  29          2HB       HIS  29   9.849  -5.602  -2.989
  197    HB3  HIS  29          1HB       HIS  29  10.238  -3.955  -3.467
  198    HD1  HIS  29          1HD       HIS  29  12.551  -3.235  -2.737
  199    HD2  HIS  29          2HD       HIS  29  10.923  -6.144  -0.257
  200    HE1  HIS  29          1HE       HIS  29  14.302  -3.730  -1.012
  201    H    LEU  30           HN       LEU  30   6.981  -2.496  -1.132
  202    HA   LEU  30           HA       LEU  30   8.712  -0.149  -1.006
  203    HB2  LEU  30          2HB       LEU  30   5.700  -0.350  -0.850
  204    HB3  LEU  30          1HB       LEU  30   6.620   1.139  -0.881
  205    HG   LEU  30           HG       LEU  30   6.336  -0.859  -3.116
  206   HD11  LEU  30          1HD1      LEU  30   4.391   0.533  -2.823
  207   HD12  LEU  30          2HD1      LEU  30   5.251   0.985  -4.295
  208   HD13  LEU  30          3HD1      LEU  30   5.392   1.984  -2.849
  209   HD21  LEU  30          1HD2      LEU  30   7.996   1.670  -3.023
  210   HD22  LEU  30          2HD2      LEU  30   7.665   0.714  -4.465
  211   HD23  LEU  30          3HD2      LEU  30   8.598   0.017  -3.146
  212    H    ARG  31           HN       ARG  31   7.533   1.381   0.872
  213    HA   ARG  31           HA       ARG  31   8.571   0.197   3.224
  214    HB2  ARG  31          2HB       ARG  31   8.844   2.573   2.889
  215    HB3  ARG  31          1HB       ARG  31   7.101   2.803   2.810
  216    HG2  ARG  31          2HG       ARG  31   6.893   2.134   5.139
  217    HG3  ARG  31          1HG       ARG  31   8.629   1.856   5.217
  218    HD2  ARG  31          2HD       ARG  31   9.026   4.232   4.776
  219    HD3  ARG  31          1HD       ARG  31   7.286   4.501   4.670
  220    HE   ARG  31           HE       ARG  31   7.514   3.386   7.069
  221   HH11  ARG  31          1HH1      ARG  31   9.494   5.985   5.691
  222   HH12  ARG  31          2HH1      ARG  31   9.612   6.845   7.160
  223   HH21  ARG  31          1HH2      ARG  31   7.723   4.524   9.052
  224   HH22  ARG  31          2HH2      ARG  31   8.583   5.995   9.125
  225    H    SER  32           HN       SER  32   5.258   1.241   2.366
  226    HA   SER  32           HA       SER  32   4.123  -0.886   3.955
  227    HB2  SER  32          2HB       SER  32   3.656   2.010   4.774
  228    HB3  SER  32          1HB       SER  32   2.879   0.594   5.475
  229    HG   SER  32           HG       SER  32   5.462   0.178   5.578
  230    H    GLY  33           HN       GLY  33   1.690  -0.764   3.789
  231    HA2  GLY  33          2HA       GLY  33   0.783   0.809   1.478
  232    HA3  GLY  33          1HA       GLY  33   0.298  -0.872   1.724
  233    H    ARG  34           HN       ARG  34  -0.842   2.157   2.076
  234    HA   ARG  34           HA       ARG  34  -2.330   1.381   4.450
  235    HB2  ARG  34          2HB       ARG  34  -2.451   3.818   5.039
  236    HB3  ARG  34          1HB       ARG  34  -0.880   3.057   5.235
  237    HG2  ARG  34          2HG       ARG  34  -0.174   4.026   3.104
  238    HG3  ARG  34          1HG       ARG  34  -1.734   4.841   2.963
  239    HD2  ARG  34          2HD       ARG  34   0.010   6.324   3.841
  240    HD3  ARG  34          1HD       ARG  34  -1.289   6.077   5.008
  241    HE   ARG  34           HE       ARG  34   0.262   4.330   5.983
  242   HH11  ARG  34          1HH1      ARG  34   1.561   7.170   4.307
  243   HH12  ARG  34          2HH1      ARG  34   2.938   7.263   5.312
  244   HH21  ARG  34          1HH2      ARG  34   2.131   4.439   7.248
  245   HH22  ARG  34          2HH2      ARG  34   3.310   5.649   6.982
  246    H    CYS  35           HN       CYS  35  -4.413   1.963   4.590
  247    HA   CYS  35           HA       CYS  35  -5.660   2.463   1.992
  248    HB2  CYS  35          2HB       CYS  35  -6.839   1.147   4.435
  249    HB3  CYS  35          1HB       CYS  35  -7.482   1.136   2.791
  250    H    ARG  36           HN       ARG  36  -6.884   4.168   1.787
  251    HA   ARG  36           HA       ARG  36  -7.369   5.796   4.170
  252    HB2  ARG  36          2HB       ARG  36  -7.211   6.505   1.257
  253    HB3  ARG  36          1HB       ARG  36  -7.829   7.628   2.467
  254    HG2  ARG  36          2HG       ARG  36  -5.045   6.450   2.357
  255    HG3  ARG  36          1HG       ARG  36  -5.499   8.109   1.954
  256    HD2  ARG  36          2HD       ARG  36  -5.666   6.785   4.672
  257    HD3  ARG  36          1HD       ARG  36  -4.569   8.070   4.183
  258    HE   ARG  36           HE       ARG  36  -6.691   9.373   3.756
  259   HH11  ARG  36          1HH1      ARG  36  -6.316   7.062   6.428
  260   HH12  ARG  36          2HH1      ARG  36  -7.546   7.760   7.374
  261   HH21  ARG  36          1HH2      ARG  36  -8.363  10.309   5.063
  262   HH22  ARG  36          2HH2      ARG  36  -8.748   9.660   6.587
  263    H    ASP  37           HN       ASP  37  -9.461   7.219   3.832
  264    HA   ASP  37           HA       ASP  37 -11.589   5.374   4.064
  265    HB2  ASP  37          2HB       ASP  37 -13.006   7.213   4.560
  266    HB3  ASP  37          1HB       ASP  37 -11.432   7.623   5.225
  267    H    ASP  38           HN       ASP  38 -10.224   6.828   1.460
  268    HA   ASP  38           HA       ASP  38 -12.354   7.047  -0.434
  269    HB2  ASP  38          2HB       ASP  38 -10.089   8.156  -0.542
  270    HB3  ASP  38          1HB       ASP  38  -9.407   6.579  -0.897
  271    H    PHE  39           HN       PHE  39 -10.782   4.432   1.030
  272    HA   PHE  39           HA       PHE  39 -10.846   2.215   0.895
  273    HB2  PHE  39          2HB       PHE  39 -12.652   2.602  -1.507
  274    HB3  PHE  39          1HB       PHE  39 -12.198   1.028  -0.876
  275    HD1  PHE  39          1HD       PHE  39 -13.154   0.193   1.173
  276    HD2  PHE  39          2HD       PHE  39 -14.187   4.048  -0.301
  277    HE1  PHE  39          1HE       PHE  39 -15.084   0.259   2.694
  278    HE2  PHE  39          2HE       PHE  39 -16.114   4.120   1.219
  279    HZ   PHE  39           HZ       PHE  39 -16.567   2.229   2.717
  280    H    ARG  40           HN       ARG  40  -9.300   4.144  -0.935
  281    HA   ARG  40           HA       ARG  40  -8.192   2.190  -2.786
  282    HB2  ARG  40          2HB       ARG  40  -8.601   4.971  -2.892
  283    HB3  ARG  40          1HB       ARG  40  -6.863   4.718  -2.882
  284    HG2  ARG  40          2HG       ARG  40  -7.636   4.811  -5.149
  285    HG3  ARG  40          1HG       ARG  40  -7.116   3.165  -4.783
  286    HD2  ARG  40          2HD       ARG  40  -9.209   3.178  -6.052
  287    HD3  ARG  40          1HD       ARG  40  -9.447   2.510  -4.436
  288    HE   ARG  40           HE       ARG  40 -10.009   5.194  -4.209
  289   HH11  ARG  40          1HH1      ARG  40 -11.342   2.479  -6.029
  290   HH12  ARG  40          2HH1      ARG  40 -12.903   3.150  -6.102
  291   HH21  ARG  40          1HH2      ARG  40 -12.051   6.080  -4.306
  292   HH22  ARG  40          2HH2      ARG  40 -13.325   5.297  -5.106
  293    H    CYS  41           HN       CYS  41  -6.021   1.754  -2.884
  294    HA   CYS  41           HA       CYS  41  -4.656   1.849  -0.344
  295    HB2  CYS  41          2HB       CYS  41  -4.502   0.164  -2.759
  296    HB3  CYS  41          1HB       CYS  41  -3.040   0.340  -1.801
  297    H    TRP  42           HN       TRP  42  -3.323   3.379   0.055
  298    HA   TRP  42           HA       TRP  42  -1.717   4.520  -2.096
  299    HB2  TRP  42          2HB       TRP  42  -2.808   5.590   0.456
  300    HB3  TRP  42          1HB       TRP  42  -1.175   6.085   0.057
  301    HD1  TRP  42          1HD       TRP  42  -0.869   7.692  -2.064
  302    HE1  TRP  42          1HE       TRP  42  -2.475   9.251  -3.276
  303    HE3  TRP  42          3HE       TRP  42  -5.284   5.810  -0.306
  304    HZ2  TRP  42          2HZ       TRP  42  -5.274   9.668  -3.458
  305    HZ3  TRP  42          3HZ       TRP  42  -7.382   6.864  -1.044
  306    HH2  TRP  42          2HH       TRP  42  -7.372   8.747  -2.588
  307    H    CYS  43           HN       CYS  43   0.215   3.689  -2.197
  308    HA   CYS  43           HA       CYS  43   1.214   2.373   0.184
  309    HB2  CYS  43          2HB       CYS  43   1.959   1.942  -2.705
  310    HB3  CYS  43          1HB       CYS  43   2.637   1.063  -1.329
  311    H    THR  44           HN       THR  44   2.877   3.016   1.170
  312    HA   THR  44           HA       THR  44   4.066   5.522   0.350
  313    HB   THR  44           HB       THR  44   4.354   4.073   2.970
  314    HG1  THR  44          1HG       THR  44   2.331   6.024   2.557
  315   HG21  THR  44          1HG2      THR  44   4.589   6.373   3.829
  316   HG22  THR  44          2HG2      THR  44   4.374   7.001   2.195
  317   HG23  THR  44          3HG2      THR  44   5.795   6.030   2.588
  318    H    LYS  45           HN       LYS  45   6.155   5.638  -0.159
  319    HA   LYS  45           HA       LYS  45   7.944   3.419   0.460
  320    HB2  LYS  45          2HB       LYS  45   8.969   3.638  -1.776
  321    HB3  LYS  45          1HB       LYS  45   7.281   3.153  -1.864
  322    HG2  LYS  45          2HG       LYS  45   6.658   5.465  -2.412
  323    HG3  LYS  45          1HG       LYS  45   8.363   5.911  -2.349
  324    HD2  LYS  45          2HD       LYS  45   7.179   3.876  -4.242
  325    HD3  LYS  45          1HD       LYS  45   7.531   5.550  -4.661
  326    HE2  LYS  45          2HE       LYS  45   9.922   5.131  -4.106
  327    HE3  LYS  45          1HE       LYS  45   9.518   3.440  -3.813
  328    HZ1  LYS  45          1HZ       LYS  45   9.173   4.874  -6.377
  329    HZ2  LYS  45          2HZ       LYS  45   8.779   3.271  -6.117
  330    HZ3  LYS  45          3HZ       LYS  45  10.393   3.760  -6.047
  331    H    ASN  46           HN       ASN  46  10.186   4.114   0.524
  332    HA   ASN  46           HA       ASN  46  10.294   6.842   1.538
  333    HB2  ASN  46          2HB       ASN  46  12.406   4.674   1.686
  334    HB3  ASN  46          1HB       ASN  46  12.559   6.270   2.401
  335   HD21  ASN  46          1HD2      ASN  46  11.395   3.078   2.807
  336   HD22  ASN  46          2HD2      ASN  46  10.701   3.301   4.362
  337    H    CYS  47           HN       CYS  47  11.525   8.455   0.719
  338    HA   CYS  47           HA       CYS  47  13.014   7.941  -1.728
  339    HB2  CYS  47          2HB       CYS  47  10.978  10.145  -1.322
  340    HB3  CYS  47          1HB       CYS  47  11.987   9.912  -2.743
  Start of MODEL   11
    1    H1   LYS   1          1HT       LYS   1  13.451  11.319   1.729
    2    H2   LYS   1          2HT       LYS   1  12.782  10.354   0.495
    3    H3   LYS   1          3HT       LYS   1  13.149   9.671   1.983
    4    HA   LYS   1           HA       LYS   1  11.437  10.979   3.051
    5    HB2  LYS   1          2HB       LYS   1  11.588  12.854   1.375
    6    HB3  LYS   1          1HB       LYS   1  10.856  11.803   0.177
    7    HG2  LYS   1          2HG       LYS   1   8.841  11.679   1.710
    8    HG3  LYS   1          1HG       LYS   1   9.586  12.970   2.649
    9    HD2  LYS   1          2HD       LYS   1   8.831  13.098  -0.278
   10    HD3  LYS   1          1HD       LYS   1   7.959  13.860   1.047
   11    HE2  LYS   1          2HE       LYS   1   9.874  15.286   1.514
   12    HE3  LYS   1          1HE       LYS   1  10.809  14.471   0.261
   13    HZ1  LYS   1          1HZ       LYS   1   9.189  15.263  -1.371
   14    HZ2  LYS   1          2HZ       LYS   1   9.954  16.525  -0.592
   15    HZ3  LYS   1          3HZ       LYS   1   8.376  16.131  -0.180
   16    H    THR   2           HN       THR   2   9.123  10.069   2.880
   17    HA   THR   2           HA       THR   2   9.053   8.024   0.867
   18    HB   THR   2           HB       THR   2   7.322   6.871   2.381
   19    HG1  THR   2          1HG       THR   2   7.440   8.751   3.942
   20   HG21  THR   2          1HG2      THR   2  10.248   6.884   3.090
   21   HG22  THR   2          2HG2      THR   2   9.449   5.889   1.867
   22   HG23  THR   2          3HG2      THR   2   9.099   5.638   3.573
   23    H    CYS   3           HN       CYS   3   7.608   8.080  -0.535
   24    HA   CYS   3           HA       CYS   3   5.617  10.222  -0.407
   25    HB2  CYS   3          2HB       CYS   3   6.976   8.912  -2.783
   26    HB3  CYS   3          1HB       CYS   3   5.722  10.137  -2.905
   27    H    GLU   4           HN       GLU   4   3.561   9.583  -0.346
   28    HA   GLU   4           HA       GLU   4   2.993   6.747  -0.710
   29    HB2  GLU   4          2HB       GLU   4   2.392   7.893   1.422
   30    HB3  GLU   4          1HB       GLU   4   1.313   8.930   0.496
   31    HG2  GLU   4          2HG       GLU   4   0.020   7.059  -0.170
   32    HG3  GLU   4          1HG       GLU   4   1.086   5.948   0.695
   33    H    ASN   5           HN       ASN   5   2.086   6.074  -2.487
   34    HA   ASN   5           HA       ASN   5   0.398   7.912  -4.022
   35    HB2  ASN   5          2HB       ASN   5   2.624   6.215  -5.168
   36    HB3  ASN   5          1HB       ASN   5   1.390   6.999  -6.131
   37   HD21  ASN   5          1HD2      ASN   5   1.452   9.459  -4.432
   38   HD22  ASN   5          2HD2      ASN   5   2.893  10.260  -4.908
   39    H    LEU   6           HN       LEU   6  -0.884   6.720  -5.632
   40    HA   LEU   6           HA       LEU   6  -2.249   4.637  -4.416
   41    HB2  LEU   6          2HB       LEU   6  -2.365   5.860  -7.107
   42    HB3  LEU   6          1HB       LEU   6  -3.236   4.369  -6.810
   43    HG   LEU   6           HG       LEU   6  -3.614   6.902  -5.202
   44   HD11  LEU   6          1HD1      LEU   6  -4.416   7.138  -7.533
   45   HD12  LEU   6          2HD1      LEU   6  -5.706   7.062  -6.311
   46   HD13  LEU   6          3HD1      LEU   6  -5.354   5.643  -7.294
   47   HD21  LEU   6          1HD2      LEU   6  -4.120   4.906  -3.952
   48   HD22  LEU   6          2HD2      LEU   6  -5.068   4.291  -5.300
   49   HD23  LEU   6          3HD2      LEU   6  -5.606   5.724  -4.428
   50    H    ALA   7           HN       ALA   7  -2.414   2.591  -4.631
   51    HA   ALA   7           HA       ALA   7  -0.190   1.105  -5.644
   52    HB1  ALA   7          1HB       ALA   7  -1.434  -0.826  -4.759
   53    HB2  ALA   7          2HB       ALA   7  -2.802   0.232  -4.420
   54    HB3  ALA   7          3HB       ALA   7  -1.277   0.464  -3.567
   55    H    ASP   8           HN       ASP   8  -0.058   0.419  -7.641
   56    HA   ASP   8           HA       ASP   8  -2.443   0.339  -9.324
   57    HB2  ASP   8          2HB       ASP   8  -0.539   1.540 -10.239
   58    HB3  ASP   8          1HB       ASP   8   0.491   0.134 -10.010
   59    H    THR   9           HN       THR   9   0.152  -1.717  -8.096
   60    HA   THR   9           HA       THR   9  -0.598  -3.974  -9.575
   61    HB   THR   9           HB       THR   9   1.061  -3.881  -7.066
   62    HG1  THR   9          1HG       THR   9   2.710  -3.132  -8.270
   63   HG21  THR   9          1HG2      THR   9   2.292  -5.652  -8.203
   64   HG22  THR   9          2HG2      THR   9   1.235  -5.479  -9.609
   65   HG23  THR   9          3HG2      THR   9   0.579  -6.075  -8.078
   66    H    TYR  10           HN       TYR  10  -1.471  -2.691  -6.397
   67    HA   TYR  10           HA       TYR  10  -2.624  -5.126  -5.435
   68    HB2  TYR  10          2HB       TYR  10  -1.856  -3.292  -3.906
   69    HB3  TYR  10          1HB       TYR  10  -3.176  -2.293  -4.497
   70    HD1  TYR  10          1HD       TYR  10  -2.303  -5.230  -2.479
   71    HD2  TYR  10          2HD       TYR  10  -5.472  -2.687  -3.740
   72    HE1  TYR  10          1HE       TYR  10  -3.751  -6.193  -0.759
   73    HE2  TYR  10          2HE       TYR  10  -6.924  -3.633  -2.025
   74    HH   TYR  10           HH       TYR  10  -7.057  -5.806  -0.769
   75    H    LYS  11           HN       LYS  11  -4.581  -5.927  -5.852
   76    HA   LYS  11           HA       LYS  11  -6.357  -4.248  -7.459
   77    HB2  LYS  11          2HB       LYS  11  -6.252  -7.260  -7.332
   78    HB3  LYS  11          1HB       LYS  11  -7.239  -6.293  -8.418
   79    HG2  LYS  11          2HG       LYS  11  -4.228  -6.456  -8.413
   80    HG3  LYS  11          1HG       LYS  11  -5.314  -7.189  -9.593
   81    HD2  LYS  11          2HD       LYS  11  -6.057  -4.987 -10.304
   82    HD3  LYS  11          1HD       LYS  11  -5.052  -4.228  -9.065
   83    HE2  LYS  11          2HE       LYS  11  -3.064  -5.131 -10.135
   84    HE3  LYS  11          1HE       LYS  11  -4.074  -5.893 -11.363
   85    HZ1  LYS  11          1HZ       LYS  11  -4.828  -3.671 -12.024
   86    HZ2  LYS  11          2HZ       LYS  11  -3.151  -3.791 -12.162
   87    HZ3  LYS  11          3HZ       LYS  11  -3.835  -2.974 -10.861
   88    H    GLY  12           HN       GLY  12  -8.518  -4.186  -7.020
   89    HA2  GLY  12          2HA       GLY  12 -10.456  -4.538  -5.836
   90    HA3  GLY  12          1HA       GLY  12  -9.581  -5.590  -4.733
   91    HA   PRO  13           HA       PRO  13  -9.972  -1.243  -2.856
   92    HB2  PRO  13          2HB       PRO  13 -12.269  -2.206  -1.311
   93    HB3  PRO  13          1HB       PRO  13 -12.128  -0.747  -2.285
   94    HG2  PRO  13          2HG       PRO  13 -13.683  -2.819  -3.046
   95    HG3  PRO  13          1HG       PRO  13 -12.841  -1.785  -4.215
   96    HD2  PRO  13          2HD       PRO  13 -12.102  -4.501  -3.197
   97    HD3  PRO  13          1HD       PRO  13 -12.054  -3.858  -4.855
   98    H    CYS  14           HN       CYS  14  -9.676  -0.851  -0.551
   99    HA   CYS  14           HA       CYS  14  -8.350  -3.090   0.692
  100    HB2  CYS  14          2HB       CYS  14  -7.147  -1.003   0.710
  101    HB3  CYS  14          1HB       CYS  14  -8.520  -0.166   1.427
  102    H    PHE  15           HN       PHE  15  -9.814  -4.424   1.520
  103    HA   PHE  15           HA       PHE  15 -11.958  -3.438   3.219
  104    HB2  PHE  15          2HB       PHE  15 -11.128  -6.287   2.581
  105    HB3  PHE  15          1HB       PHE  15 -12.604  -5.803   3.405
  106    HD1  PHE  15          1HD       PHE  15 -11.091  -6.534   0.282
  107    HD2  PHE  15          2HD       PHE  15 -14.223  -4.306   2.095
  108    HE1  PHE  15          1HE       PHE  15 -12.221  -6.376  -1.878
  109    HE2  PHE  15          2HE       PHE  15 -15.362  -4.143  -0.062
  110    HZ   PHE  15           HZ       PHE  15 -14.367  -5.179  -2.063
  111    H    THR  16           HN       THR  16  -8.877  -4.952   3.292
  112    HA   THR  16           HA       THR  16  -8.733  -4.764   6.204
  113    HB   THR  16           HB       THR  16  -7.575  -6.933   4.442
  114    HG1  THR  16          1HG       THR  16  -9.970  -6.769   5.930
  115   HG21  THR  16          1HG2      THR  16  -6.335  -6.549   6.526
  116   HG22  THR  16          2HG2      THR  16  -7.153  -8.111   6.548
  117   HG23  THR  16          3HG2      THR  16  -7.828  -6.755   7.449
  118    H    THR  17           HN       THR  17  -7.088  -3.334   6.619
  119    HA   THR  17           HA       THR  17  -5.433  -2.438   4.518
  120    HB   THR  17           HB       THR  17  -6.103  -0.876   6.340
  121    HG1  THR  17          1HG       THR  17  -3.830  -0.951   5.160
  122   HG21  THR  17          1HG2      THR  17  -5.953  -2.322   8.277
  123   HG22  THR  17          2HG2      THR  17  -4.879  -0.941   8.500
  124   HG23  THR  17          3HG2      THR  17  -4.217  -2.510   8.040
  125    H    GLY  18           HN       GLY  18  -5.115  -4.879   6.904
  126    HA2  GLY  18          2HA       GLY  18  -2.360  -5.295   6.910
  127    HA3  GLY  18          1HA       GLY  18  -3.563  -6.559   7.137
  128    H    SER  19           HN       SER  19  -4.828  -6.622   4.677
  129    HA   SER  19           HA       SER  19  -3.130  -8.162   3.093
  130    HB2  SER  19          2HB       SER  19  -5.635  -6.709   2.237
  131    HB3  SER  19          1HB       SER  19  -4.984  -8.207   1.569
  132    HG   SER  19           HG       SER  19  -6.388  -8.998   2.921
  133    H    CYS  20           HN       CYS  20  -3.989  -4.787   3.046
  134    HA   CYS  20           HA       CYS  20  -2.908  -4.160   0.484
  135    HB2  CYS  20          2HB       CYS  20  -4.746  -2.896   1.539
  136    HB3  CYS  20          1HB       CYS  20  -3.651  -2.388   2.816
  137    H    ASP  21           HN       ASP  21  -1.867  -3.636   3.838
  138    HA   ASP  21           HA       ASP  21   0.560  -2.344   3.253
  139    HB2  ASP  21          2HB       ASP  21  -0.519  -2.148   5.403
  140    HB3  ASP  21          1HB       ASP  21  -0.347  -3.868   5.697
  141    H    ASP  22           HN       ASP  22  -0.263  -5.691   3.813
  142    HA   ASP  22           HA       ASP  22   2.280  -6.847   3.777
  143    HB2  ASP  22          2HB       ASP  22   0.315  -8.133   4.374
  144    HB3  ASP  22          1HB       ASP  22  -0.354  -7.877   2.769
  145    H    HIS  23           HN       HIS  23   0.095  -6.026   1.154
  146    HA   HIS  23           HA       HIS  23   1.665  -7.118  -0.914
  147    HB2  HIS  23          2HB       HIS  23  -0.710  -6.696  -1.270
  148    HB3  HIS  23          1HB       HIS  23  -0.472  -4.978  -0.990
  149    HD1  HIS  23          1HD       HIS  23   0.049  -7.638  -3.620
  150    HD2  HIS  23          2HD       HIS  23   0.519  -3.548  -3.105
  151    HE1  HIS  23          1HE       HIS  23   0.545  -6.715  -5.894
  152    H    CYS  24           HN       CYS  24   1.237  -3.744   0.166
  153    HA   CYS  24           HA       CYS  24   3.099  -2.711  -1.632
  154    HB2  CYS  24          2HB       CYS  24   2.376  -1.533   1.063
  155    HB3  CYS  24          1HB       CYS  24   3.112  -0.671  -0.280
  156    H    LYS  25           HN       LYS  25   3.610  -3.987   1.667
  157    HA   LYS  25           HA       LYS  25   6.362  -3.253   1.758
  158    HB2  LYS  25          2HB       LYS  25   4.847  -5.337   3.302
  159    HB3  LYS  25          1HB       LYS  25   6.552  -5.018   3.535
  160    HG2  LYS  25          2HG       LYS  25   5.934  -2.691   4.168
  161    HG3  LYS  25          1HG       LYS  25   4.237  -3.198   4.101
  162    HD2  LYS  25          2HD       LYS  25   4.720  -4.991   5.710
  163    HD3  LYS  25          1HD       LYS  25   6.389  -4.448   5.805
  164    HE2  LYS  25          2HE       LYS  25   3.969  -2.840   6.563
  165    HE3  LYS  25          1HE       LYS  25   5.027  -3.678   7.689
  166    HZ1  LYS  25          1HZ       LYS  25   5.515  -1.335   7.546
  167    HZ2  LYS  25          2HZ       LYS  25   5.860  -1.435   5.906
  168    HZ3  LYS  25          3HZ       LYS  25   6.834  -2.234   7.042
  169    H    ASN  26           HN       ASN  26   4.839  -6.449   1.218
  170    HA   ASN  26           HA       ASN  26   7.477  -7.567   0.814
  171    HB2  ASN  26          2HB       ASN  26   4.786  -8.935   0.701
  172    HB3  ASN  26          1HB       ASN  26   6.341  -9.749   0.605
  173   HD21  ASN  26          1HD2      ASN  26   4.006  -8.272   2.653
  174   HD22  ASN  26          2HD2      ASN  26   4.761  -8.661   4.149
  175    H    LYS  27           HN       LYS  27   4.625  -7.038  -1.166
  176    HA   LYS  27           HA       LYS  27   5.770  -8.453  -3.366
  177    HB2  LYS  27          2HB       LYS  27   3.345  -6.676  -3.199
  178    HB3  LYS  27          1HB       LYS  27   3.798  -7.615  -4.609
  179    HG2  LYS  27          2HG       LYS  27   3.141  -8.761  -1.905
  180    HG3  LYS  27          1HG       LYS  27   2.031  -8.672  -3.274
  181    HD2  LYS  27          2HD       LYS  27   3.567 -10.059  -4.587
  182    HD3  LYS  27          1HD       LYS  27   4.652 -10.167  -3.202
  183    HE2  LYS  27          2HE       LYS  27   2.913 -11.270  -1.919
  184    HE3  LYS  27          1HE       LYS  27   1.807 -11.152  -3.290
  185    HZ1  LYS  27          1HZ       LYS  27   3.376 -12.502  -4.564
  186    HZ2  LYS  27          2HZ       LYS  27   2.774 -13.314  -3.219
  187    HZ3  LYS  27          3HZ       LYS  27   4.339 -12.690  -3.188
  188    H    GLU  28           HN       GLU  28   5.099  -5.073  -2.667
  189    HA   GLU  28           HA       GLU  28   6.495  -4.369  -5.114
  190    HB2  GLU  28          2HB       GLU  28   4.923  -2.634  -3.228
  191    HB3  GLU  28          1HB       GLU  28   5.568  -2.137  -4.789
  192    HG2  GLU  28          2HG       GLU  28   3.471  -4.252  -4.317
  193    HG3  GLU  28          1HG       GLU  28   3.194  -2.621  -4.922
  194    H    HIS  29           HN       HIS  29   7.313  -4.769  -1.925
  195    HA   HIS  29           HA       HIS  29   9.100  -4.315  -0.663
  196    HB2  HIS  29          2HB       HIS  29  10.327  -3.475  -3.297
  197    HB3  HIS  29          1HB       HIS  29  11.236  -3.554  -1.793
  198    HD1  HIS  29          1HD       HIS  29  11.940  -5.905  -0.965
  199    HD2  HIS  29          2HD       HIS  29   9.561  -5.932  -4.379
  200    HE1  HIS  29          1HE       HIS  29  12.049  -8.249  -1.872
  201    H    LEU  30           HN       LEU  30   7.097  -2.349  -0.906
  202    HA   LEU  30           HA       LEU  30   8.535   0.181  -0.732
  203    HB2  LEU  30          2HB       LEU  30   5.557  -0.318  -0.627
  204    HB3  LEU  30          1HB       LEU  30   6.356   1.220  -0.883
  205    HG   LEU  30           HG       LEU  30   6.301  -1.111  -2.790
  206   HD11  LEU  30          1HD1      LEU  30   4.211  -0.027  -2.776
  207   HD12  LEU  30          2HD1      LEU  30   5.052   0.421  -4.261
  208   HD13  LEU  30          3HD1      LEU  30   4.947   1.562  -2.922
  209   HD21  LEU  30          1HD2      LEU  30   8.430  -0.006  -3.007
  210   HD22  LEU  30          2HD2      LEU  30   7.653   1.567  -3.113
  211   HD23  LEU  30          3HD2      LEU  30   7.428   0.386  -4.403
  212    H    ARG  31           HN       ARG  31   7.056   1.580   1.111
  213    HA   ARG  31           HA       ARG  31   8.131   0.405   3.497
  214    HB2  ARG  31          2HB       ARG  31   8.513   2.754   3.165
  215    HB3  ARG  31          1HB       ARG  31   6.793   3.061   2.998
  216    HG2  ARG  31          2HG       ARG  31   6.448   2.441   5.333
  217    HG3  ARG  31          1HG       ARG  31   8.171   2.117   5.503
  218    HD2  ARG  31          2HD       ARG  31   8.691   4.414   5.061
  219    HD3  ARG  31          1HD       ARG  31   6.988   4.790   4.758
  220    HE   ARG  31           HE       ARG  31   7.178   3.659   7.262
  221   HH11  ARG  31          1HH1      ARG  31   8.246   6.692   5.675
  222   HH12  ARG  31          2HH1      ARG  31   8.335   7.521   7.145
  223   HH21  ARG  31          1HH2      ARG  31   7.279   4.876   9.217
  224   HH22  ARG  31          2HH2      ARG  31   7.750   6.514   9.165
  225    H    SER  32           HN       SER  32   4.861   1.622   2.646
  226    HA   SER  32           HA       SER  32   3.762  -0.463   4.313
  227    HB2  SER  32          2HB       SER  32   2.417   1.221   5.639
  228    HB3  SER  32          1HB       SER  32   4.143   1.191   5.996
  229    HG   SER  32           HG       SER  32   2.996   3.068   4.163
  230    H    GLY  33           HN       GLY  33   1.475  -0.646   4.085
  231    HA2  GLY  33          2HA       GLY  33   0.463   0.727   1.682
  232    HA3  GLY  33          1HA       GLY  33  -0.056  -0.891   2.118
  233    H    ARG  34           HN       ARG  34  -0.744   2.350   2.323
  234    HA   ARG  34           HA       ARG  34  -2.267   1.938   4.764
  235    HB2  ARG  34          2HB       ARG  34  -1.216   4.527   3.603
  236    HB3  ARG  34          1HB       ARG  34  -2.121   4.365   5.105
  237    HG2  ARG  34          2HG       ARG  34  -0.306   2.987   6.046
  238    HG3  ARG  34          1HG       ARG  34   0.602   3.176   4.548
  239    HD2  ARG  34          2HD       ARG  34   0.614   5.619   4.921
  240    HD3  ARG  34          1HD       ARG  34  -0.219   5.357   6.450
  241    HE   ARG  34           HE       ARG  34   2.342   4.019   6.035
  242   HH11  ARG  34          1HH1      ARG  34   0.523   6.596   7.665
  243   HH12  ARG  34          2HH1      ARG  34   1.725   6.946   8.798
  244   HH21  ARG  34          1HH2      ARG  34   4.054   4.532   7.617
  245   HH22  ARG  34          2HH2      ARG  34   3.776   5.766   8.759
  246    H    CYS  35           HN       CYS  35  -4.358   2.212   4.728
  247    HA   CYS  35           HA       CYS  35  -5.571   2.614   2.112
  248    HB2  CYS  35          2HB       CYS  35  -6.751   1.507   4.669
  249    HB3  CYS  35          1HB       CYS  35  -7.501   1.490   3.071
  250    H    ARG  36           HN       ARG  36  -6.824   4.254   1.690
  251    HA   ARG  36           HA       ARG  36  -7.072   6.248   3.816
  252    HB2  ARG  36          2HB       ARG  36  -6.919   6.602   0.834
  253    HB3  ARG  36          1HB       ARG  36  -7.143   7.925   1.983
  254    HG2  ARG  36          2HG       ARG  36  -4.750   6.089   1.834
  255    HG3  ARG  36          1HG       ARG  36  -4.817   7.741   1.219
  256    HD2  ARG  36          2HD       ARG  36  -5.133   8.603   3.432
  257    HD3  ARG  36          1HD       ARG  36  -5.281   6.983   4.103
  258    HE   ARG  36           HE       ARG  36  -2.778   7.404   2.777
  259   HH11  ARG  36          1HH1      ARG  36  -4.483   8.156   5.803
  260   HH12  ARG  36          2HH1      ARG  36  -3.056   8.033   6.739
  261   HH21  ARG  36          1HH2      ARG  36  -0.899   7.283   4.083
  262   HH22  ARG  36          2HH2      ARG  36  -1.026   7.592   5.767
  263    H    ASP  37           HN       ASP  37  -8.874   7.913   3.019
  264    HA   ASP  37           HA       ASP  37 -11.260   6.853   3.871
  265    HB2  ASP  37          2HB       ASP  37 -10.791   9.194   4.029
  266    HB3  ASP  37          1HB       ASP  37 -10.727   9.349   2.278
  267    H    ASP  38           HN       ASP  38 -10.188   7.292   0.557
  268    HA   ASP  38           HA       ASP  38 -12.755   6.580  -0.536
  269    HB2  ASP  38          2HB       ASP  38 -11.188   8.153  -1.674
  270    HB3  ASP  38          1HB       ASP  38 -10.090   6.814  -1.961
  271    H    PHE  39           HN       PHE  39 -10.749   4.728   1.066
  272    HA   PHE  39           HA       PHE  39 -10.438   2.546   1.385
  273    HB2  PHE  39          2HB       PHE  39 -12.764   2.280  -0.511
  274    HB3  PHE  39          1HB       PHE  39 -12.021   0.899   0.289
  275    HD1  PHE  39          1HD       PHE  39 -12.049   0.764   2.752
  276    HD2  PHE  39          2HD       PHE  39 -14.269   3.694   0.633
  277    HE1  PHE  39          1HE       PHE  39 -13.428   1.153   4.750
  278    HE2  PHE  39          2HE       PHE  39 -15.653   4.090   2.615
  279    HZ   PHE  39           HZ       PHE  39 -15.241   2.821   4.684
  280    H    ARG  40           HN       ARG  40  -9.415   3.922  -1.188
  281    HA   ARG  40           HA       ARG  40  -8.493   1.535  -2.531
  282    HB2  ARG  40          2HB       ARG  40  -9.224   3.539  -3.839
  283    HB3  ARG  40          1HB       ARG  40  -7.892   4.446  -3.141
  284    HG2  ARG  40          2HG       ARG  40  -7.328   3.756  -5.370
  285    HG3  ARG  40          1HG       ARG  40  -6.319   2.899  -4.208
  286    HD2  ARG  40          2HD       ARG  40  -7.882   0.957  -4.400
  287    HD3  ARG  40          1HD       ARG  40  -8.705   1.828  -5.700
  288    HE   ARG  40           HE       ARG  40  -6.109   1.869  -6.410
  289   HH11  ARG  40          1HH1      ARG  40  -8.457  -0.703  -5.797
  290   HH12  ARG  40          2HH1      ARG  40  -7.612  -1.864  -6.702
  291   HH21  ARG  40          1HH2      ARG  40  -4.937   0.256  -7.586
  292   HH22  ARG  40          2HH2      ARG  40  -5.541  -1.329  -7.715
  293    H    CYS  41           HN       CYS  41  -6.093   1.326  -2.911
  294    HA   CYS  41           HA       CYS  41  -4.795   1.698  -0.367
  295    HB2  CYS  41          2HB       CYS  41  -4.368  -0.136  -2.658
  296    HB3  CYS  41          1HB       CYS  41  -3.047   0.182  -1.539
  297    H    TRP  42           HN       TRP  42  -3.262   2.993   0.030
  298    HA   TRP  42           HA       TRP  42  -1.818   4.241  -2.163
  299    HB2  TRP  42          2HB       TRP  42  -3.033   5.240   0.321
  300    HB3  TRP  42          1HB       TRP  42  -1.411   5.819   0.025
  301    HD1  TRP  42          1HD       TRP  42  -1.092   7.571  -1.938
  302    HE1  TRP  42          1HE       TRP  42  -2.737   9.048  -3.238
  303    HE3  TRP  42          3HE       TRP  42  -5.464   5.184  -0.767
  304    HZ2  TRP  42          2HZ       TRP  42  -5.517   9.196  -3.708
  305    HZ3  TRP  42          3HZ       TRP  42  -7.570   6.074  -1.681
  306    HH2  TRP  42          2HH       TRP  42  -7.587   8.033  -3.124
  307    H    CYS  43           HN       CYS  43   0.095   3.266  -2.282
  308    HA   CYS  43           HA       CYS  43   1.228   2.012   0.077
  309    HB2  CYS  43          2HB       CYS  43   2.261   2.079  -2.766
  310    HB3  CYS  43          1HB       CYS  43   2.971   1.174  -1.446
  311    H    THR  44           HN       THR  44   2.610   3.040   1.278
  312    HA   THR  44           HA       THR  44   3.722   5.591   0.578
  313    HB   THR  44           HB       THR  44   4.505   3.880   2.923
  314    HG1  THR  44          1HG       THR  44   2.047   5.397   2.792
  315   HG21  THR  44          1HG2      THR  44   3.936   6.841   2.612
  316   HG22  THR  44          2HG2      THR  44   5.533   6.096   2.628
  317   HG23  THR  44          3HG2      THR  44   4.528   6.051   4.076
  318    H    LYS  45           HN       LYS  45   5.476   5.542  -0.837
  319    HA   LYS  45           HA       LYS  45   7.322   3.301  -0.517
  320    HB2  LYS  45          2HB       LYS  45   7.866   3.568  -2.937
  321    HB3  LYS  45          1HB       LYS  45   6.248   2.981  -2.585
  322    HG2  LYS  45          2HG       LYS  45   5.420   5.292  -2.998
  323    HG3  LYS  45          1HG       LYS  45   7.053   5.719  -3.518
  324    HD2  LYS  45          2HD       LYS  45   6.959   3.957  -5.231
  325    HD3  LYS  45          1HD       LYS  45   5.328   3.551  -4.713
  326    HE2  LYS  45          2HE       LYS  45   5.200   4.925  -6.683
  327    HE3  LYS  45          1HE       LYS  45   4.612   5.839  -5.297
  328    HZ1  LYS  45          1HZ       LYS  45   7.277   6.076  -6.555
  329    HZ2  LYS  45          2HZ       LYS  45   6.817   6.921  -5.188
  330    HZ3  LYS  45          3HZ       LYS  45   6.017   7.193  -6.664
  331    H    ASN  46           HN       ASN  46   9.548   3.785  -1.465
  332    HA   ASN  46           HA       ASN  46  10.417   6.074   0.061
  333    HB2  ASN  46          2HB       ASN  46  12.037   3.946  -1.358
  334    HB3  ASN  46          1HB       ASN  46  12.715   5.244  -0.391
  335   HD21  ASN  46          1HD2      ASN  46  11.068   2.214  -0.357
  336   HD22  ASN  46          2HD2      ASN  46  11.206   1.898   1.328
  337    H    CYS  47           HN       CYS  47  11.124   7.908  -0.665
  338    HA   CYS  47           HA       CYS  47  11.916   8.119  -3.416
  339    HB2  CYS  47          2HB       CYS  47  10.900  10.503  -3.320
  340    HB3  CYS  47          1HB       CYS  47   9.783   9.173  -3.557
  Start of MODEL   12
    1    H1   LYS   1          1HT       LYS   1  13.640  11.384   1.025
    2    H2   LYS   1          2HT       LYS   1  12.897  10.508  -0.229
    3    H3   LYS   1          3HT       LYS   1  13.196   9.767   1.243
    4    HA   LYS   1           HA       LYS   1  11.609  11.231   2.331
    5    HB2  LYS   1          2HB       LYS   1  11.891  13.172   0.848
    6    HB3  LYS   1          1HB       LYS   1  11.281  12.258  -0.515
    7    HG2  LYS   1          2HG       LYS   1   9.618  13.851   0.297
    8    HG3  LYS   1          1HG       LYS   1   9.056  12.195   0.524
    9    HD2  LYS   1          2HD       LYS   1   9.701  12.285   2.857
   10    HD3  LYS   1          1HD       LYS   1  10.292  13.940   2.663
   11    HE2  LYS   1          2HE       LYS   1   8.027  14.675   2.122
   12    HE3  LYS   1          1HE       LYS   1   7.445  13.015   2.240
   13    HZ1  LYS   1          1HZ       LYS   1   6.965  14.224   4.256
   14    HZ2  LYS   1          2HZ       LYS   1   8.584  14.626   4.468
   15    HZ3  LYS   1          3HZ       LYS   1   8.092  13.025   4.594
   16    H    THR   2           HN       THR   2   9.587  10.174   2.626
   17    HA   THR   2           HA       THR   2   9.122   8.197   0.594
   18    HB   THR   2           HB       THR   2   7.468   7.309   2.413
   19    HG1  THR   2          1HG       THR   2   7.609   8.996   3.847
   20   HG21  THR   2          1HG2      THR   2   9.437   6.103   1.702
   21   HG22  THR   2          2HG2      THR   2   9.319   6.053   3.465
   22   HG23  THR   2          3HG2      THR   2  10.462   7.143   2.689
   23    H    CYS   3           HN       CYS   3   7.293   8.041  -0.503
   24    HA   CYS   3           HA       CYS   3   5.540  10.409  -0.367
   25    HB2  CYS   3          2HB       CYS   3   6.194   8.717  -2.782
   26    HB3  CYS   3          1HB       CYS   3   5.326  10.249  -2.758
   27    H    GLU   4           HN       GLU   4   3.368  10.002  -0.278
   28    HA   GLU   4           HA       GLU   4   2.542   7.219  -0.140
   29    HB2  GLU   4          2HB       GLU   4   1.906   8.798   1.674
   30    HB3  GLU   4          1HB       GLU   4   1.056   9.774   0.483
   31    HG2  GLU   4          2HG       GLU   4  -0.457   7.971   0.041
   32    HG3  GLU   4          1HG       GLU   4   0.388   6.935   1.196
   33    H    ASN   5           HN       ASN   5   1.968   6.384  -2.074
   34    HA   ASN   5           HA       ASN   5   0.251   8.005  -3.782
   35    HB2  ASN   5          2HB       ASN   5   2.753   6.608  -4.738
   36    HB3  ASN   5          1HB       ASN   5   1.463   7.109  -5.819
   37   HD21  ASN   5          1HD2      ASN   5   1.099   9.341  -6.120
   38   HD22  ASN   5          2HD2      ASN   5   2.348  10.482  -5.817
   39    H    LEU   6           HN       LEU   6  -0.770   6.725  -5.448
   40    HA   LEU   6           HA       LEU   6  -2.031   4.545  -4.266
   41    HB2  LEU   6          2HB       LEU   6  -2.133   5.616  -7.056
   42    HB3  LEU   6          1HB       LEU   6  -3.060   4.217  -6.555
   43    HG   LEU   6           HG       LEU   6  -3.295   6.977  -5.356
   44   HD11  LEU   6          1HD1      LEU   6  -4.252   6.844  -7.614
   45   HD12  LEU   6          2HD1      LEU   6  -5.495   6.949  -6.345
   46   HD13  LEU   6          3HD1      LEU   6  -5.153   5.401  -7.108
   47   HD21  LEU   6          1HD2      LEU   6  -4.723   4.405  -4.849
   48   HD22  LEU   6          2HD2      LEU   6  -5.266   5.982  -4.287
   49   HD23  LEU   6          3HD2      LEU   6  -3.745   5.326  -3.702
   50    H    ALA   7           HN       ALA   7  -1.885   2.507  -4.396
   51    HA   ALA   7           HA       ALA   7   0.365   1.222  -5.642
   52    HB1  ALA   7          1HB       ALA   7  -0.627  -0.817  -4.663
   53    HB2  ALA   7          2HB       ALA   7  -2.050   0.127  -4.207
   54    HB3  ALA   7          3HB       ALA   7  -0.492   0.484  -3.471
   55    H    ASP   8           HN       ASP   8   0.322   0.303  -7.635
   56    HA   ASP   8           HA       ASP   8  -2.147   0.595  -9.131
   57    HB2  ASP   8          2HB       ASP   8  -0.129   1.485 -10.161
   58    HB3  ASP   8          1HB       ASP   8   0.627  -0.100 -10.091
   59    H    THR   9           HN       THR   9   0.109  -1.993  -8.178
   60    HA   THR   9           HA       THR   9  -1.180  -3.993  -9.645
   61    HB   THR   9           HB       THR   9   0.428  -4.309  -7.109
   62    HG1  THR   9          1HG       THR   9   2.174  -3.972  -8.260
   63   HG21  THR   9          1HG2      THR   9  -0.634  -6.323  -8.027
   64   HG22  THR   9          2HG2      THR   9   1.130  -6.384  -8.179
   65   HG23  THR   9          3HG2      THR   9   0.128  -5.994  -9.586
   66    H    TYR  10           HN       TYR  10  -1.707  -2.629  -6.471
   67    HA   TYR  10           HA       TYR  10  -3.587  -4.652  -5.665
   68    HB2  TYR  10          2HB       TYR  10  -2.154  -3.321  -4.048
   69    HB3  TYR  10          1HB       TYR  10  -3.125  -1.915  -4.445
   70    HD1  TYR  10          1HD       TYR  10  -5.644  -2.013  -3.886
   71    HD2  TYR  10          2HD       TYR  10  -2.818  -4.808  -2.383
   72    HE1  TYR  10          1HE       TYR  10  -7.196  -2.596  -2.085
   73    HE2  TYR  10          2HE       TYR  10  -4.353  -5.409  -0.585
   74    HH   TYR  10           HH       TYR  10  -6.274  -4.308   0.639
   75    H    LYS  11           HN       LYS  11  -5.031  -4.596  -7.341
   76    HA   LYS  11           HA       LYS  11  -6.549  -2.143  -7.701
   77    HB2  LYS  11          2HB       LYS  11  -6.248  -4.596  -9.395
   78    HB3  LYS  11          1HB       LYS  11  -7.487  -3.389  -9.714
   79    HG2  LYS  11          2HG       LYS  11  -5.839  -1.688 -10.086
   80    HG3  LYS  11          1HG       LYS  11  -4.554  -2.755  -9.544
   81    HD2  LYS  11          2HD       LYS  11  -6.267  -3.316 -11.956
   82    HD3  LYS  11          1HD       LYS  11  -4.725  -2.461 -12.031
   83    HE2  LYS  11          2HE       LYS  11  -3.619  -4.403 -11.016
   84    HE3  LYS  11          1HE       LYS  11  -5.155  -5.253 -10.977
   85    HZ1  LYS  11          1HZ       LYS  11  -5.237  -5.149 -13.379
   86    HZ2  LYS  11          2HZ       LYS  11  -3.823  -5.911 -12.880
   87    HZ3  LYS  11          3HZ       LYS  11  -3.775  -4.317 -13.430
   88    H    GLY  12           HN       GLY  12  -7.884  -2.106  -6.045
   89    HA2  GLY  12          2HA       GLY  12 -10.345  -3.128  -6.188
   90    HA3  GLY  12          1HA       GLY  12  -9.458  -4.348  -5.272
   91    HA   PRO  13           HA       PRO  13 -10.393  -0.857  -2.436
   92    HB2  PRO  13          2HB       PRO  13 -12.487  -1.824  -1.053
   93    HB3  PRO  13          1HB       PRO  13 -12.684  -0.912  -2.548
   94    HG2  PRO  13          2HG       PRO  13 -12.995  -3.807  -2.055
   95    HG3  PRO  13          1HG       PRO  13 -13.749  -2.786  -3.286
   96    HD2  PRO  13          2HD       PRO  13 -11.526  -4.522  -3.618
   97    HD3  PRO  13          1HD       PRO  13 -12.161  -3.368  -4.802
   98    H    CYS  14           HN       CYS  14  -9.607  -0.793  -0.443
   99    HA   CYS  14           HA       CYS  14  -8.288  -3.068   0.646
  100    HB2  CYS  14          2HB       CYS  14  -7.274  -0.898   0.926
  101    HB3  CYS  14          1HB       CYS  14  -8.725  -0.263   1.689
  102    H    PHE  15           HN       PHE  15  -9.490  -4.646   1.526
  103    HA   PHE  15           HA       PHE  15 -11.876  -4.013   3.047
  104    HB2  PHE  15          2HB       PHE  15 -10.545  -6.709   2.643
  105    HB3  PHE  15          1HB       PHE  15 -12.165  -6.419   3.251
  106    HD1  PHE  15          1HD       PHE  15 -13.651  -4.948   1.574
  107    HD2  PHE  15          2HD       PHE  15 -10.353  -7.392   0.471
  108    HE1  PHE  15          1HE       PHE  15 -14.532  -5.115  -0.711
  109    HE2  PHE  15          2HE       PHE  15 -11.227  -7.563  -1.808
  110    HZ   PHE  15           HZ       PHE  15 -13.318  -6.428  -2.407
  111    H    THR  16           HN       THR  16  -8.707  -5.435   3.467
  112    HA   THR  16           HA       THR  16  -8.796  -4.766   6.310
  113    HB   THR  16           HB       THR  16  -7.406  -7.141   5.014
  114    HG1  THR  16          1HG       THR  16  -9.214  -8.149   5.287
  115   HG21  THR  16          1HG2      THR  16  -7.787  -6.399   7.928
  116   HG22  THR  16          2HG2      THR  16  -6.267  -6.327   7.035
  117   HG23  THR  16          3HG2      THR  16  -7.037  -7.883   7.343
  118    H    THR  17           HN       THR  17  -7.152  -3.406   6.872
  119    HA   THR  17           HA       THR  17  -5.498  -2.317   4.889
  120    HB   THR  17           HB       THR  17  -5.305  -2.072   7.898
  121    HG1  THR  17          1HG       THR  17  -6.962  -1.068   5.937
  122   HG21  THR  17          1HG2      THR  17  -3.263  -1.291   6.707
  123   HG22  THR  17          2HG2      THR  17  -4.143   0.050   7.435
  124   HG23  THR  17          3HG2      THR  17  -4.266  -0.247   5.700
  125    H    GLY  18           HN       GLY  18  -4.999  -4.829   7.274
  126    HA2  GLY  18          2HA       GLY  18  -2.246  -5.093   7.214
  127    HA3  GLY  18          1HA       GLY  18  -3.384  -6.406   7.488
  128    H    SER  19           HN       SER  19  -4.669  -6.492   5.012
  129    HA   SER  19           HA       SER  19  -2.926  -8.044   3.477
  130    HB2  SER  19          2HB       SER  19  -5.497  -6.743   2.593
  131    HB3  SER  19          1HB       SER  19  -4.803  -8.265   2.022
  132    HG   SER  19           HG       SER  19  -5.864  -9.179   3.547
  133    H    CYS  20           HN       CYS  20  -3.944  -4.699   3.306
  134    HA   CYS  20           HA       CYS  20  -2.896  -4.073   0.727
  135    HB2  CYS  20          2HB       CYS  20  -4.655  -2.738   1.754
  136    HB3  CYS  20          1HB       CYS  20  -3.605  -2.346   3.106
  137    H    ASP  21           HN       ASP  21  -1.836  -3.489   4.036
  138    HA   ASP  21           HA       ASP  21   0.648  -2.343   3.618
  139    HB2  ASP  21          2HB       ASP  21  -0.466  -2.446   5.795
  140    HB3  ASP  21          1HB       ASP  21  -0.316  -4.195   5.812
  141    H    ASP  22           HN       ASP  22  -0.278  -5.702   3.983
  142    HA   ASP  22           HA       ASP  22   2.202  -6.966   3.752
  143    HB2  ASP  22          2HB       ASP  22   0.139  -8.081   4.510
  144    HB3  ASP  22          1HB       ASP  22  -0.531  -7.926   2.896
  145    H    HIS  23           HN       HIS  23  -0.216  -6.195   1.260
  146    HA   HIS  23           HA       HIS  23   1.105  -7.377  -0.903
  147    HB2  HIS  23          2HB       HIS  23  -1.269  -6.759  -0.977
  148    HB3  HIS  23          1HB       HIS  23  -0.839  -5.058  -0.879
  149    HD1  HIS  23          1HD       HIS  23  -0.937  -7.944  -3.292
  150    HD2  HIS  23          2HD       HIS  23   0.045  -3.908  -3.246
  151    HE1  HIS  23          1HE       HIS  23  -0.801  -7.223  -5.704
  152    H    CYS  24           HN       CYS  24   1.044  -3.948   0.065
  153    HA   CYS  24           HA       CYS  24   2.837  -3.268  -1.970
  154    HB2  CYS  24          2HB       CYS  24   1.938  -1.711   0.441
  155    HB3  CYS  24          1HB       CYS  24   3.055  -1.050  -0.753
  156    H    LYS  25           HN       LYS  25   3.430  -4.341   1.267
  157    HA   LYS  25           HA       LYS  25   6.212  -3.637   1.164
  158    HB2  LYS  25          2HB       LYS  25   4.524  -5.201   3.059
  159    HB3  LYS  25          1HB       LYS  25   6.277  -5.170   3.215
  160    HG2  LYS  25          2HG       LYS  25   6.324  -2.907   3.688
  161    HG3  LYS  25          1HG       LYS  25   4.731  -2.643   2.981
  162    HD2  LYS  25          2HD       LYS  25   4.769  -2.506   5.458
  163    HD3  LYS  25          1HD       LYS  25   3.663  -3.719   4.827
  164    HE2  LYS  25          2HE       LYS  25   5.362  -5.446   5.302
  165    HE3  LYS  25          1HE       LYS  25   6.393  -4.183   5.988
  166    HZ1  LYS  25          1HZ       LYS  25   5.030  -5.441   7.648
  167    HZ2  LYS  25          2HZ       LYS  25   3.645  -4.705   6.985
  168    HZ3  LYS  25          3HZ       LYS  25   4.850  -3.778   7.684
  169    H    ASN  26           HN       ASN  26   4.377  -6.617   0.664
  170    HA   ASN  26           HA       ASN  26   6.858  -8.090   0.358
  171    HB2  ASN  26          2HB       ASN  26   4.001  -9.042   0.247
  172    HB3  ASN  26          1HB       ASN  26   5.410 -10.083   0.088
  173   HD21  ASN  26          1HD2      ASN  26   3.281 -10.040   2.075
  174   HD22  ASN  26          2HD2      ASN  26   4.050  -9.897   3.595
  175    H    LYS  27           HN       LYS  27   4.164  -7.111  -1.699
  176    HA   LYS  27           HA       LYS  27   5.399  -8.494  -3.931
  177    HB2  LYS  27          2HB       LYS  27   2.957  -8.636  -3.683
  178    HB3  LYS  27          1HB       LYS  27   2.833  -6.889  -3.769
  179    HG2  LYS  27          2HG       LYS  27   2.166  -7.908  -5.871
  180    HG3  LYS  27          1HG       LYS  27   3.629  -6.947  -6.088
  181    HD2  LYS  27          2HD       LYS  27   4.980  -9.003  -5.962
  182    HD3  LYS  27          1HD       LYS  27   3.503  -9.943  -5.761
  183    HE2  LYS  27          2HE       LYS  27   4.146  -8.228  -8.156
  184    HE3  LYS  27          1HE       LYS  27   4.392  -9.964  -8.074
  185    HZ1  LYS  27          1HZ       LYS  27   1.719  -8.674  -7.738
  186    HZ2  LYS  27          2HZ       LYS  27   2.059 -10.322  -7.905
  187    HZ3  LYS  27          3HZ       LYS  27   2.323  -9.278  -9.183
  188    H    GLU  28           HN       GLU  28   4.444  -5.202  -3.059
  189    HA   GLU  28           HA       GLU  28   5.839  -4.141  -5.349
  190    HB2  GLU  28          2HB       GLU  28   4.455  -2.696  -3.093
  191    HB3  GLU  28          1HB       GLU  28   5.121  -1.936  -4.526
  192    HG2  GLU  28          2HG       GLU  28   2.878  -3.940  -4.496
  193    HG3  GLU  28          1HG       GLU  28   2.709  -2.196  -4.697
  194    H    HIS  29           HN       HIS  29   6.640  -4.863  -2.145
  195    HA   HIS  29           HA       HIS  29   8.482  -4.677  -0.881
  196    HB2  HIS  29          2HB       HIS  29   9.754  -3.961  -3.531
  197    HB3  HIS  29          1HB       HIS  29  10.685  -4.153  -2.050
  198    HD1  HIS  29          1HD       HIS  29   8.807  -6.169  -4.653
  199    HD2  HIS  29          2HD       HIS  29  11.001  -6.767  -1.162
  200    HE1  HIS  29          1HE       HIS  29   9.241  -8.627  -4.525
  201    H    LEU  30           HN       LEU  30   6.726  -2.409  -1.125
  202    HA   LEU  30           HA       LEU  30   8.391  -0.053  -0.945
  203    HB2  LEU  30          2HB       LEU  30   5.422  -0.361  -0.495
  204    HB3  LEU  30          1HB       LEU  30   6.282   1.156  -0.629
  205    HG   LEU  30           HG       LEU  30   5.859  -0.873  -2.813
  206   HD11  LEU  30          1HD1      LEU  30   4.772   1.903  -2.420
  207   HD12  LEU  30          2HD1      LEU  30   3.872   0.389  -2.323
  208   HD13  LEU  30          3HD1      LEU  30   4.548   0.916  -3.862
  209   HD21  LEU  30          1HD2      LEU  30   8.043   0.155  -3.095
  210   HD22  LEU  30          2HD2      LEU  30   7.339   1.758  -2.896
  211   HD23  LEU  30          3HD2      LEU  30   6.923   0.783  -4.306
  212    H    ARG  31           HN       ARG  31   7.275   1.458   1.027
  213    HA   ARG  31           HA       ARG  31   8.510   0.353   3.359
  214    HB2  ARG  31          2HB       ARG  31   8.624   2.760   2.853
  215    HB3  ARG  31          1HB       ARG  31   6.885   2.886   3.037
  216    HG2  ARG  31          2HG       ARG  31   7.073   2.333   5.404
  217    HG3  ARG  31          1HG       ARG  31   8.816   2.140   5.234
  218    HD2  ARG  31          2HD       ARG  31   9.004   4.482   4.556
  219    HD3  ARG  31          1HD       ARG  31   7.267   4.692   4.752
  220    HE   ARG  31           HE       ARG  31   8.506   3.705   7.109
  221   HH11  ARG  31          1HH1      ARG  31   7.937   6.752   5.317
  222   HH12  ARG  31          2HH1      ARG  31   8.137   7.730   6.683
  223   HH21  ARG  31          1HH2      ARG  31   8.794   5.097   8.965
  224   HH22  ARG  31          2HH2      ARG  31   8.612   6.783   8.777
  225    H    SER  32           HN       SER  32   5.133   1.215   2.565
  226    HA   SER  32           HA       SER  32   4.094  -0.993   3.972
  227    HB2  SER  32          2HB       SER  32   2.838   0.307   5.705
  228    HB3  SER  32          1HB       SER  32   4.580   0.316   5.966
  229    HG   SER  32           HG       SER  32   3.084   2.343   5.934
  230    H    GLY  33           HN       GLY  33   1.570  -0.681   4.112
  231    HA2  GLY  33          2HA       GLY  33   0.715   0.884   1.774
  232    HA3  GLY  33          1HA       GLY  33   0.074  -0.716   2.112
  233    H    ARG  34           HN       ARG  34  -0.868   2.343   2.200
  234    HA   ARG  34           HA       ARG  34  -2.192   2.083   4.798
  235    HB2  ARG  34          2HB       ARG  34  -1.568   4.649   3.316
  236    HB3  ARG  34          1HB       ARG  34  -2.234   4.505   4.935
  237    HG2  ARG  34          2HG       ARG  34  -0.094   3.444   5.657
  238    HG3  ARG  34          1HG       ARG  34   0.547   3.749   4.048
  239    HD2  ARG  34          2HD       ARG  34   0.149   6.166   4.371
  240    HD3  ARG  34          1HD       ARG  34  -0.407   5.834   6.011
  241    HE   ARG  34           HE       ARG  34   2.316   5.236   5.059
  242   HH11  ARG  34          1HH1      ARG  34   0.154   6.497   7.620
  243   HH12  ARG  34          2HH1      ARG  34   1.414   6.878   8.686
  244   HH21  ARG  34          1HH2      ARG  34   4.052   5.824   6.588
  245   HH22  ARG  34          2HH2      ARG  34   3.638   6.514   8.092
  246    H    CYS  35           HN       CYS  35  -4.361   2.249   4.811
  247    HA   CYS  35           HA       CYS  35  -5.677   2.452   2.200
  248    HB2  CYS  35          2HB       CYS  35  -6.783   1.428   4.830
  249    HB3  CYS  35          1HB       CYS  35  -7.579   1.347   3.260
  250    H    ARG  36           HN       ARG  36  -6.811   4.139   1.717
  251    HA   ARG  36           HA       ARG  36  -7.327   6.079   3.847
  252    HB2  ARG  36          2HB       ARG  36  -6.886   6.481   0.895
  253    HB3  ARG  36          1HB       ARG  36  -7.308   7.778   2.016
  254    HG2  ARG  36          2HG       ARG  36  -4.783   6.117   2.059
  255    HG3  ARG  36          1HG       ARG  36  -4.918   7.782   1.490
  256    HD2  ARG  36          2HD       ARG  36  -5.621   8.462   3.752
  257    HD3  ARG  36          1HD       ARG  36  -5.432   6.794   4.288
  258    HE   ARG  36           HE       ARG  36  -3.063   7.958   3.127
  259   HH11  ARG  36          1HH1      ARG  36  -4.908   7.418   6.111
  260   HH12  ARG  36          2HH1      ARG  36  -3.587   7.778   7.129
  261   HH21  ARG  36          1HH2      ARG  36  -1.277   8.378   4.556
  262   HH22  ARG  36          2HH2      ARG  36  -1.505   8.309   6.263
  263    H    ASP  37           HN       ASP  37  -9.209   7.551   3.219
  264    HA   ASP  37           HA       ASP  37 -11.594   6.215   3.498
  265    HB2  ASP  37          2HB       ASP  37 -11.402   8.535   4.071
  266    HB3  ASP  37          1HB       ASP  37 -11.117   8.970   2.391
  267    H    ASP  38           HN       ASP  38 -10.086   7.144   0.527
  268    HA   ASP  38           HA       ASP  38 -12.379   6.617  -1.102
  269    HB2  ASP  38          2HB       ASP  38  -9.499   7.113  -1.795
  270    HB3  ASP  38          1HB       ASP  38 -10.677   6.682  -3.030
  271    H    PHE  39           HN       PHE  39 -10.649   4.516   0.580
  272    HA   PHE  39           HA       PHE  39 -10.657   2.302   0.763
  273    HB2  PHE  39          2HB       PHE  39 -12.499   2.360  -1.624
  274    HB3  PHE  39          1HB       PHE  39 -12.063   0.884  -0.777
  275    HD1  PHE  39          1HD       PHE  39 -12.867   0.477   1.483
  276    HD2  PHE  39          2HD       PHE  39 -14.019   3.948  -0.679
  277    HE1  PHE  39          1HE       PHE  39 -14.710   0.853   3.069
  278    HE2  PHE  39          2HE       PHE  39 -15.858   4.329   0.904
  279    HZ   PHE  39           HZ       PHE  39 -16.199   2.773   2.781
  280    H    ARG  40           HN       ARG  40  -9.147   3.809  -1.599
  281    HA   ARG  40           HA       ARG  40  -8.033   1.389  -2.793
  282    HB2  ARG  40          2HB       ARG  40  -8.679   3.267  -4.298
  283    HB3  ARG  40          1HB       ARG  40  -7.534   4.313  -3.464
  284    HG2  ARG  40          2HG       ARG  40  -6.576   3.664  -5.505
  285    HG3  ARG  40          1HG       ARG  40  -5.749   2.766  -4.228
  286    HD2  ARG  40          2HD       ARG  40  -7.146   0.807  -4.749
  287    HD3  ARG  40          1HD       ARG  40  -7.896   1.726  -6.064
  288    HE   ARG  40           HE       ARG  40  -5.009   1.389  -5.974
  289   HH11  ARG  40          1HH1      ARG  40  -8.062   0.649  -7.623
  290   HH12  ARG  40          2HH1      ARG  40  -7.338   0.143  -9.068
  291   HH21  ARG  40          1HH2      ARG  40  -4.000   0.653  -7.916
  292   HH22  ARG  40          2HH2      ARG  40  -4.911   0.173  -9.267
  293    H    CYS  41           HN       CYS  41  -5.656   1.166  -2.802
  294    HA   CYS  41           HA       CYS  41  -4.609   1.912  -0.247
  295    HB2  CYS  41          2HB       CYS  41  -3.707   0.009  -2.351
  296    HB3  CYS  41          1HB       CYS  41  -2.647   0.474  -1.023
  297    H    TRP  42           HN       TRP  42  -3.436   3.470   0.157
  298    HA   TRP  42           HA       TRP  42  -1.791   4.735  -1.892
  299    HB2  TRP  42          2HB       TRP  42  -3.206   5.682   0.549
  300    HB3  TRP  42          1HB       TRP  42  -1.638   6.390   0.232
  301    HD1  TRP  42          1HD       TRP  42  -1.487   8.181  -1.665
  302    HE1  TRP  42          1HE       TRP  42  -3.249   9.448  -3.049
  303    HE3  TRP  42          3HE       TRP  42  -5.581   5.284  -0.689
  304    HZ2  TRP  42          2HZ       TRP  42  -5.969   9.261  -3.647
  305    HZ3  TRP  42          3HZ       TRP  42  -7.722   5.905  -1.703
  306    HH2  TRP  42          2HH       TRP  42  -7.906   7.859  -3.164
  307    H    CYS  43           HN       CYS  43   0.065   3.664  -1.804
  308    HA   CYS  43           HA       CYS  43   0.943   2.711   0.785
  309    HB2  CYS  43          2HB       CYS  43   1.756   1.848  -1.991
  310    HB3  CYS  43          1HB       CYS  43   2.404   1.177  -0.490
  311    H    THR  44           HN       THR  44   2.926   3.110   1.563
  312    HA   THR  44           HA       THR  44   4.020   5.636   0.753
  313    HB   THR  44           HB       THR  44   4.765   3.804   3.052
  314    HG1  THR  44          1HG       THR  44   2.889   5.928   2.824
  315   HG21  THR  44          1HG2      THR  44   5.223   6.746   2.554
  316   HG22  THR  44          2HG2      THR  44   6.458   5.480   2.565
  317   HG23  THR  44          3HG2      THR  44   5.609   5.904   4.053
  318    H    LYS  45           HN       LYS  45   5.572   5.677  -0.722
  319    HA   LYS  45           HA       LYS  45   7.411   3.388  -0.957
  320    HB2  LYS  45          2HB       LYS  45   7.674   3.983  -3.310
  321    HB3  LYS  45          1HB       LYS  45   5.984   3.690  -2.931
  322    HG2  LYS  45          2HG       LYS  45   5.636   6.139  -2.806
  323    HG3  LYS  45          1HG       LYS  45   7.313   6.368  -3.304
  324    HD2  LYS  45          2HD       LYS  45   6.843   5.093  -5.359
  325    HD3  LYS  45          1HD       LYS  45   5.159   4.953  -4.858
  326    HE2  LYS  45          2HE       LYS  45   5.319   6.742  -6.437
  327    HE3  LYS  45          1HE       LYS  45   5.015   7.428  -4.850
  328    HZ1  LYS  45          1HZ       LYS  45   7.660   7.305  -6.194
  329    HZ2  LYS  45          2HZ       LYS  45   7.418   7.954  -4.686
  330    HZ3  LYS  45          3HZ       LYS  45   6.712   8.681  -6.040
  331    H    ASN  46           HN       ASN  46   9.598   3.945  -1.604
  332    HA   ASN  46           HA       ASN  46  10.480   6.353  -0.251
  333    HB2  ASN  46          2HB       ASN  46  11.972   3.944  -1.282
  334    HB3  ASN  46          1HB       ASN  46  12.795   5.373  -0.676
  335   HD21  ASN  46          1HD2      ASN  46  12.736   5.813   1.515
  336   HD22  ASN  46          2HD2      ASN  46  12.251   4.633   2.679
  337    H    CYS  47           HN       CYS  47  11.049   8.112  -1.210
  338    HA   CYS  47           HA       CYS  47  11.664   8.073  -4.055
  339    HB2  CYS  47          2HB       CYS  47  10.515  10.321  -2.361
  340    HB3  CYS  47          1HB       CYS  47  10.784  10.366  -4.101
  Start of MODEL   13
    1    H1   LYS   1          1HT       LYS   1  12.994  11.741   1.773
    2    H2   LYS   1          2HT       LYS   1  12.396  10.681   0.605
    3    H3   LYS   1          3HT       LYS   1  12.472  10.191   2.212
    4    HA   LYS   1           HA       LYS   1  10.795  11.921   2.745
    5    HB2  LYS   1          2HB       LYS   1  11.334  13.407   0.839
    6    HB3  LYS   1          1HB       LYS   1  10.824  12.160  -0.284
    7    HG2  LYS   1          2HG       LYS   1   8.521  12.346   0.711
    8    HG3  LYS   1          1HG       LYS   1   9.104  13.756   1.598
    9    HD2  LYS   1          2HD       LYS   1   9.649  14.873  -0.496
   10    HD3  LYS   1          1HD       LYS   1   9.137  13.451  -1.405
   11    HE2  LYS   1          2HE       LYS   1   6.857  13.739  -0.448
   12    HE3  LYS   1          1HE       LYS   1   7.409  15.225   0.320
   13    HZ1  LYS   1          1HZ       LYS   1   7.896  16.119  -1.904
   14    HZ2  LYS   1          2HZ       LYS   1   6.283  15.702  -1.740
   15    HZ3  LYS   1          3HZ       LYS   1   7.299  14.699  -2.604
   16    H    THR   2           HN       THR   2   8.788  10.869   3.060
   17    HA   THR   2           HA       THR   2   8.539   8.391   1.637
   18    HB   THR   2           HB       THR   2   6.412   8.226   3.069
   19    HG1  THR   2          1HG       THR   2   6.829  10.609   3.689
   20   HG21  THR   2          1HG2      THR   2   9.154   8.203   4.324
   21   HG22  THR   2          2HG2      THR   2   8.447   6.911   3.368
   22   HG23  THR   2          3HG2      THR   2   7.742   7.333   4.936
   23    H    CYS   3           HN       CYS   3   7.319   8.046   0.017
   24    HA   CYS   3           HA       CYS   3   5.566  10.213  -0.854
   25    HB2  CYS   3          2HB       CYS   3   6.032   9.167  -3.152
   26    HB3  CYS   3          1HB       CYS   3   7.357  10.048  -2.386
   27    H    GLU   4           HN       GLU   4   3.501   9.746  -1.148
   28    HA   GLU   4           HA       GLU   4   2.659   6.992  -0.658
   29    HB2  GLU   4          2HB       GLU   4   2.017   8.761   0.986
   30    HB3  GLU   4          1HB       GLU   4   1.185   9.608  -0.303
   31    HG2  GLU   4          2HG       GLU   4  -0.364   7.776  -0.533
   32    HG3  GLU   4          1HG       GLU   4   0.488   6.873   0.726
   33    H    ASN   5           HN       ASN   5   2.117   6.007  -2.489
   34    HA   ASN   5           HA       ASN   5   0.726   7.522  -4.578
   35    HB2  ASN   5          2HB       ASN   5   2.071   6.380  -6.328
   36    HB3  ASN   5          1HB       ASN   5   3.035   7.448  -5.318
   37   HD21  ASN   5          1HD2      ASN   5   2.428   4.171  -6.262
   38   HD22  ASN   5          2HD2      ASN   5   3.805   3.485  -5.502
   39    H    LEU   6           HN       LEU   6  -0.675   6.339  -5.862
   40    HA   LEU   6           HA       LEU   6  -2.047   4.301  -4.540
   41    HB2  LEU   6          2HB       LEU   6  -2.233   5.388  -7.307
   42    HB3  LEU   6          1HB       LEU   6  -3.183   4.003  -6.821
   43    HG   LEU   6           HG       LEU   6  -3.288   6.648  -5.377
   44   HD11  LEU   6          1HD1      LEU   6  -5.381   6.972  -6.528
   45   HD12  LEU   6          2HD1      LEU   6  -5.148   5.468  -7.418
   46   HD13  LEU   6          3HD1      LEU   6  -4.074   6.850  -7.715
   47   HD21  LEU   6          1HD2      LEU   6  -5.018   4.199  -5.373
   48   HD22  LEU   6          2HD2      LEU   6  -5.349   5.697  -4.508
   49   HD23  LEU   6          3HD2      LEU   6  -3.954   4.720  -4.065
   50    H    ALA   7           HN       ALA   7  -2.261   2.224  -4.734
   51    HA   ALA   7           HA       ALA   7  -0.154   0.695  -5.951
   52    HB1  ALA   7          1HB       ALA   7  -2.666  -0.160  -4.508
   53    HB2  ALA   7          2HB       ALA   7  -1.074   0.039  -3.781
   54    HB3  ALA   7          3HB       ALA   7  -1.344  -1.228  -4.977
   55    H    ASP   8           HN       ASP   8  -0.269  -0.206  -7.899
   56    HA   ASP   8           HA       ASP   8  -2.749   0.026  -9.422
   57    HB2  ASP   8          2HB       ASP   8  -0.649   0.822 -10.443
   58    HB3  ASP   8          1HB       ASP   8   0.019  -0.801 -10.304
   59    H    THR   9           HN       THR   9  -0.469  -2.340  -8.171
   60    HA   THR   9           HA       THR   9  -1.573  -4.553  -9.479
   61    HB   THR   9           HB       THR   9   0.074  -4.511  -6.951
   62    HG1  THR   9          1HG       THR   9   1.815  -4.165  -8.187
   63   HG21  THR   9          1HG2      THR   9   0.934  -6.597  -7.840
   64   HG22  THR   9          2HG2      THR   9  -0.083  -6.415  -9.277
   65   HG23  THR   9          3HG2      THR   9  -0.828  -6.680  -7.692
   66    H    TYR  10           HN       TYR  10  -2.491  -2.791  -6.646
   67    HA   TYR  10           HA       TYR  10  -3.855  -5.007  -5.431
   68    HB2  TYR  10          2HB       TYR  10  -2.825  -3.020  -4.168
   69    HB3  TYR  10          1HB       TYR  10  -4.218  -2.095  -4.715
   70    HD1  TYR  10          1HD       TYR  10  -6.483  -2.611  -3.821
   71    HD2  TYR  10          2HD       TYR  10  -3.030  -4.688  -2.475
   72    HE1  TYR  10          1HE       TYR  10  -7.738  -3.445  -1.907
   73    HE2  TYR  10          2HE       TYR  10  -4.264  -5.532  -0.562
   74    HH   TYR  10           HH       TYR  10  -6.257  -4.923   0.765
   75    H    LYS  11           HN       LYS  11  -5.399  -5.739  -6.642
   76    HA   LYS  11           HA       LYS  11  -7.307  -3.906  -7.831
   77    HB2  LYS  11          2HB       LYS  11  -8.052  -6.004  -9.095
   78    HB3  LYS  11          1HB       LYS  11  -6.468  -5.360  -9.489
   79    HG2  LYS  11          2HG       LYS  11  -5.485  -7.067  -7.939
   80    HG3  LYS  11          1HG       LYS  11  -7.094  -7.771  -7.798
   81    HD2  LYS  11          2HD       LYS  11  -7.135  -8.176 -10.199
   82    HD3  LYS  11          1HD       LYS  11  -5.550  -7.422 -10.368
   83    HE2  LYS  11          2HE       LYS  11  -4.607  -9.143  -8.859
   84    HE3  LYS  11          1HE       LYS  11  -6.184  -9.925  -8.802
   85    HZ1  LYS  11          1HZ       LYS  11  -4.508  -9.559 -11.231
   86    HZ2  LYS  11          2HZ       LYS  11  -6.034 -10.281 -11.198
   87    HZ3  LYS  11          3HZ       LYS  11  -4.749 -10.999 -10.386
   88    H    GLY  12           HN       GLY  12  -8.848  -3.388  -6.537
   89    HA2  GLY  12          2HA       GLY  12 -11.006  -4.344  -5.725
   90    HA3  GLY  12          1HA       GLY  12  -9.992  -5.393  -4.734
   91    HA   PRO  13           HA       PRO  13 -10.469  -1.206  -2.570
   92    HB2  PRO  13          2HB       PRO  13 -12.706  -2.197  -1.002
   93    HB3  PRO  13          1HB       PRO  13 -12.640  -0.761  -2.027
   94    HG2  PRO  13          2HG       PRO  13 -14.149  -2.938  -2.634
   95    HG3  PRO  13          1HG       PRO  13 -13.446  -1.878  -3.869
   96    HD2  PRO  13          2HD       PRO  13 -12.467  -4.532  -2.870
   97    HD3  PRO  13          1HD       PRO  13 -12.567  -3.921  -4.537
   98    H    CYS  14           HN       CYS  14  -9.847  -0.870  -0.419
   99    HA   CYS  14           HA       CYS  14  -8.672  -3.210   0.790
  100    HB2  CYS  14          2HB       CYS  14  -7.221  -1.294   0.593
  101    HB3  CYS  14          1HB       CYS  14  -8.381  -0.278   1.448
  102    H    PHE  15           HN       PHE  15  -9.862  -4.326   2.082
  103    HA   PHE  15           HA       PHE  15 -11.588  -2.952   3.992
  104    HB2  PHE  15          2HB       PHE  15 -11.495  -5.871   3.159
  105    HB3  PHE  15          1HB       PHE  15 -12.585  -5.211   4.377
  106    HD1  PHE  15          1HD       PHE  15 -11.955  -5.633   0.835
  107    HD2  PHE  15          2HD       PHE  15 -14.335  -3.591   3.712
  108    HE1  PHE  15          1HE       PHE  15 -13.569  -5.038  -0.921
  109    HE2  PHE  15          2HE       PHE  15 -15.948  -3.001   1.962
  110    HZ   PHE  15           HZ       PHE  15 -15.570  -3.722  -0.359
  111    H    THR  16           HN       THR  16  -9.166  -5.513   3.688
  112    HA   THR  16           HA       THR  16  -8.477  -5.209   6.488
  113    HB   THR  16           HB       THR  16  -7.220  -6.991   4.436
  114    HG1  THR  16          1HG       THR  16  -8.719  -8.545   4.987
  115   HG21  THR  16          1HG2      THR  16  -6.557  -8.346   6.390
  116   HG22  THR  16          2HG2      THR  16  -7.322  -7.163   7.450
  117   HG23  THR  16          3HG2      THR  16  -5.926  -6.700   6.478
  118    H    THR  17           HN       THR  17  -7.316  -3.441   6.741
  119    HA   THR  17           HA       THR  17  -5.717  -2.081   4.932
  120    HB   THR  17           HB       THR  17  -5.330  -2.124   7.916
  121    HG1  THR  17          1HG       THR  17  -7.340  -0.655   6.500
  122   HG21  THR  17          1HG2      THR  17  -5.213   0.084   5.850
  123   HG22  THR  17          2HG2      THR  17  -3.825  -0.705   6.601
  124   HG23  THR  17          3HG2      THR  17  -4.918   0.273   7.580
  125    H    GLY  18           HN       GLY  18  -5.056  -4.640   7.229
  126    HA2  GLY  18          2HA       GLY  18  -2.239  -4.470   7.289
  127    HA3  GLY  18          1HA       GLY  18  -3.195  -5.873   7.745
  128    H    SER  19           HN       SER  19  -4.452  -6.180   5.186
  129    HA   SER  19           HA       SER  19  -2.375  -7.718   3.959
  130    HB2  SER  19          2HB       SER  19  -4.715  -8.561   4.174
  131    HB3  SER  19          1HB       SER  19  -5.237  -7.312   3.045
  132    HG   SER  19           HG       SER  19  -3.962  -9.695   2.598
  133    H    CYS  20           HN       CYS  20  -3.955  -4.669   3.369
  134    HA   CYS  20           HA       CYS  20  -2.967  -4.330   0.707
  135    HB2  CYS  20          2HB       CYS  20  -4.866  -3.014   1.402
  136    HB3  CYS  20          1HB       CYS  20  -3.972  -2.366   2.772
  137    H    ASP  21           HN       ASP  21  -1.974  -3.326   3.912
  138    HA   ASP  21           HA       ASP  21   0.373  -1.980   3.290
  139    HB2  ASP  21          2HB       ASP  21  -0.580  -1.910   5.493
  140    HB3  ASP  21          1HB       ASP  21  -0.407  -3.648   5.680
  141    H    ASP  22           HN       ASP  22  -0.248  -5.351   3.927
  142    HA   ASP  22           HA       ASP  22   2.366  -6.371   3.705
  143    HB2  ASP  22          2HB       ASP  22   0.477  -7.590   4.721
  144    HB3  ASP  22          1HB       ASP  22  -0.281  -7.713   3.143
  145    H    HIS  23           HN       HIS  23  -0.148  -5.748   1.348
  146    HA   HIS  23           HA       HIS  23   0.965  -7.074  -0.861
  147    HB2  HIS  23          2HB       HIS  23  -1.403  -6.357  -0.749
  148    HB3  HIS  23          1HB       HIS  23  -0.893  -4.678  -0.804
  149    HD1  HIS  23          1HD       HIS  23  -1.840  -7.481  -2.963
  150    HD2  HIS  23          2HD       HIS  23   0.287  -3.938  -3.359
  151    HE1  HIS  23          1HE       HIS  23  -1.696  -7.034  -5.422
  152    H    CYS  24           HN       CYS  24   0.981  -3.614  -0.006
  153    HA   CYS  24           HA       CYS  24   2.672  -2.835  -2.087
  154    HB2  CYS  24          2HB       CYS  24   2.377  -1.536   0.631
  155    HB3  CYS  24          1HB       CYS  24   3.082  -0.780  -0.792
  156    H    LYS  25           HN       LYS  25   3.399  -4.026   1.138
  157    HA   LYS  25           HA       LYS  25   6.180  -3.573   1.054
  158    HB2  LYS  25          2HB       LYS  25   4.513  -5.492   2.655
  159    HB3  LYS  25          1HB       LYS  25   6.257  -5.360   2.822
  160    HG2  LYS  25          2HG       LYS  25   6.065  -3.074   3.523
  161    HG3  LYS  25          1HG       LYS  25   4.325  -3.108   3.225
  162    HD2  LYS  25          2HD       LYS  25   4.006  -4.726   4.968
  163    HD3  LYS  25          1HD       LYS  25   5.750  -4.880   5.202
  164    HE2  LYS  25          2HE       LYS  25   5.900  -2.639   6.016
  165    HE3  LYS  25          1HE       LYS  25   4.227  -2.311   5.571
  166    HZ1  LYS  25          1HZ       LYS  25   3.473  -3.823   7.160
  167    HZ2  LYS  25          2HZ       LYS  25   4.495  -2.738   7.953
  168    HZ3  LYS  25          3HZ       LYS  25   5.030  -4.318   7.608
  169    H    ASN  26           HN       ASN  26   4.348  -6.581   0.493
  170    HA   ASN  26           HA       ASN  26   6.797  -7.928  -0.232
  171    HB2  ASN  26          2HB       ASN  26   3.954  -8.896  -0.136
  172    HB3  ASN  26          1HB       ASN  26   5.285  -9.879  -0.729
  173   HD21  ASN  26          1HD2      ASN  26   3.785  -8.471   2.011
  174   HD22  ASN  26          2HD2      ASN  26   4.693  -9.303   3.206
  175    H    LYS  27           HN       LYS  27   3.748  -7.394  -1.963
  176    HA   LYS  27           HA       LYS  27   4.732  -8.495  -4.345
  177    HB2  LYS  27          2HB       LYS  27   2.376  -8.498  -3.929
  178    HB3  LYS  27          1HB       LYS  27   2.337  -6.750  -3.788
  179    HG2  LYS  27          2HG       LYS  27   1.410  -7.477  -5.902
  180    HG3  LYS  27          1HG       LYS  27   2.878  -6.527  -6.143
  181    HD2  LYS  27          2HD       LYS  27   4.070  -8.826  -6.209
  182    HD3  LYS  27          1HD       LYS  27   2.455  -9.480  -6.483
  183    HE2  LYS  27          2HE       LYS  27   3.612  -9.070  -8.578
  184    HE3  LYS  27          1HE       LYS  27   2.203  -8.021  -8.436
  185    HZ1  LYS  27          1HZ       LYS  27   3.707  -6.198  -7.733
  186    HZ2  LYS  27          2HZ       LYS  27   4.139  -6.809  -9.240
  187    HZ3  LYS  27          3HZ       LYS  27   5.016  -7.266  -7.877
  188    H    GLU  28           HN       GLU  28   4.395  -5.194  -3.276
  189    HA   GLU  28           HA       GLU  28   5.566  -4.323  -5.792
  190    HB2  GLU  28          2HB       GLU  28   4.309  -2.739  -3.577
  191    HB3  GLU  28          1HB       GLU  28   4.985  -2.033  -5.037
  192    HG2  GLU  28          2HG       GLU  28   2.716  -4.002  -4.914
  193    HG3  GLU  28          1HG       GLU  28   2.583  -2.272  -5.234
  194    H    HIS  29           HN       HIS  29   6.729  -5.199  -2.860
  195    HA   HIS  29           HA       HIS  29   8.734  -5.089  -1.823
  196    HB2  HIS  29          2HB       HIS  29   9.699  -3.849  -4.421
  197    HB3  HIS  29          1HB       HIS  29  10.747  -4.419  -3.133
  198    HD1  HIS  29          1HD       HIS  29   9.618  -5.449  -6.322
  199    HD2  HIS  29          2HD       HIS  29  10.069  -7.368  -2.662
  200    HE1  HIS  29          1HE       HIS  29   9.826  -7.892  -6.851
  201    H    LEU  30           HN       LEU  30   6.867  -2.826  -1.628
  202    HA   LEU  30           HA       LEU  30   8.642  -0.530  -1.346
  203    HB2  LEU  30          2HB       LEU  30   5.644  -0.676  -1.101
  204    HB3  LEU  30          1HB       LEU  30   6.610   0.784  -1.124
  205    HG   LEU  30           HG       LEU  30   6.193  -1.142  -3.399
  206   HD11  LEU  30          1HD1      LEU  30   5.319   1.708  -3.030
  207   HD12  LEU  30          2HD1      LEU  30   4.293   0.269  -3.004
  208   HD13  LEU  30          3HD1      LEU  30   5.109   0.743  -4.490
  209   HD21  LEU  30          1HD2      LEU  30   7.498   0.456  -4.760
  210   HD22  LEU  30          2HD2      LEU  30   8.461  -0.324  -3.512
  211   HD23  LEU  30          3HD2      LEU  30   7.910   1.335  -3.286
  212    H    ARG  31           HN       ARG  31   7.746   0.944   0.580
  213    HA   ARG  31           HA       ARG  31   8.701  -0.330   2.907
  214    HB2  ARG  31          2HB       ARG  31   9.122   2.022   2.553
  215    HB3  ARG  31          1HB       ARG  31   7.395   2.360   2.535
  216    HG2  ARG  31          2HG       ARG  31   7.269   1.620   4.879
  217    HG3  ARG  31          1HG       ARG  31   9.018   1.408   4.872
  218    HD2  ARG  31          2HD       ARG  31   9.306   3.789   4.381
  219    HD3  ARG  31          1HD       ARG  31   7.557   3.987   4.347
  220    HE   ARG  31           HE       ARG  31   7.851   2.948   6.728
  221   HH11  ARG  31          1HH1      ARG  31   9.898   5.474   5.264
  222   HH12  ARG  31          2HH1      ARG  31  10.090   6.310   6.727
  223   HH21  ARG  31          1HH2      ARG  31   8.188   4.082   8.713
  224   HH22  ARG  31          2HH2      ARG  31   9.118   5.499   8.742
  225    H    SER  32           HN       SER  32   5.455   1.051   2.233
  226    HA   SER  32           HA       SER  32   4.211  -1.009   3.844
  227    HB2  SER  32          2HB       SER  32   4.075   1.907   4.678
  228    HB3  SER  32          1HB       SER  32   3.167   0.584   5.409
  229    HG   SER  32           HG       SER  32   5.736  -0.079   5.356
  230    H    GLY  33           HN       GLY  33   1.734  -0.489   3.946
  231    HA2  GLY  33          2HA       GLY  33   0.919   1.038   1.583
  232    HA3  GLY  33          1HA       GLY  33   0.314  -0.600   1.801
  233    H    ARG  34           HN       ARG  34  -0.882   2.266   1.877
  234    HA   ARG  34           HA       ARG  34  -2.205   1.906   4.451
  235    HB2  ARG  34          2HB       ARG  34  -1.464   4.487   3.087
  236    HB3  ARG  34          1HB       ARG  34  -2.507   4.376   4.495
  237    HG2  ARG  34          2HG       ARG  34  -0.647   3.362   5.753
  238    HG3  ARG  34          1HG       ARG  34   0.389   3.577   4.338
  239    HD2  ARG  34          2HD       ARG  34   0.028   5.978   4.431
  240    HD3  ARG  34          1HD       ARG  34  -1.044   5.769   5.815
  241    HE   ARG  34           HE       ARG  34   1.632   4.727   6.132
  242   HH11  ARG  34          1HH1      ARG  34  -0.505   7.489   6.629
  243   HH12  ARG  34          2HH1      ARG  34   0.395   8.147   7.920
  244   HH21  ARG  34          1HH2      ARG  34   2.876   5.602   7.864
  245   HH22  ARG  34          2HH2      ARG  34   2.408   7.042   8.636
  246    H    CYS  35           HN       CYS  35  -4.352   2.280   4.526
  247    HA   CYS  35           HA       CYS  35  -5.696   2.404   1.920
  248    HB2  CYS  35          2HB       CYS  35  -6.724   1.330   4.551
  249    HB3  CYS  35          1HB       CYS  35  -7.513   1.195   2.976
  250    H    ARG  36           HN       ARG  36  -6.544   4.221   1.498
  251    HA   ARG  36           HA       ARG  36  -6.920   6.145   3.647
  252    HB2  ARG  36          2HB       ARG  36  -6.896   6.454   0.667
  253    HB3  ARG  36          1HB       ARG  36  -7.143   7.797   1.788
  254    HG2  ARG  36          2HG       ARG  36  -4.676   6.065   1.585
  255    HG3  ARG  36          1HG       ARG  36  -4.838   7.702   0.953
  256    HD2  ARG  36          2HD       ARG  36  -5.021   6.888   3.853
  257    HD3  ARG  36          1HD       ARG  36  -3.641   7.668   3.084
  258    HE   ARG  36           HE       ARG  36  -5.794   9.296   2.598
  259   HH11  ARG  36          1HH1      ARG  36  -4.106   8.115   5.488
  260   HH12  ARG  36          2HH1      ARG  36  -4.443   9.515   6.401
  261   HH21  ARG  36          1HH2      ARG  36  -6.271  11.181   3.892
  262   HH22  ARG  36          2HH2      ARG  36  -5.679  11.274   5.487
  263    H    ASP  37           HN       ASP  37  -8.763   7.799   2.961
  264    HA   ASP  37           HA       ASP  37 -11.151   6.826   3.876
  265    HB2  ASP  37          2HB       ASP  37 -10.533   9.203   3.791
  266    HB3  ASP  37          1HB       ASP  37 -10.747   9.191   2.049
  267    H    ASP  38           HN       ASP  38 -10.127   7.000   0.560
  268    HA   ASP  38           HA       ASP  38 -12.664   6.381  -0.652
  269    HB2  ASP  38          2HB       ASP  38  -9.855   6.455  -1.682
  270    HB3  ASP  38          1HB       ASP  38 -11.122   5.732  -2.651
  271    H    PHE  39           HN       PHE  39 -10.807   4.430   1.222
  272    HA   PHE  39           HA       PHE  39 -10.518   2.202   1.518
  273    HB2  PHE  39          2HB       PHE  39 -12.734   2.022  -0.543
  274    HB3  PHE  39          1HB       PHE  39 -11.948   0.583   0.075
  275    HD1  PHE  39          1HD       PHE  39 -12.625  -0.376   2.082
  276    HD2  PHE  39          2HD       PHE  39 -13.984   3.529   1.070
  277    HE1  PHE  39          1HE       PHE  39 -14.240  -0.472   3.924
  278    HE2  PHE  39          2HE       PHE  39 -15.605   3.438   2.928
  279    HZ   PHE  39           HZ       PHE  39 -15.730   1.431   4.352
  280    H    ARG  40           HN       ARG  40  -9.237   3.848  -0.646
  281    HA   ARG  40           HA       ARG  40  -8.391   1.677  -2.399
  282    HB2  ARG  40          2HB       ARG  40  -9.264   3.840  -3.401
  283    HB3  ARG  40          1HB       ARG  40  -7.830   4.631  -2.767
  284    HG2  ARG  40          2HG       ARG  40  -7.555   4.121  -5.113
  285    HG3  ARG  40          1HG       ARG  40  -6.434   3.165  -4.138
  286    HD2  ARG  40          2HD       ARG  40  -7.946   1.242  -4.289
  287    HD3  ARG  40          1HD       ARG  40  -9.059   2.204  -5.263
  288    HE   ARG  40           HE       ARG  40  -6.949   2.393  -6.741
  289   HH11  ARG  40          1HH1      ARG  40  -8.239  -0.502  -5.120
  290   HH12  ARG  40          2HH1      ARG  40  -7.495  -1.584  -6.204
  291   HH21  ARG  40          1HH2      ARG  40  -6.060   0.883  -8.276
  292   HH22  ARG  40          2HH2      ARG  40  -6.276  -0.801  -8.066
  293    H    CYS  41           HN       CYS  41  -6.103   1.437  -2.835
  294    HA   CYS  41           HA       CYS  41  -4.632   1.748  -0.378
  295    HB2  CYS  41          2HB       CYS  41  -4.402  -0.102  -2.702
  296    HB3  CYS  41          1HB       CYS  41  -3.058   0.093  -1.587
  297    H    TRP  42           HN       TRP  42  -3.311   3.241  -0.121
  298    HA   TRP  42           HA       TRP  42  -1.763   4.299  -2.359
  299    HB2  TRP  42          2HB       TRP  42  -2.996   5.516   0.031
  300    HB3  TRP  42          1HB       TRP  42  -1.339   6.006  -0.263
  301    HD1  TRP  42          1HD       TRP  42  -0.881   7.478  -2.476
  302    HE1  TRP  42          1HE       TRP  42  -2.416   8.961  -3.887
  303    HE3  TRP  42          3HE       TRP  42  -5.413   5.692  -0.910
  304    HZ2  TRP  42          2HZ       TRP  42  -5.175   9.347  -4.294
  305    HZ3  TRP  42          3HZ       TRP  42  -7.460   6.692  -1.869
  306    HH2  TRP  42          2HH       TRP  42  -7.332   8.477  -3.522
  307    H    CYS  43           HN       CYS  43   0.104   3.266  -2.395
  308    HA   CYS  43           HA       CYS  43   1.172   2.003  -0.059
  309    HB2  CYS  43          2HB       CYS  43   2.316   2.278  -2.842
  310    HB3  CYS  43          1HB       CYS  43   2.964   1.263  -1.564
  311    H    THR  44           HN       THR  44   2.954   2.642   1.037
  312    HA   THR  44           HA       THR  44   3.928   5.328   0.421
  313    HB   THR  44           HB       THR  44   3.893   3.849   3.068
  314    HG1  THR  44          1HG       THR  44   1.935   4.976   1.805
  315   HG21  THR  44          1HG2      THR  44   4.557   6.735   2.403
  316   HG22  THR  44          2HG2      THR  44   5.722   5.500   2.883
  317   HG23  THR  44          3HG2      THR  44   4.495   6.044   4.024
  318    H    LYS  45           HN       LYS  45   5.905   5.283  -0.394
  319    HA   LYS  45           HA       LYS  45   7.717   3.186   0.529
  320    HB2  LYS  45          2HB       LYS  45   8.668   2.963  -1.689
  321    HB3  LYS  45          1HB       LYS  45   6.930   2.746  -1.809
  322    HG2  LYS  45          2HG       LYS  45   6.781   5.128  -2.564
  323    HG3  LYS  45          1HG       LYS  45   8.542   5.144  -2.627
  324    HD2  LYS  45          2HD       LYS  45   8.383   3.149  -4.172
  325    HD3  LYS  45          1HD       LYS  45   6.649   3.442  -4.237
  326    HE2  LYS  45          2HE       LYS  45   8.860   5.280  -5.149
  327    HE3  LYS  45          1HE       LYS  45   7.675   4.454  -6.150
  328    HZ1  LYS  45          1HZ       LYS  45   5.943   5.821  -4.985
  329    HZ2  LYS  45          2HZ       LYS  45   7.022   6.669  -5.952
  330    HZ3  LYS  45          3HZ       LYS  45   7.222   6.700  -4.281
  331    H    ASN  46           HN       ASN  46  10.053   3.943   0.001
  332    HA   ASN  46           HA       ASN  46  10.144   6.683   0.962
  333    HB2  ASN  46          2HB       ASN  46  12.363   4.620   0.939
  334    HB3  ASN  46          1HB       ASN  46  12.495   6.248   1.582
  335   HD21  ASN  46          1HD2      ASN  46  11.461   3.046   2.155
  336   HD22  ASN  46          2HD2      ASN  46  10.969   3.255   3.784
  337    H    CYS  47           HN       CYS  47  10.500   8.199  -0.358
  338    HA   CYS  47           HA       CYS  47  11.988   7.706  -2.813
  339    HB2  CYS  47          2HB       CYS  47   9.881   9.767  -2.105
  340    HB3  CYS  47          1HB       CYS  47  10.889   9.902  -3.539
  Start of MODEL   14
    1    H1   LYS   1          1HT       LYS   1  11.859   9.961   4.523
    2    H2   LYS   1          2HT       LYS   1  12.751  11.343   4.062
    3    H3   LYS   1          3HT       LYS   1  12.508  10.064   2.988
    4    HA   LYS   1           HA       LYS   1  10.292  11.660   4.033
    5    HB2  LYS   1          2HB       LYS   1  11.833  12.962   2.573
    6    HB3  LYS   1          1HB       LYS   1  11.652  11.732   1.335
    7    HG2  LYS   1          2HG       LYS   1   9.206  12.231   1.286
    8    HG3  LYS   1          1HG       LYS   1   9.516  13.581   2.378
    9    HD2  LYS   1          2HD       LYS   1  10.733  13.217  -0.359
   10    HD3  LYS   1          1HD       LYS   1   9.403  14.306   0.032
   11    HE2  LYS   1          2HE       LYS   1  10.820  15.590   1.475
   12    HE3  LYS   1          1HE       LYS   1  12.152  14.461   1.263
   13    HZ1  LYS   1          1HZ       LYS   1  12.134  15.036  -1.115
   14    HZ2  LYS   1          2HZ       LYS   1  12.521  16.319  -0.126
   15    HZ3  LYS   1          3HZ       LYS   1  10.985  16.231  -0.822
   16    H    THR   2           HN       THR   2   8.344  10.813   3.397
   17    HA   THR   2           HA       THR   2   8.483   8.457   1.697
   18    HB   THR   2           HB       THR   2   6.274   7.917   2.909
   19    HG1  THR   2          1HG       THR   2   5.834   9.023   4.698
   20   HG21  THR   2          1HG2      THR   2   8.334   6.657   3.154
   21   HG22  THR   2          2HG2      THR   2   7.505   6.786   4.712
   22   HG23  THR   2          3HG2      THR   2   8.917   7.794   4.368
   23    H    CYS   3           HN       CYS   3   7.138   8.338  -0.002
   24    HA   CYS   3           HA       CYS   3   5.094  10.388  -0.159
   25    HB2  CYS   3          2HB       CYS   3   5.393  10.670  -2.558
   26    HB3  CYS   3          1HB       CYS   3   6.944  10.926  -1.790
   27    H    GLU   4           HN       GLU   4   3.208   9.695  -1.383
   28    HA   GLU   4           HA       GLU   4   2.930   6.794  -1.132
   29    HB2  GLU   4          2HB       GLU   4   2.088   8.208   0.763
   30    HB3  GLU   4          1HB       GLU   4   0.932   8.893  -0.360
   31    HG2  GLU   4          2HG       GLU   4  -0.088   6.776  -0.667
   32    HG3  GLU   4          1HG       GLU   4   1.129   5.987   0.344
   33    H    ASN   5           HN       ASN   5   1.735   5.845  -2.725
   34    HA   ASN   5           HA       ASN   5   0.319   7.476  -4.676
   35    HB2  ASN   5          2HB       ASN   5   2.657   7.399  -5.503
   36    HB3  ASN   5          1HB       ASN   5   2.637   5.648  -5.402
   37   HD21  ASN   5          1HD2      ASN   5   1.488   8.442  -7.152
   38   HD22  ASN   5          2HD2      ASN   5   0.989   7.575  -8.558
   39    H    LEU   6           HN       LEU   6  -1.127   6.192  -5.959
   40    HA   LEU   6           HA       LEU   6  -2.385   4.139  -4.573
   41    HB2  LEU   6          2HB       LEU   6  -2.653   5.236  -7.319
   42    HB3  LEU   6          1HB       LEU   6  -3.475   3.746  -6.915
   43    HG   LEU   6           HG       LEU   6  -3.857   6.304  -5.355
   44   HD11  LEU   6          1HD1      LEU   6  -5.961   6.488  -6.515
   45   HD12  LEU   6          2HD1      LEU   6  -5.583   5.082  -7.502
   46   HD13  LEU   6          3HD1      LEU   6  -4.641   6.578  -7.689
   47   HD21  LEU   6          1HD2      LEU   6  -4.369   4.253  -4.154
   48   HD22  LEU   6          2HD2      LEU   6  -5.378   3.720  -5.496
   49   HD23  LEU   6          3HD2      LEU   6  -5.834   5.142  -4.561
   50    H    ALA   7           HN       ALA   7  -2.647   2.037  -4.849
   51    HA   ALA   7           HA       ALA   7  -0.539   0.537  -6.162
   52    HB1  ALA   7          1HB       ALA   7  -2.882  -0.327  -4.452
   53    HB2  ALA   7          2HB       ALA   7  -1.222  -0.116  -3.902
   54    HB3  ALA   7          3HB       ALA   7  -1.617  -1.403  -5.039
   55    H    ASP   8           HN       ASP   8  -0.797  -0.096  -8.168
   56    HA   ASP   8           HA       ASP   8  -3.246   0.316  -9.626
   57    HB2  ASP   8          2HB       ASP   8  -1.135   0.872 -10.668
   58    HB3  ASP   8          1HB       ASP   8  -0.562  -0.777 -10.474
   59    H    THR   9           HN       THR   9  -1.319  -2.525  -8.705
   60    HA   THR   9           HA       THR   9  -2.872  -4.374 -10.131
   61    HB   THR   9           HB       THR   9  -1.019  -4.868  -7.815
   62    HG1  THR   9          1HG       THR   9   0.607  -4.834  -9.328
   63   HG21  THR   9          1HG2      THR   9  -2.276  -6.786  -8.640
   64   HG22  THR   9          2HG2      THR   9  -0.560  -6.936  -9.045
   65   HG23  THR   9          3HG2      THR   9  -1.726  -6.438 -10.280
   66    H    TYR  10           HN       TYR  10  -2.873  -3.112  -6.850
   67    HA   TYR  10           HA       TYR  10  -4.516  -5.139  -5.743
   68    HB2  TYR  10          2HB       TYR  10  -3.074  -3.629  -4.357
   69    HB3  TYR  10          1HB       TYR  10  -4.166  -2.302  -4.729
   70    HD1  TYR  10          1HD       TYR  10  -6.604  -2.497  -3.947
   71    HD2  TYR  10          2HD       TYR  10  -3.531  -5.101  -2.580
   72    HE1  TYR  10          1HE       TYR  10  -8.004  -3.130  -2.065
   73    HE2  TYR  10          2HE       TYR  10  -4.924  -5.749  -0.681
   74    HH   TYR  10           HH       TYR  10  -6.892  -4.607   0.611
   75    H    LYS  11           HN       LYS  11  -6.485  -5.498  -6.297
   76    HA   LYS  11           HA       LYS  11  -8.186  -3.264  -7.063
   77    HB2  LYS  11          2HB       LYS  11  -9.458  -4.991  -8.389
   78    HB3  LYS  11          1HB       LYS  11  -7.843  -4.611  -8.961
   79    HG2  LYS  11          2HG       LYS  11  -7.009  -6.660  -7.839
   80    HG3  LYS  11          1HG       LYS  11  -8.671  -7.054  -7.401
   81    HD2  LYS  11          2HD       LYS  11  -8.023  -8.273  -9.390
   82    HD3  LYS  11          1HD       LYS  11  -9.263  -7.087  -9.786
   83    HE2  LYS  11          2HE       LYS  11  -7.548  -7.110 -11.486
   84    HE3  LYS  11          1HE       LYS  11  -7.524  -5.567 -10.658
   85    HZ1  LYS  11          1HZ       LYS  11  -5.637  -7.828 -10.159
   86    HZ2  LYS  11          2HZ       LYS  11  -5.560  -6.320  -9.405
   87    HZ3  LYS  11          3HZ       LYS  11  -5.308  -6.447 -11.049
   88    H    GLY  12           HN       GLY  12 -10.060  -3.014  -6.059
   89    HA2  GLY  12          2HA       GLY  12 -11.980  -3.967  -4.912
   90    HA3  GLY  12          1HA       GLY  12 -10.857  -5.034  -4.066
   91    HA   PRO  13           HA       PRO  13 -11.281  -1.027  -1.681
   92    HB2  PRO  13          2HB       PRO  13 -13.256  -1.900   0.133
   93    HB3  PRO  13          1HB       PRO  13 -13.483  -0.752  -1.184
   94    HG2  PRO  13          2HG       PRO  13 -14.586  -3.348  -0.983
   95    HG3  PRO  13          1HG       PRO  13 -14.644  -2.279  -2.387
   96    HD2  PRO  13          2HD       PRO  13 -12.893  -4.602  -1.846
   97    HD3  PRO  13          1HD       PRO  13 -13.405  -3.911  -3.399
   98    H    CYS  14           HN       CYS  14 -10.140  -0.757   0.178
   99    HA   CYS  14           HA       CYS  14  -8.860  -3.045   1.260
  100    HB2  CYS  14          2HB       CYS  14  -7.544  -1.057   1.148
  101    HB3  CYS  14          1HB       CYS  14  -8.730  -0.142   2.074
  102    H    PHE  15           HN       PHE  15  -9.785  -4.376   2.565
  103    HA   PHE  15           HA       PHE  15 -11.716  -3.444   4.527
  104    HB2  PHE  15          2HB       PHE  15 -10.759  -6.269   3.956
  105    HB3  PHE  15          1HB       PHE  15 -12.077  -5.826   5.030
  106    HD1  PHE  15          1HD       PHE  15 -14.011  -4.454   3.920
  107    HD2  PHE  15          2HD       PHE  15 -11.229  -6.860   1.780
  108    HE1  PHE  15          1HE       PHE  15 -15.592  -4.614   2.054
  109    HE2  PHE  15          2HE       PHE  15 -12.815  -7.023  -0.093
  110    HZ   PHE  15           HZ       PHE  15 -14.994  -5.900   0.038
  111    H    THR  16           HN       THR  16  -8.940  -5.687   4.650
  112    HA   THR  16           HA       THR  16  -8.305  -4.670   7.303
  113    HB   THR  16           HB       THR  16  -7.087  -7.006   5.827
  114    HG1  THR  16          1HG       THR  16  -9.504  -6.766   7.277
  115   HG21  THR  16          1HG2      THR  16  -6.547  -7.799   8.102
  116   HG22  THR  16          2HG2      THR  16  -7.286  -6.349   8.779
  117   HG23  THR  16          3HG2      THR  16  -5.833  -6.217   7.787
  118    H    THR  17           HN       THR  17  -6.802  -3.061   7.323
  119    HA   THR  17           HA       THR  17  -5.310  -2.229   5.140
  120    HB   THR  17           HB       THR  17  -4.813  -1.707   8.080
  121    HG1  THR  17          1HG       THR  17  -6.248  -0.396   6.031
  122   HG21  THR  17          1HG2      THR  17  -3.883  -0.145   5.648
  123   HG22  THR  17          2HG2      THR  17  -2.844  -1.123   6.682
  124   HG23  THR  17          3HG2      THR  17  -3.626   0.318   7.333
  125    H    GLY  18           HN       GLY  18  -4.456  -4.502   7.677
  126    HA2  GLY  18          2HA       GLY  18  -1.725  -4.737   7.219
  127    HA3  GLY  18          1HA       GLY  18  -2.750  -6.027   7.828
  128    H    SER  19           HN       SER  19  -4.403  -6.200   5.431
  129    HA   SER  19           HA       SER  19  -2.816  -7.962   3.873
  130    HB2  SER  19          2HB       SER  19  -5.512  -6.790   3.184
  131    HB3  SER  19          1HB       SER  19  -4.845  -8.340   2.661
  132    HG   SER  19           HG       SER  19  -5.995  -8.994   4.289
  133    H    CYS  20           HN       CYS  20  -3.939  -4.665   3.563
  134    HA   CYS  20           HA       CYS  20  -3.181  -4.266   0.843
  135    HB2  CYS  20          2HB       CYS  20  -4.917  -2.907   1.872
  136    HB3  CYS  20          1HB       CYS  20  -3.789  -2.337   3.092
  137    H    ASP  21           HN       ASP  21  -1.750  -3.566   3.988
  138    HA   ASP  21           HA       ASP  21   0.604  -2.340   3.061
  139    HB2  ASP  21          2HB       ASP  21  -0.039  -2.083   5.365
  140    HB3  ASP  21          1HB       ASP  21  -0.005  -3.823   5.619
  141    H    ASP  22           HN       ASP  22  -0.249  -5.686   3.650
  142    HA   ASP  22           HA       ASP  22   2.245  -6.890   3.188
  143    HB2  ASP  22          2HB       ASP  22   0.287  -8.162   4.011
  144    HB3  ASP  22          1HB       ASP  22  -0.497  -7.934   2.456
  145    H    HIS  23           HN       HIS  23  -0.321  -5.924   0.951
  146    HA   HIS  23           HA       HIS  23   0.871  -6.928  -1.377
  147    HB2  HIS  23          2HB       HIS  23  -1.522  -6.259  -1.238
  148    HB3  HIS  23          1HB       HIS  23  -1.031  -4.579  -1.097
  149    HD1  HIS  23          1HD       HIS  23  -1.538  -7.298  -3.612
  150    HD2  HIS  23          2HD       HIS  23  -0.093  -3.412  -3.457
  151    HE1  HIS  23          1HE       HIS  23  -1.342  -6.547  -6.007
  152    H    CYS  24           HN       CYS  24   0.981  -3.725   0.110
  153    HA   CYS  24           HA       CYS  24   2.640  -2.665  -1.877
  154    HB2  CYS  24          2HB       CYS  24   2.213  -1.694   0.942
  155    HB3  CYS  24          1HB       CYS  24   3.002  -0.779  -0.335
  156    H    LYS  25           HN       LYS  25   3.467  -4.230   1.239
  157    HA   LYS  25           HA       LYS  25   6.268  -3.622   0.927
  158    HB2  LYS  25          2HB       LYS  25   5.021  -5.727   2.689
  159    HB3  LYS  25          1HB       LYS  25   6.691  -5.221   2.743
  160    HG2  LYS  25          2HG       LYS  25   5.686  -2.900   3.352
  161    HG3  LYS  25          1HG       LYS  25   4.240  -3.842   3.754
  162    HD2  LYS  25          2HD       LYS  25   5.808  -5.376   5.071
  163    HD3  LYS  25          1HD       LYS  25   7.015  -4.116   4.895
  164    HE2  LYS  25          2HE       LYS  25   4.399  -4.006   6.382
  165    HE3  LYS  25          1HE       LYS  25   6.023  -3.850   7.036
  166    HZ1  LYS  25          1HZ       LYS  25   5.129  -1.712   6.976
  167    HZ2  LYS  25          2HZ       LYS  25   4.420  -1.968   5.507
  168    HZ3  LYS  25          3HZ       LYS  25   6.118  -1.728   5.590
  169    H    ASN  26           HN       ASN  26   4.362  -6.584   0.575
  170    HA   ASN  26           HA       ASN  26   6.707  -8.111  -0.139
  171    HB2  ASN  26          2HB       ASN  26   3.826  -8.856   0.313
  172    HB3  ASN  26          1HB       ASN  26   5.014 -10.013  -0.274
  173   HD21  ASN  26          1HD2      ASN  26   3.437  -9.723   2.365
  174   HD22  ASN  26          2HD2      ASN  26   4.681  -9.836   3.530
  175    H    LYS  27           HN       LYS  27   3.840  -6.926  -1.790
  176    HA   LYS  27           HA       LYS  27   4.628  -8.404  -4.149
  177    HB2  LYS  27          2HB       LYS  27   2.166  -6.810  -3.472
  178    HB3  LYS  27          1HB       LYS  27   2.496  -7.292  -5.121
  179    HG2  LYS  27          2HG       LYS  27   0.900  -8.802  -4.026
  180    HG3  LYS  27          1HG       LYS  27   2.364  -9.649  -4.490
  181    HD2  LYS  27          2HD       LYS  27   3.142  -9.611  -2.190
  182    HD3  LYS  27          1HD       LYS  27   1.746  -8.661  -1.695
  183    HE2  LYS  27          2HE       LYS  27   0.260 -10.492  -2.299
  184    HE3  LYS  27          1HE       LYS  27   1.629 -11.427  -2.895
  185    HZ1  LYS  27          1HZ       LYS  27   2.503 -11.541  -0.667
  186    HZ2  LYS  27          2HZ       LYS  27   0.928 -12.106  -0.658
  187    HZ3  LYS  27          3HZ       LYS  27   1.265 -10.577  -0.049
  188    H    GLU  28           HN       GLU  28   4.015  -5.036  -3.257
  189    HA   GLU  28           HA       GLU  28   5.114  -4.088  -5.756
  190    HB2  GLU  28          2HB       GLU  28   4.079  -2.603  -3.354
  191    HB3  GLU  28          1HB       GLU  28   4.593  -1.843  -4.848
  192    HG2  GLU  28          2HG       GLU  28   2.372  -3.860  -4.633
  193    HG3  GLU  28          1HG       GLU  28   2.149  -2.110  -4.689
  194    H    HIS  29           HN       HIS  29   6.373  -4.865  -2.753
  195    HA   HIS  29           HA       HIS  29   8.383  -4.733  -1.792
  196    HB2  HIS  29          2HB       HIS  29   9.206  -4.049  -4.600
  197    HB3  HIS  29          1HB       HIS  29  10.384  -4.101  -3.292
  198    HD1  HIS  29          1HD       HIS  29  11.375  -6.349  -2.816
  199    HD2  HIS  29          2HD       HIS  29   7.829  -6.595  -4.961
  200    HE1  HIS  29          1HE       HIS  29  11.087  -8.782  -3.396
  201    H    LEU  30           HN       LEU  30   6.671  -2.493  -1.638
  202    HA   LEU  30           HA       LEU  30   8.561  -0.289  -1.458
  203    HB2  LEU  30          2HB       LEU  30   5.553  -0.306  -1.254
  204    HB3  LEU  30          1HB       LEU  30   6.555   1.125  -1.105
  205    HG   LEU  30           HG       LEU  30   6.181  -0.576  -3.565
  206   HD11  LEU  30          1HD1      LEU  30   5.252   1.481  -4.516
  207   HD12  LEU  30          2HD1      LEU  30   5.385   2.253  -2.935
  208   HD13  LEU  30          3HD1      LEU  30   4.322   0.863  -3.157
  209   HD21  LEU  30          1HD2      LEU  30   7.996   1.803  -3.143
  210   HD22  LEU  30          2HD2      LEU  30   7.588   1.101  -4.700
  211   HD23  LEU  30          3HD2      LEU  30   8.483   0.146  -3.521
  212    H    ARG  31           HN       ARG  31   7.561   1.198   0.521
  213    HA   ARG  31           HA       ARG  31   8.730  -0.145   2.726
  214    HB2  ARG  31          2HB       ARG  31   9.186   2.185   2.404
  215    HB3  ARG  31          1HB       ARG  31   7.476   2.573   2.446
  216    HG2  ARG  31          2HG       ARG  31   7.372   2.011   4.793
  217    HG3  ARG  31          1HG       ARG  31   9.068   1.519   4.774
  218    HD2  ARG  31          2HD       ARG  31   9.762   3.762   4.253
  219    HD3  ARG  31          1HD       ARG  31   8.090   4.274   4.057
  220    HE   ARG  31           HE       ARG  31   8.049   3.406   6.531
  221   HH11  ARG  31          1HH1      ARG  31  10.595   5.429   5.023
  222   HH12  ARG  31          2HH1      ARG  31  10.777   6.404   6.398
  223   HH21  ARG  31          1HH2      ARG  31   8.352   4.808   8.384
  224   HH22  ARG  31          2HH2      ARG  31   9.492   6.061   8.326
  225    H    SER  32           HN       SER  32   5.424   1.168   2.226
  226    HA   SER  32           HA       SER  32   4.361  -0.893   3.934
  227    HB2  SER  32          2HB       SER  32   5.230   0.889   5.513
  228    HB3  SER  32          1HB       SER  32   4.109   2.019   4.768
  229    HG   SER  32           HG       SER  32   2.990  -0.366   5.708
  230    H    GLY  33           HN       GLY  33   1.893  -0.509   4.102
  231    HA2  GLY  33          2HA       GLY  33   0.933   1.009   1.778
  232    HA3  GLY  33          1HA       GLY  33   0.335  -0.611   2.100
  233    H    ARG  34           HN       ARG  34  -0.973   2.096   2.020
  234    HA   ARG  34           HA       ARG  34  -2.281   1.907   4.620
  235    HB2  ARG  34          2HB       ARG  34  -1.472   4.419   3.159
  236    HB3  ARG  34          1HB       ARG  34  -2.545   4.378   4.547
  237    HG2  ARG  34          2HG       ARG  34   0.336   3.510   4.511
  238    HG3  ARG  34          1HG       ARG  34  -0.291   5.019   5.179
  239    HD2  ARG  34          2HD       ARG  34  -1.659   3.721   6.760
  240    HD3  ARG  34          1HD       ARG  34  -0.988   2.233   6.103
  241    HE   ARG  34           HE       ARG  34   0.592   4.286   7.456
  242   HH11  ARG  34          1HH1      ARG  34   0.031   0.877   6.637
  243   HH12  ARG  34          2HH1      ARG  34   1.048   0.259   7.847
  244   HH21  ARG  34          1HH2      ARG  34   2.035   3.443   9.104
  245   HH22  ARG  34          2HH2      ARG  34   2.232   1.762   9.286
  246    H    CYS  35           HN       CYS  35  -4.414   2.430   4.626
  247    HA   CYS  35           HA       CYS  35  -5.726   2.433   2.006
  248    HB2  CYS  35          2HB       CYS  35  -6.872   1.666   4.700
  249    HB3  CYS  35          1HB       CYS  35  -7.575   1.380   3.106
  250    H    ARG  36           HN       ARG  36  -6.562   4.273   1.496
  251    HA   ARG  36           HA       ARG  36  -6.812   6.275   3.590
  252    HB2  ARG  36          2HB       ARG  36  -6.599   6.539   0.617
  253    HB3  ARG  36          1HB       ARG  36  -6.816   7.921   1.712
  254    HG2  ARG  36          2HG       ARG  36  -4.487   6.000   1.683
  255    HG3  ARG  36          1HG       ARG  36  -4.470   7.635   1.027
  256    HD2  ARG  36          2HD       ARG  36  -4.843   8.555   3.242
  257    HD3  ARG  36          1HD       ARG  36  -4.990   6.936   3.921
  258    HE   ARG  36           HE       ARG  36  -2.511   7.475   2.551
  259   HH11  ARG  36          1HH1      ARG  36  -4.214   7.590   5.661
  260   HH12  ARG  36          2HH1      ARG  36  -2.817   7.437   6.604
  261   HH21  ARG  36          1HH2      ARG  36  -0.601   7.265   3.824
  262   HH22  ARG  36          2HH2      ARG  36  -0.675   7.281   5.532
  263    H    ASP  37           HN       ASP  37  -8.530   8.058   2.744
  264    HA   ASP  37           HA       ASP  37 -10.983   6.981   3.580
  265    HB2  ASP  37          2HB       ASP  37 -11.911   9.177   3.326
  266    HB3  ASP  37          1HB       ASP  37 -10.278   9.325   3.949
  267    H    ASP  38           HN       ASP  38  -9.712   7.067   0.468
  268    HA   ASP  38           HA       ASP  38 -12.330   6.818  -0.797
  269    HB2  ASP  38          2HB       ASP  38  -9.540   6.737  -1.959
  270    HB3  ASP  38          1HB       ASP  38 -10.982   6.420  -2.915
  271    H    PHE  39           HN       PHE  39 -10.515   4.889   0.999
  272    HA   PHE  39           HA       PHE  39 -10.355   2.745   1.470
  273    HB2  PHE  39          2HB       PHE  39 -12.841   2.571  -0.220
  274    HB3  PHE  39          1HB       PHE  39 -12.174   1.173   0.622
  275    HD1  PHE  39          1HD       PHE  39 -13.885   4.364   0.990
  276    HD2  PHE  39          2HD       PHE  39 -12.189   1.058   3.041
  277    HE1  PHE  39          1HE       PHE  39 -15.011   5.069   3.054
  278    HE2  PHE  39          2HE       PHE  39 -13.311   1.758   5.111
  279    HZ   PHE  39           HZ       PHE  39 -14.726   3.765   5.120
  280    H    ARG  40           HN       ARG  40  -9.187   3.824  -1.031
  281    HA   ARG  40           HA       ARG  40  -8.629   1.307  -2.409
  282    HB2  ARG  40          2HB       ARG  40  -9.287   3.560  -3.574
  283    HB3  ARG  40          1HB       ARG  40  -7.630   4.030  -3.232
  284    HG2  ARG  40          2HG       ARG  40  -7.795   3.221  -5.484
  285    HG3  ARG  40          1HG       ARG  40  -6.844   2.086  -4.523
  286    HD2  ARG  40          2HD       ARG  40  -8.451   0.940  -5.994
  287    HD3  ARG  40          1HD       ARG  40  -8.787   0.615  -4.299
  288    HE   ARG  40           HE       ARG  40 -10.202   2.826  -5.516
  289   HH11  ARG  40          1HH1      ARG  40 -10.341  -0.627  -4.743
  290   HH12  ARG  40          2HH1      ARG  40 -12.041  -0.663  -4.653
  291   HH21  ARG  40          1HH2      ARG  40 -12.579   2.738  -5.354
  292   HH22  ARG  40          2HH2      ARG  40 -13.310   1.245  -4.988
  293    H    CYS  41           HN       CYS  41  -6.202   0.966  -2.919
  294    HA   CYS  41           HA       CYS  41  -4.819   1.462  -0.454
  295    HB2  CYS  41          2HB       CYS  41  -4.444  -0.529  -2.636
  296    HB3  CYS  41          1HB       CYS  41  -3.130  -0.157  -1.519
  297    H    TRP  42           HN       TRP  42  -3.291   2.710  -0.134
  298    HA   TRP  42           HA       TRP  42  -1.868   3.961  -2.356
  299    HB2  TRP  42          2HB       TRP  42  -3.163   5.004   0.068
  300    HB3  TRP  42          1HB       TRP  42  -1.552   5.628  -0.205
  301    HD1  TRP  42          1HD       TRP  42  -1.227   7.246  -2.310
  302    HE1  TRP  42          1HE       TRP  42  -2.875   8.626  -3.686
  303    HE3  TRP  42          3HE       TRP  42  -5.568   4.944  -0.931
  304    HZ2  TRP  42          2HZ       TRP  42  -5.653   8.755  -4.133
  305    HZ3  TRP  42          3HZ       TRP  42  -7.683   5.772  -1.871
  306    HH2  TRP  42          2HH       TRP  42  -7.721   7.639  -3.446
  307    H    CYS  43           HN       CYS  43   0.178   3.287  -2.374
  308    HA   CYS  43           HA       CYS  43   1.210   1.941  -0.018
  309    HB2  CYS  43          2HB       CYS  43   2.304   2.070  -2.828
  310    HB3  CYS  43          1HB       CYS  43   2.980   1.122  -1.509
  311    H    THR  44           HN       THR  44   2.829   2.643   1.159
  312    HA   THR  44           HA       THR  44   3.859   5.331   0.748
  313    HB   THR  44           HB       THR  44   4.233   3.388   3.032
  314    HG1  THR  44          1HG       THR  44   2.117   5.036   2.364
  315   HG21  THR  44          1HG2      THR  44   4.694   6.367   2.815
  316   HG22  THR  44          2HG2      THR  44   5.929   5.123   2.981
  317   HG23  THR  44          3HG2      THR  44   4.821   5.444   4.311
  318    H    LYS  45           HN       LYS  45   5.930   5.602   0.019
  319    HA   LYS  45           HA       LYS  45   7.849   3.454   0.428
  320    HB2  LYS  45          2HB       LYS  45   8.736   3.832  -1.871
  321    HB3  LYS  45          1HB       LYS  45   7.121   3.139  -1.838
  322    HG2  LYS  45          2HG       LYS  45   6.147   5.273  -2.371
  323    HG3  LYS  45          1HG       LYS  45   7.730   6.045  -2.289
  324    HD2  LYS  45          2HD       LYS  45   8.490   4.653  -4.160
  325    HD3  LYS  45          1HD       LYS  45   6.892   3.910  -4.243
  326    HE2  LYS  45          2HE       LYS  45   5.886   6.034  -4.768
  327    HE3  LYS  45          1HE       LYS  45   7.428   6.856  -4.555
  328    HZ1  LYS  45          1HZ       LYS  45   6.821   4.831  -6.639
  329    HZ2  LYS  45          2HZ       LYS  45   8.302   5.601  -6.406
  330    HZ3  LYS  45          3HZ       LYS  45   6.968   6.495  -6.875
  331    H    ASN  46           HN       ASN  46  10.106   4.298   0.012
  332    HA   ASN  46           HA       ASN  46  10.315   6.890   1.319
  333    HB2  ASN  46          2HB       ASN  46  12.495   4.942   0.519
  334    HB3  ASN  46          1HB       ASN  46  12.740   6.415   1.443
  335   HD21  ASN  46          1HD2      ASN  46  11.614   3.166   1.498
  336   HD22  ASN  46          2HD2      ASN  46  11.445   3.028   3.195
  337    H    CYS  47           HN       CYS  47  10.835   8.673   0.280
  338    HA   CYS  47           HA       CYS  47  11.524   8.397  -2.539
  339    HB2  CYS  47          2HB       CYS  47   9.468  10.295  -1.385
  340    HB3  CYS  47          1HB       CYS  47   9.836  10.045  -3.097
  Start of MODEL   15
    1    H1   LYS   1          1HT       LYS   1  11.960  10.584   3.774
    2    H2   LYS   1          2HT       LYS   1  11.849  12.278   3.816
    3    H3   LYS   1          3HT       LYS   1  11.593  11.413   2.373
    4    HA   LYS   1           HA       LYS   1   9.929  11.094   4.780
    5    HB2  LYS   1          2HB       LYS   1   8.199  12.352   3.645
    6    HB3  LYS   1          1HB       LYS   1   9.637  13.353   3.741
    7    HG2  LYS   1          2HG       LYS   1  10.129  12.971   1.408
    8    HG3  LYS   1          1HG       LYS   1   8.823  11.797   1.290
    9    HD2  LYS   1          2HD       LYS   1   8.473  14.733   1.908
   10    HD3  LYS   1          1HD       LYS   1   8.229  13.997   0.325
   11    HE2  LYS   1          2HE       LYS   1   6.434  12.582   1.299
   12    HE3  LYS   1          1HE       LYS   1   6.667  13.386   2.846
   13    HZ1  LYS   1          1HZ       LYS   1   5.995  15.485   1.803
   14    HZ2  LYS   1          2HZ       LYS   1   4.801  14.318   1.624
   15    HZ3  LYS   1          3HZ       LYS   1   5.784  14.700   0.335
   16    H    THR   2           HN       THR   2   7.665  10.396   3.554
   17    HA   THR   2           HA       THR   2   8.417   8.336   1.670
   18    HB   THR   2           HB       THR   2   6.360   7.178   2.735
   19    HG1  THR   2          1HG       THR   2   7.087   8.234   5.145
   20   HG21  THR   2          1HG2      THR   2   8.630   6.277   2.865
   21   HG22  THR   2          2HG2      THR   2   7.823   6.095   4.421
   22   HG23  THR   2          3HG2      THR   2   9.010   7.378   4.187
   23    H    CYS   3           HN       CYS   3   6.882   7.964   0.071
   24    HA   CYS   3           HA       CYS   3   4.961  10.156  -0.247
   25    HB2  CYS   3          2HB       CYS   3   6.343   8.555  -2.400
   26    HB3  CYS   3          1HB       CYS   3   5.283   9.947  -2.625
   27    H    GLU   4           HN       GLU   4   2.912   9.627  -0.608
   28    HA   GLU   4           HA       GLU   4   2.184   6.822  -0.408
   29    HB2  GLU   4          2HB       GLU   4   1.389   8.585   1.167
   30    HB3  GLU   4          1HB       GLU   4   0.585   9.353  -0.182
   31    HG2  GLU   4          2HG       GLU   4  -0.890   7.515  -0.424
   32    HG3  GLU   4          1HG       GLU   4  -0.014   6.602   0.818
   33    H    ASN   5           HN       ASN   5   1.722   5.800  -2.276
   34    HA   ASN   5           HA       ASN   5   0.446   7.274  -4.487
   35    HB2  ASN   5          2HB       ASN   5   2.864   7.155  -4.964
   36    HB3  ASN   5          1HB       ASN   5   2.825   5.412  -4.752
   37   HD21  ASN   5          1HD2      ASN   5   2.045   4.130  -6.426
   38   HD22  ASN   5          2HD2      ASN   5   1.669   4.784  -7.975
   39    H    LEU   6           HN       LEU   6  -0.998   6.041  -5.728
   40    HA   LEU   6           HA       LEU   6  -2.317   3.964  -4.438
   41    HB2  LEU   6          2HB       LEU   6  -2.487   5.118  -7.161
   42    HB3  LEU   6          1HB       LEU   6  -3.318   3.621  -6.822
   43    HG   LEU   6           HG       LEU   6  -3.770   6.155  -5.238
   44   HD11  LEU   6          1HD1      LEU   6  -4.466   6.433  -7.580
   45   HD12  LEU   6          2HD1      LEU   6  -5.844   6.276  -6.464
   46   HD13  LEU   6          3HD1      LEU   6  -5.354   4.903  -7.455
   47   HD21  LEU   6          1HD2      LEU   6  -5.266   3.559  -5.447
   48   HD22  LEU   6          2HD2      LEU   6  -5.767   4.977  -4.530
   49   HD23  LEU   6          3HD2      LEU   6  -4.316   4.099  -4.062
   50    H    ALA   7           HN       ALA   7  -2.364   1.900  -4.514
   51    HA   ALA   7           HA       ALA   7  -0.401   0.400  -6.031
   52    HB1  ALA   7          1HB       ALA   7  -0.845  -0.247  -3.705
   53    HB2  ALA   7          2HB       ALA   7  -1.372  -1.532  -4.801
   54    HB3  ALA   7          3HB       ALA   7  -2.556  -0.434  -4.086
   55    H    ASP   8           HN       ASP   8  -0.972   0.232  -8.085
   56    HA   ASP   8           HA       ASP   8  -3.722   0.398  -8.927
   57    HB2  ASP   8          2HB       ASP   8  -1.831   1.459 -10.166
   58    HB3  ASP   8          1HB       ASP   8  -1.266  -0.154 -10.593
   59    H    THR   9           HN       THR   9  -1.307  -2.025  -8.527
   60    HA   THR   9           HA       THR   9  -2.697  -4.032 -10.012
   61    HB   THR   9           HB       THR   9  -0.239  -4.039  -9.822
   62    HG1  THR   9          1HG       THR   9  -1.773  -6.235  -8.998
   63   HG21  THR   9          1HG2      THR   9  -0.736  -4.758  -6.942
   64   HG22  THR   9          2HG2      THR   9  -0.069  -3.236  -7.518
   65   HG23  THR   9          3HG2      THR   9   0.836  -4.737  -7.741
   66    H    TYR  10           HN       TYR  10  -3.199  -2.734  -6.968
   67    HA   TYR  10           HA       TYR  10  -4.173  -5.136  -5.717
   68    HB2  TYR  10          2HB       TYR  10  -3.210  -3.258  -4.370
   69    HB3  TYR  10          1HB       TYR  10  -4.515  -2.220  -4.923
   70    HD1  TYR  10          1HD       TYR  10  -6.840  -2.637  -4.133
   71    HD2  TYR  10          2HD       TYR  10  -3.540  -4.841  -2.607
   72    HE1  TYR  10          1HE       TYR  10  -8.213  -3.358  -2.255
   73    HE2  TYR  10          2HE       TYR  10  -4.886  -5.570  -0.707
   74    HH   TYR  10           HH       TYR  10  -8.338  -5.026  -0.686
   75    H    LYS  11           HN       LYS  11  -6.030  -5.957  -6.381
   76    HA   LYS  11           HA       LYS  11  -7.863  -4.170  -7.753
   77    HB2  LYS  11          2HB       LYS  11  -8.944  -6.208  -8.641
   78    HB3  LYS  11          1HB       LYS  11  -7.256  -6.067  -9.090
   79    HG2  LYS  11          2HG       LYS  11  -6.668  -7.714  -7.376
   80    HG3  LYS  11          1HG       LYS  11  -8.370  -7.849  -6.928
   81    HD2  LYS  11          2HD       LYS  11  -8.903  -8.602  -9.189
   82    HD3  LYS  11          1HD       LYS  11  -7.207  -8.465  -9.642
   83    HE2  LYS  11          2HE       LYS  11  -6.637 -10.156  -7.947
   84    HE3  LYS  11          1HE       LYS  11  -8.340 -10.309  -7.533
   85    HZ1  LYS  11          1HZ       LYS  11  -7.662 -12.050  -9.033
   86    HZ2  LYS  11          2HZ       LYS  11  -7.119 -10.925 -10.160
   87    HZ3  LYS  11          3HZ       LYS  11  -8.767 -11.043  -9.814
   88    H    GLY  12           HN       GLY  12  -9.832  -3.747  -7.083
   89    HA2  GLY  12          2HA       GLY  12 -11.822  -4.180  -5.883
   90    HA3  GLY  12          1HA       GLY  12 -10.917  -5.262  -4.833
   91    HA   PRO  13           HA       PRO  13 -11.128  -1.197  -2.644
   92    HB2  PRO  13          2HB       PRO  13 -12.825  -2.275  -0.635
   93    HB3  PRO  13          1HB       PRO  13 -13.269  -1.097  -1.864
   94    HG2  PRO  13          2HG       PRO  13 -14.244  -3.702  -1.698
   95    HG3  PRO  13          1HG       PRO  13 -14.311  -2.677  -3.138
   96    HD2  PRO  13          2HD       PRO  13 -12.398  -4.860  -2.446
   97    HD3  PRO  13          1HD       PRO  13 -13.072  -4.407  -4.026
   98    H    CYS  14           HN       CYS  14 -10.362  -0.795  -0.452
   99    HA   CYS  14           HA       CYS  14  -8.499  -2.772   0.428
  100    HB2  CYS  14          2HB       CYS  14  -7.833  -0.476   0.626
  101    HB3  CYS  14          1HB       CYS  14  -9.280  -0.085   1.554
  102    H    PHE  15           HN       PHE  15  -9.234  -4.460   1.434
  103    HA   PHE  15           HA       PHE  15 -11.609  -4.426   3.039
  104    HB2  PHE  15          2HB       PHE  15  -9.500  -6.586   2.842
  105    HB3  PHE  15          1HB       PHE  15 -11.159  -6.777   3.406
  106    HD1  PHE  15          1HD       PHE  15 -13.013  -6.134   1.703
  107    HD2  PHE  15          2HD       PHE  15  -8.999  -7.033   0.647
  108    HE1  PHE  15          1HE       PHE  15 -13.726  -6.590  -0.595
  109    HE2  PHE  15          2HE       PHE  15  -9.700  -7.495  -1.651
  110    HZ   PHE  15           HZ       PHE  15 -12.068  -7.270  -2.283
  111    H    THR  16           HN       THR  16  -8.174  -4.923   3.655
  112    HA   THR  16           HA       THR  16  -8.433  -3.491   6.126
  113    HB   THR  16           HB       THR  16  -8.478  -5.721   7.013
  114    HG1  THR  16          1HG       THR  16  -6.749  -5.583   8.284
  115   HG21  THR  16          1HG2      THR  16  -6.829  -7.425   6.362
  116   HG22  THR  16          2HG2      THR  16  -6.199  -6.263   5.171
  117   HG23  THR  16          3HG2      THR  16  -7.832  -6.898   4.995
  118    H    THR  17           HN       THR  17  -6.605  -2.338   6.603
  119    HA   THR  17           HA       THR  17  -4.942  -1.867   4.376
  120    HB   THR  17           HB       THR  17  -5.779  -0.150   5.945
  121    HG1  THR  17          1HG       THR  17  -2.961  -0.332   5.422
  122   HG21  THR  17          1HG2      THR  17  -5.338  -1.239   8.072
  123   HG22  THR  17          2HG2      THR  17  -4.502   0.311   8.024
  124   HG23  THR  17          3HG2      THR  17  -3.602  -1.187   7.771
  125    H    GLY  18           HN       GLY  18  -4.816  -4.065   6.964
  126    HA2  GLY  18          2HA       GLY  18  -1.993  -4.309   7.222
  127    HA3  GLY  18          1HA       GLY  18  -3.192  -5.523   7.678
  128    H    SER  19           HN       SER  19  -4.419  -6.077   5.390
  129    HA   SER  19           HA       SER  19  -2.710  -7.780   3.948
  130    HB2  SER  19          2HB       SER  19  -5.176  -8.061   4.069
  131    HB3  SER  19          1HB       SER  19  -5.378  -6.601   3.111
  132    HG   SER  19           HG       SER  19  -4.715  -9.146   2.382
  133    H    CYS  20           HN       CYS  20  -3.987  -4.580   3.293
  134    HA   CYS  20           HA       CYS  20  -2.941  -4.168   0.742
  135    HB2  CYS  20          2HB       CYS  20  -4.695  -2.819   1.846
  136    HB3  CYS  20          1HB       CYS  20  -3.476  -2.186   2.941
  137    H    ASP  21           HN       ASP  21  -1.640  -3.445   3.966
  138    HA   ASP  21           HA       ASP  21   0.742  -2.214   3.216
  139    HB2  ASP  21          2HB       ASP  21  -0.045  -2.094   5.468
  140    HB3  ASP  21          1HB       ASP  21   0.025  -3.838   5.658
  141    H    ASP  22           HN       ASP  22  -0.024  -5.584   3.773
  142    HA   ASP  22           HA       ASP  22   2.604  -6.627   3.417
  143    HB2  ASP  22          2HB       ASP  22   0.712  -7.858   4.491
  144    HB3  ASP  22          1HB       ASP  22  -0.042  -7.992   2.913
  145    H    HIS  23           HN       HIS  23  -0.130  -6.111   1.249
  146    HA   HIS  23           HA       HIS  23   0.948  -7.164  -1.087
  147    HB2  HIS  23          2HB       HIS  23  -1.441  -6.520  -0.727
  148    HB3  HIS  23          1HB       HIS  23  -0.966  -4.834  -0.744
  149    HD1  HIS  23          1HD       HIS  23  -1.888  -7.649  -2.978
  150    HD2  HIS  23          2HD       HIS  23  -0.208  -3.865  -3.297
  151    HE1  HIS  23          1HE       HIS  23  -2.070  -7.019  -5.399
  152    H    CYS  24           HN       CYS  24   1.035  -3.841   0.192
  153    HA   CYS  24           HA       CYS  24   2.607  -2.796  -1.872
  154    HB2  CYS  24          2HB       CYS  24   2.355  -1.851   0.984
  155    HB3  CYS  24          1HB       CYS  24   3.089  -0.926  -0.319
  156    H    LYS  25           HN       LYS  25   3.589  -4.246   1.219
  157    HA   LYS  25           HA       LYS  25   6.365  -3.718   0.938
  158    HB2  LYS  25          2HB       LYS  25   4.844  -5.728   2.556
  159    HB3  LYS  25          1HB       LYS  25   6.594  -5.717   2.527
  160    HG2  LYS  25          2HG       LYS  25   6.591  -3.447   3.423
  161    HG3  LYS  25          1HG       LYS  25   4.821  -3.465   3.441
  162    HD2  LYS  25          2HD       LYS  25   4.772  -5.235   5.037
  163    HD3  LYS  25          1HD       LYS  25   6.503  -5.512   4.862
  164    HE2  LYS  25          2HE       LYS  25   5.926  -4.335   6.950
  165    HE3  LYS  25          1HE       LYS  25   6.991  -3.398   5.906
  166    HZ1  LYS  25          1HZ       LYS  25   4.043  -3.028   6.078
  167    HZ2  LYS  25          2HZ       LYS  25   5.162  -2.093   5.212
  168    HZ3  LYS  25          3HZ       LYS  25   5.191  -2.091   6.887
  169    H    ASN  26           HN       ASN  26   4.422  -6.512   0.089
  170    HA   ASN  26           HA       ASN  26   6.788  -7.919  -0.809
  171    HB2  ASN  26          2HB       ASN  26   3.949  -8.780  -0.395
  172    HB3  ASN  26          1HB       ASN  26   5.181  -9.837  -1.093
  173   HD21  ASN  26          1HD2      ASN  26   3.648  -9.789   1.583
  174   HD22  ASN  26          2HD2      ASN  26   4.912  -9.980   2.721
  175    H    LYS  27           HN       LYS  27   3.608  -7.213  -2.237
  176    HA   LYS  27           HA       LYS  27   4.292  -8.180  -4.801
  177    HB2  LYS  27          2HB       LYS  27   1.989  -8.137  -4.175
  178    HB3  LYS  27          1HB       LYS  27   2.056  -6.431  -3.782
  179    HG2  LYS  27          2HG       LYS  27   0.841  -6.724  -5.823
  180    HG3  LYS  27          1HG       LYS  27   2.372  -5.929  -6.176
  181    HD2  LYS  27          2HD       LYS  27   3.295  -8.117  -6.864
  182    HD3  LYS  27          1HD       LYS  27   1.700  -8.834  -6.604
  183    HE2  LYS  27          2HE       LYS  27   1.923  -8.340  -8.938
  184    HE3  LYS  27          1HE       LYS  27   0.774  -7.206  -8.239
  185    HZ1  LYS  27          1HZ       LYS  27   2.251  -6.014  -9.676
  186    HZ2  LYS  27          2HZ       LYS  27   3.599  -6.673  -8.956
  187    HZ3  LYS  27          3HZ       LYS  27   2.673  -5.554  -8.106
  188    H    GLU  28           HN       GLU  28   4.027  -4.880  -3.537
  189    HA   GLU  28           HA       GLU  28   5.162  -3.924  -6.037
  190    HB2  GLU  28          2HB       GLU  28   4.013  -2.423  -3.703
  191    HB3  GLU  28          1HB       GLU  28   4.649  -1.658  -5.152
  192    HG2  GLU  28          2HG       GLU  28   2.310  -3.550  -4.987
  193    HG3  GLU  28          1HG       GLU  28   2.246  -1.817  -5.314
  194    H    HIS  29           HN       HIS  29   6.196  -4.780  -3.054
  195    HA   HIS  29           HA       HIS  29   7.969  -4.498  -1.759
  196    HB2  HIS  29          2HB       HIS  29   9.050  -5.640  -3.713
  197    HB3  HIS  29          1HB       HIS  29   9.519  -4.058  -4.325
  198    HD1  HIS  29          1HD       HIS  29  11.823  -3.293  -3.592
  199    HD2  HIS  29          2HD       HIS  29  10.179  -6.121  -1.034
  200    HE1  HIS  29          1HE       HIS  29  13.597  -3.789  -1.891
  201    H    LEU  30           HN       LEU  30   6.769  -2.583  -1.206
  202    HA   LEU  30           HA       LEU  30   8.544  -0.260  -1.360
  203    HB2  LEU  30          2HB       LEU  30   5.534  -0.316  -1.057
  204    HB3  LEU  30          1HB       LEU  30   6.521   1.132  -1.006
  205    HG   LEU  30           HG       LEU  30   6.189  -0.677  -3.403
  206   HD11  LEU  30          1HD1      LEU  30   4.187   0.573  -2.949
  207   HD12  LEU  30          2HD1      LEU  30   4.995   1.194  -4.384
  208   HD13  LEU  30          3HD1      LEU  30   5.111   2.073  -2.856
  209   HD21  LEU  30          1HD2      LEU  30   7.373   1.093  -4.614
  210   HD22  LEU  30          2HD2      LEU  30   8.382   0.328  -3.394
  211   HD23  LEU  30          3HD2      LEU  30   7.684   1.921  -3.088
  212    H    ARG  31           HN       ARG  31   7.582   1.212   0.697
  213    HA   ARG  31           HA       ARG  31   8.785  -0.139   2.883
  214    HB2  ARG  31          2HB       ARG  31   8.895   2.323   2.511
  215    HB3  ARG  31          1HB       ARG  31   7.193   2.425   2.946
  216    HG2  ARG  31          2HG       ARG  31   7.759   1.448   5.154
  217    HG3  ARG  31          1HG       ARG  31   9.459   1.528   4.702
  218    HD2  ARG  31          2HD       ARG  31   9.120   4.003   4.340
  219    HD3  ARG  31          1HD       ARG  31   7.541   3.809   5.111
  220    HE   ARG  31           HE       ARG  31   9.726   2.695   6.552
  221   HH11  ARG  31          1HH1      ARG  31   7.687   5.604   6.264
  222   HH12  ARG  31          2HH1      ARG  31   8.269   6.297   7.683
  223   HH21  ARG  31          1HH2      ARG  31  10.498   3.669   8.489
  224   HH22  ARG  31          2HH2      ARG  31   9.908   5.187   8.975
  225    H    SER  32           HN       SER  32   5.477   1.066   2.414
  226    HA   SER  32           HA       SER  32   4.373  -1.085   3.908
  227    HB2  SER  32          2HB       SER  32   3.337   0.558   5.601
  228    HB3  SER  32          1HB       SER  32   5.029   0.125   5.832
  229    HG   SER  32           HG       SER  32   4.626   2.354   6.038
  230    H    GLY  33           HN       GLY  33   1.897  -0.338   4.349
  231    HA2  GLY  33          2HA       GLY  33   0.986   1.300   2.116
  232    HA3  GLY  33          1HA       GLY  33   0.402  -0.358   2.204
  233    H    ARG  34           HN       ARG  34  -0.795   2.446   2.555
  234    HA   ARG  34           HA       ARG  34  -2.364   1.722   4.879
  235    HB2  ARG  34          2HB       ARG  34  -1.117   4.456   4.494
  236    HB3  ARG  34          1HB       ARG  34  -2.467   4.158   5.571
  237    HG2  ARG  34          2HG       ARG  34  -1.008   2.527   6.801
  238    HG3  ARG  34          1HG       ARG  34   0.335   3.074   5.798
  239    HD2  ARG  34          2HD       ARG  34   0.345   4.245   7.946
  240    HD3  ARG  34          1HD       ARG  34  -0.003   5.377   6.638
  241    HE   ARG  34           HE       ARG  34  -2.450   4.644   7.419
  242   HH11  ARG  34          1HH1      ARG  34   0.293   5.824   9.401
  243   HH12  ARG  34          2HH1      ARG  34  -0.738   6.544  10.555
  244   HH21  ARG  34          1HH2      ARG  34  -3.775   5.633   9.039
  245   HH22  ARG  34          2HH2      ARG  34  -3.052   6.435  10.362
  246    H    CYS  35           HN       CYS  35  -4.335   1.631   4.312
  247    HA   CYS  35           HA       CYS  35  -5.309   2.670   1.842
  248    HB2  CYS  35          2HB       CYS  35  -6.834   1.595   4.208
  249    HB3  CYS  35          1HB       CYS  35  -7.446   1.788   2.564
  250    H    ARG  36           HN       ARG  36  -6.573   4.352   1.439
  251    HA   ARG  36           HA       ARG  36  -6.697   6.336   3.568
  252    HB2  ARG  36          2HB       ARG  36  -6.641   6.687   0.590
  253    HB3  ARG  36          1HB       ARG  36  -6.757   8.020   1.747
  254    HG2  ARG  36          2HG       ARG  36  -4.446   6.132   1.308
  255    HG3  ARG  36          1HG       ARG  36  -4.503   7.848   0.922
  256    HD2  ARG  36          2HD       ARG  36  -4.512   6.581   3.662
  257    HD3  ARG  36          1HD       ARG  36  -3.217   7.519   2.929
  258    HE   ARG  36           HE       ARG  36  -5.840   8.626   3.645
  259   HH11  ARG  36          1HH1      ARG  36  -2.352   9.031   3.347
  260   HH12  ARG  36          2HH1      ARG  36  -2.312  10.508   4.195
  261   HH21  ARG  36          1HH2      ARG  36  -5.803  10.643   4.773
  262   HH22  ARG  36          2HH2      ARG  36  -4.321  11.473   4.965
  263    H    ASP  37           HN       ASP  37  -8.514   8.085   2.754
  264    HA   ASP  37           HA       ASP  37 -10.923   6.978   3.585
  265    HB2  ASP  37          2HB       ASP  37 -10.482   9.596   2.149
  266    HB3  ASP  37          1HB       ASP  37 -11.987   9.128   2.921
  267    H    ASP  38           HN       ASP  38  -9.676   7.382   0.412
  268    HA   ASP  38           HA       ASP  38 -12.121   7.029  -1.011
  269    HB2  ASP  38          2HB       ASP  38  -9.259   6.681  -1.902
  270    HB3  ASP  38          1HB       ASP  38 -10.617   6.417  -2.981
  271    H    PHE  39           HN       PHE  39 -10.493   4.893   0.883
  272    HA   PHE  39           HA       PHE  39 -10.607   2.693   1.295
  273    HB2  PHE  39          2HB       PHE  39 -12.916   2.759  -0.656
  274    HB3  PHE  39          1HB       PHE  39 -12.452   1.320   0.240
  275    HD1  PHE  39          1HD       PHE  39 -14.200   4.469   0.332
  276    HD2  PHE  39          2HD       PHE  39 -12.645   1.314   2.718
  277    HE1  PHE  39          1HE       PHE  39 -15.621   5.189   2.199
  278    HE2  PHE  39          2HE       PHE  39 -14.059   2.027   4.597
  279    HZ   PHE  39           HZ       PHE  39 -15.554   3.969   4.340
  280    H    ARG  40           HN       ARG  40  -9.177   3.826  -1.106
  281    HA   ARG  40           HA       ARG  40  -8.711   1.268  -2.466
  282    HB2  ARG  40          2HB       ARG  40  -9.297   3.466  -3.752
  283    HB3  ARG  40          1HB       ARG  40  -7.651   3.944  -3.382
  284    HG2  ARG  40          2HG       ARG  40  -7.699   3.046  -5.597
  285    HG3  ARG  40          1HG       ARG  40  -6.854   1.899  -4.561
  286    HD2  ARG  40          2HD       ARG  40  -8.395   0.746  -6.068
  287    HD3  ARG  40          1HD       ARG  40  -8.904   0.539  -4.394
  288    HE   ARG  40           HE       ARG  40 -10.159   2.783  -5.588
  289   HH11  ARG  40          1HH1      ARG  40 -10.390  -0.784  -5.469
  290   HH12  ARG  40          2HH1      ARG  40 -12.032  -0.777  -5.927
  291   HH21  ARG  40          1HH2      ARG  40 -12.419   2.688  -6.227
  292   HH22  ARG  40          2HH2      ARG  40 -13.197   1.188  -6.355
  293    H    CYS  41           HN       CYS  41  -6.289   0.913  -2.983
  294    HA   CYS  41           HA       CYS  41  -4.902   1.293  -0.499
  295    HB2  CYS  41          2HB       CYS  41  -4.637  -0.588  -2.751
  296    HB3  CYS  41          1HB       CYS  41  -3.209  -0.221  -1.780
  297    H    TRP  42           HN       TRP  42  -3.469   2.695  -0.123
  298    HA   TRP  42           HA       TRP  42  -1.868   3.765  -2.308
  299    HB2  TRP  42          2HB       TRP  42  -2.990   4.972   0.167
  300    HB3  TRP  42          1HB       TRP  42  -1.394   5.486  -0.344
  301    HD1  TRP  42          1HD       TRP  42  -1.242   7.155  -2.348
  302    HE1  TRP  42          1HE       TRP  42  -2.981   8.516  -3.651
  303    HE3  TRP  42          3HE       TRP  42  -5.480   4.743  -0.855
  304    HZ2  TRP  42          2HZ       TRP  42  -5.756   8.570  -4.009
  305    HZ3  TRP  42          3HZ       TRP  42  -7.630   5.515  -1.723
  306    HH2  TRP  42          2HH       TRP  42  -7.759   7.401  -3.280
  307    H    CYS  43           HN       CYS  43   0.183   3.236  -2.228
  308    HA   CYS  43           HA       CYS  43   1.140   1.821   0.122
  309    HB2  CYS  43          2HB       CYS  43   2.265   1.998  -2.667
  310    HB3  CYS  43          1HB       CYS  43   2.953   1.067  -1.341
  311    H    THR  44           HN       THR  44   3.018   2.371   1.096
  312    HA   THR  44           HA       THR  44   3.800   5.154   0.909
  313    HB   THR  44           HB       THR  44   4.473   2.974   2.896
  314    HG1  THR  44          1HG       THR  44   2.358   4.865   2.797
  315   HG21  THR  44          1HG2      THR  44   5.076   4.812   4.382
  316   HG22  THR  44          2HG2      THR  44   4.675   5.979   3.123
  317   HG23  THR  44          3HG2      THR  44   6.037   4.874   2.908
  318    H    LYS  45           HN       LYS  45   5.505   5.462  -0.498
  319    HA   LYS  45           HA       LYS  45   7.614   3.422  -0.520
  320    HB2  LYS  45          2HB       LYS  45   8.341   4.334  -2.694
  321    HB3  LYS  45          1HB       LYS  45   6.668   3.805  -2.752
  322    HG2  LYS  45          2HG       LYS  45   5.887   6.074  -2.674
  323    HG3  LYS  45          1HG       LYS  45   7.528   6.664  -2.398
  324    HD2  LYS  45          2HD       LYS  45   8.202   5.833  -4.593
  325    HD3  LYS  45          1HD       LYS  45   6.571   5.221  -4.872
  326    HE2  LYS  45          2HE       LYS  45   5.673   7.455  -4.818
  327    HE3  LYS  45          1HE       LYS  45   7.240   8.119  -4.366
  328    HZ1  LYS  45          1HZ       LYS  45   6.632   6.768  -6.945
  329    HZ2  LYS  45          2HZ       LYS  45   8.106   7.462  -6.514
  330    HZ3  LYS  45          3HZ       LYS  45   6.756   8.428  -6.729
  331    H    ASN  46           HN       ASN  46   9.787   4.142  -0.414
  332    HA   ASN  46           HA       ASN  46  10.131   6.378   1.340
  333    HB2  ASN  46          2HB       ASN  46  12.008   4.332   0.221
  334    HB3  ASN  46          1HB       ASN  46  12.637   5.753   1.041
  335   HD21  ASN  46          1HD2      ASN  46  12.291   5.982   3.227
  336   HD22  ASN  46          2HD2      ASN  46  11.781   4.682   4.235
  337    H    CYS  47           HN       CYS  47  10.835   8.334   0.975
  338    HA   CYS  47           HA       CYS  47  12.071   8.989  -1.575
  339    HB2  CYS  47          2HB       CYS  47   9.856  10.582  -0.244
  340    HB3  CYS  47          1HB       CYS  47  10.701  11.007  -1.724
  Start of MODEL   16
    1    H1   LYS   1          1HT       LYS   1  13.713  11.329   1.051
    2    H2   LYS   1          2HT       LYS   1  13.173  10.012   0.141
    3    H3   LYS   1          3HT       LYS   1  13.058   9.953   1.822
    4    HA   LYS   1           HA       LYS   1  11.419  11.739   1.721
    5    HB2  LYS   1          2HB       LYS   1  12.226  12.815  -0.296
    6    HB3  LYS   1          1HB       LYS   1  11.965  11.359  -1.230
    7    HG2  LYS   1          2HG       LYS   1   9.543  11.636  -0.974
    8    HG3  LYS   1          1HG       LYS   1   9.815  13.108  -0.035
    9    HD2  LYS   1          2HD       LYS   1  10.919  14.155  -1.914
   10    HD3  LYS   1          1HD       LYS   1  10.807  12.668  -2.848
   11    HE2  LYS   1          2HE       LYS   1   9.126  14.260  -3.571
   12    HE3  LYS   1          1HE       LYS   1   8.372  12.851  -2.847
   13    HZ1  LYS   1          1HZ       LYS   1   7.398  15.003  -2.204
   14    HZ2  LYS   1          2HZ       LYS   1   8.794  15.401  -1.339
   15    HZ3  LYS   1          3HZ       LYS   1   7.865  14.064  -0.909
   16    H    THR   2           HN       THR   2   9.380  10.834   2.091
   17    HA   THR   2           HA       THR   2   8.970   8.260   0.834
   18    HB   THR   2           HB       THR   2   7.167   8.125   2.689
   19    HG1  THR   2          1HG       THR   2   7.253   9.809   3.992
   20   HG21  THR   2          1HG2      THR   2   8.833   7.058   4.199
   21   HG22  THR   2          2HG2      THR   2  10.123   7.808   3.258
   22   HG23  THR   2          3HG2      THR   2   9.071   6.611   2.509
   23    H    CYS   3           HN       CYS   3   7.394   7.979  -0.504
   24    HA   CYS   3           HA       CYS   3   5.591  10.262  -0.993
   25    HB2  CYS   3          2HB       CYS   3   6.543   8.229  -3.009
   26    HB3  CYS   3          1HB       CYS   3   5.732   9.763  -3.323
   27    H    GLU   4           HN       GLU   4   3.553   9.760  -0.486
   28    HA   GLU   4           HA       GLU   4   2.715   6.975  -0.416
   29    HB2  GLU   4          2HB       GLU   4   2.165   8.653   1.404
   30    HB3  GLU   4          1HB       GLU   4   1.146   9.473   0.234
   31    HG2  GLU   4          2HG       GLU   4  -0.252   7.506   0.058
   32    HG3  GLU   4          1HG       GLU   4   0.787   6.647   1.195
   33    H    ASN   5           HN       ASN   5   1.942   6.094  -2.206
   34    HA   ASN   5           HA       ASN   5   0.544   7.804  -4.140
   35    HB2  ASN   5          2HB       ASN   5   2.897   7.477  -4.867
   36    HB3  ASN   5          1HB       ASN   5   2.659   5.737  -4.804
   37   HD21  ASN   5          1HD2      ASN   5   0.400   8.185  -6.072
   38   HD22  ASN   5          2HD2      ASN   5   0.426   7.578  -7.679
   39    H    LEU   6           HN       LEU   6  -0.993   6.676  -5.408
   40    HA   LEU   6           HA       LEU   6  -2.377   4.617  -4.160
   41    HB2  LEU   6          2HB       LEU   6  -2.556   5.897  -6.810
   42    HB3  LEU   6          1HB       LEU   6  -3.369   4.363  -6.587
   43    HG   LEU   6           HG       LEU   6  -3.855   6.834  -4.923
   44   HD11  LEU   6          1HD1      LEU   6  -5.498   5.459  -7.015
   45   HD12  LEU   6          2HD1      LEU   6  -4.670   7.008  -7.257
   46   HD13  LEU   6          3HD1      LEU   6  -5.993   6.860  -6.080
   47   HD21  LEU   6          1HD2      LEU   6  -5.751   5.535  -4.122
   48   HD22  LEU   6          2HD2      LEU   6  -4.224   4.814  -3.660
   49   HD23  LEU   6          3HD2      LEU   6  -5.160   4.127  -4.998
   50    H    ALA   7           HN       ALA   7  -2.428   2.575  -4.267
   51    HA   ALA   7           HA       ALA   7  -0.453   1.182  -5.858
   52    HB1  ALA   7          1HB       ALA   7  -0.660   0.634  -3.472
   53    HB2  ALA   7          2HB       ALA   7  -1.062  -0.757  -4.489
   54    HB3  ALA   7          3HB       ALA   7  -2.343   0.185  -3.737
   55    H    ASP   8           HN       ASP   8  -1.279   1.172  -7.903
   56    HA   ASP   8           HA       ASP   8  -3.868  -0.115  -8.266
   57    HB2  ASP   8          2HB       ASP   8  -1.991   1.163 -10.277
   58    HB3  ASP   8          1HB       ASP   8  -3.409   0.237 -10.750
   59    H    THR   9           HN       THR   9  -0.619  -0.771  -7.980
   60    HA   THR   9           HA       THR   9  -0.355  -3.123  -9.431
   61    HB   THR   9           HB       THR   9   0.876  -2.536  -6.745
   62    HG1  THR   9          1HG       THR   9   2.240  -1.611  -8.957
   63   HG21  THR   9          1HG2      THR   9   2.796  -3.651  -7.764
   64   HG22  THR   9          2HG2      THR   9   1.893  -3.811  -9.274
   65   HG23  THR   9          3HG2      THR   9   1.359  -4.674  -7.829
   66    H    TYR  10           HN       TYR  10  -1.512  -2.286  -6.187
   67    HA   TYR  10           HA       TYR  10  -2.090  -4.963  -5.455
   68    HB2  TYR  10          2HB       TYR  10  -1.674  -3.268  -3.710
   69    HB3  TYR  10          1HB       TYR  10  -3.080  -2.356  -4.249
   70    HD1  TYR  10          1HD       TYR  10  -4.885  -2.537  -2.819
   71    HD2  TYR  10          2HD       TYR  10  -2.386  -5.930  -3.347
   72    HE1  TYR  10          1HE       TYR  10  -6.307  -3.783  -1.329
   73    HE2  TYR  10          2HE       TYR  10  -3.803  -7.225  -1.840
   74    HH   TYR  10           HH       TYR  10  -5.442  -6.972  -0.120
   75    H    LYS  11           HN       LYS  11  -3.842  -6.033  -5.757
   76    HA   LYS  11           HA       LYS  11  -5.561  -5.129  -7.841
   77    HB2  LYS  11          2HB       LYS  11  -5.449  -7.741  -6.350
   78    HB3  LYS  11          1HB       LYS  11  -6.365  -7.434  -7.825
   79    HG2  LYS  11          2HG       LYS  11  -4.360  -7.029  -9.067
   80    HG3  LYS  11          1HG       LYS  11  -3.383  -7.119  -7.605
   81    HD2  LYS  11          2HD       LYS  11  -4.023  -9.477  -7.356
   82    HD3  LYS  11          1HD       LYS  11  -4.955  -9.358  -8.854
   83    HE2  LYS  11          2HE       LYS  11  -2.941  -8.813 -10.092
   84    HE3  LYS  11          1HE       LYS  11  -1.996  -8.842  -8.608
   85    HZ1  LYS  11          1HZ       LYS  11  -1.805 -10.867  -9.928
   86    HZ2  LYS  11          2HZ       LYS  11  -3.449 -11.179  -9.720
   87    HZ3  LYS  11          3HZ       LYS  11  -2.415 -11.171  -8.388
   88    H    GLY  12           HN       GLY  12  -7.022  -3.751  -7.251
   89    HA2  GLY  12          2HA       GLY  12  -9.235  -3.364  -6.668
   90    HA3  GLY  12          1HA       GLY  12  -9.160  -4.711  -5.542
   91    HA   PRO  13           HA       PRO  13  -8.739  -0.809  -3.084
   92    HB2  PRO  13          2HB       PRO  13 -11.217  -1.423  -1.780
   93    HB3  PRO  13          1HB       PRO  13 -10.878  -0.060  -2.841
   94    HG2  PRO  13          2HG       PRO  13 -12.586  -2.121  -3.459
   95    HG3  PRO  13          1HG       PRO  13 -11.758  -1.122  -4.672
   96    HD2  PRO  13          2HD       PRO  13 -11.070  -3.848  -3.648
   97    HD3  PRO  13          1HD       PRO  13 -11.001  -3.216  -5.309
   98    H    CYS  14           HN       CYS  14  -9.121  -0.676  -0.622
   99    HA   CYS  14           HA       CYS  14  -7.921  -3.039   0.542
  100    HB2  CYS  14          2HB       CYS  14  -6.771  -0.985   0.990
  101    HB3  CYS  14          1HB       CYS  14  -8.260  -0.222   1.544
  102    H    PHE  15           HN       PHE  15  -9.414  -4.459   1.110
  103    HA   PHE  15           HA       PHE  15 -11.755  -3.579   2.615
  104    HB2  PHE  15          2HB       PHE  15 -10.931  -6.347   1.686
  105    HB3  PHE  15          1HB       PHE  15 -12.439  -5.958   2.503
  106    HD1  PHE  15          1HD       PHE  15 -10.798  -6.278  -0.628
  107    HD2  PHE  15          2HD       PHE  15 -13.982  -4.268   1.353
  108    HE1  PHE  15          1HE       PHE  15 -11.852  -5.808  -2.800
  109    HE2  PHE  15          2HE       PHE  15 -15.038  -3.798  -0.812
  110    HZ   PHE  15           HZ       PHE  15 -13.973  -4.568  -2.890
  111    H    THR  16           HN       THR  16  -8.660  -5.034   2.895
  112    HA   THR  16           HA       THR  16  -8.871  -4.933   5.777
  113    HB   THR  16           HB       THR  16  -7.694  -7.235   4.238
  114    HG1  THR  16          1HG       THR  16 -10.168  -6.626   5.068
  115   HG21  THR  16          1HG2      THR  16  -7.489  -8.297   6.456
  116   HG22  THR  16          2HG2      THR  16  -8.117  -6.831   7.206
  117   HG23  THR  16          3HG2      THR  16  -6.561  -6.800   6.376
  118    H    THR  17           HN       THR  17  -7.325  -3.620   6.412
  119    HA   THR  17           HA       THR  17  -5.355  -2.485   4.875
  120    HB   THR  17           HB       THR  17  -5.262  -2.822   7.880
  121    HG1  THR  17          1HG       THR  17  -6.609  -0.863   6.302
  122   HG21  THR  17          1HG2      THR  17  -4.325  -0.600   6.055
  123   HG22  THR  17          2HG2      THR  17  -3.276  -1.789   6.819
  124   HG23  THR  17          3HG2      THR  17  -4.167  -0.633   7.811
  125    H    GLY  18           HN       GLY  18  -5.187  -5.295   6.983
  126    HA2  GLY  18          2HA       GLY  18  -2.446  -5.755   6.974
  127    HA3  GLY  18          1HA       GLY  18  -3.663  -7.007   7.151
  128    H    SER  19           HN       SER  19  -4.855  -6.727   4.599
  129    HA   SER  19           HA       SER  19  -3.083  -8.317   3.034
  130    HB2  SER  19          2HB       SER  19  -5.504  -8.676   2.963
  131    HB3  SER  19          1HB       SER  19  -5.753  -7.030   2.397
  132    HG   SER  19           HG       SER  19  -4.687  -9.250   1.044
  133    H    CYS  20           HN       CYS  20  -4.218  -5.015   2.956
  134    HA   CYS  20           HA       CYS  20  -3.111  -4.207   0.490
  135    HB2  CYS  20          2HB       CYS  20  -4.932  -3.001   1.563
  136    HB3  CYS  20          1HB       CYS  20  -3.916  -2.661   2.957
  137    H    ASP  21           HN       ASP  21  -2.033  -3.829   3.837
  138    HA   ASP  21           HA       ASP  21   0.285  -2.354   3.249
  139    HB2  ASP  21          2HB       ASP  21  -0.867  -2.246   5.388
  140    HB3  ASP  21          1HB       ASP  21  -0.487  -3.916   5.741
  141    H    ASP  22           HN       ASP  22  -0.293  -5.791   3.828
  142    HA   ASP  22           HA       ASP  22   2.365  -6.700   3.808
  143    HB2  ASP  22          2HB       ASP  22   0.485  -8.150   4.462
  144    HB3  ASP  22          1HB       ASP  22  -0.128  -8.085   2.824
  145    H    HIS  23           HN       HIS  23   0.107  -6.120   1.157
  146    HA   HIS  23           HA       HIS  23   1.672  -7.239  -0.899
  147    HB2  HIS  23          2HB       HIS  23  -0.744  -6.750  -1.183
  148    HB3  HIS  23          1HB       HIS  23  -0.400  -5.033  -1.078
  149    HD1  HIS  23          1HD       HIS  23  -0.588  -7.821  -3.522
  150    HD2  HIS  23          2HD       HIS  23   1.013  -3.983  -3.343
  151    HE1  HIS  23          1HE       HIS  23  -0.073  -7.164  -5.897
  152    H    CYS  24           HN       CYS  24   1.269  -3.842   0.041
  153    HA   CYS  24           HA       CYS  24   3.132  -2.997  -1.858
  154    HB2  CYS  24          2HB       CYS  24   2.055  -1.561   0.564
  155    HB3  CYS  24          1HB       CYS  24   3.071  -0.796  -0.662
  156    H    LYS  25           HN       LYS  25   3.620  -4.065   1.417
  157    HA   LYS  25           HA       LYS  25   6.356  -3.157   1.504
  158    HB2  LYS  25          2HB       LYS  25   4.883  -5.135   3.226
  159    HB3  LYS  25          1HB       LYS  25   6.492  -4.503   3.548
  160    HG2  LYS  25          2HG       LYS  25   5.661  -2.322   3.887
  161    HG3  LYS  25          1HG       LYS  25   4.071  -2.775   3.270
  162    HD2  LYS  25          2HD       LYS  25   3.963  -2.655   5.636
  163    HD3  LYS  25          1HD       LYS  25   3.829  -4.333   5.152
  164    HE2  LYS  25          2HE       LYS  25   6.185  -4.693   5.720
  165    HE3  LYS  25          1HE       LYS  25   6.317  -2.998   6.196
  166    HZ1  LYS  25          1HZ       LYS  25   4.540  -5.007   7.442
  167    HZ2  LYS  25          2HZ       LYS  25   4.645  -3.375   7.874
  168    HZ3  LYS  25          3HZ       LYS  25   5.969  -4.397   8.112
  169    H    ASN  26           HN       ASN  26   4.859  -6.377   1.414
  170    HA   ASN  26           HA       ASN  26   7.397  -7.651   1.089
  171    HB2  ASN  26          2HB       ASN  26   4.578  -8.675   1.229
  172    HB3  ASN  26          1HB       ASN  26   5.952  -9.736   0.934
  173   HD21  ASN  26          1HD2      ASN  26   4.003  -9.362   3.277
  174   HD22  ASN  26          2HD2      ASN  26   5.080  -9.222   4.607
  175    H    LYS  27           HN       LYS  27   4.687  -6.987  -1.032
  176    HA   LYS  27           HA       LYS  27   5.872  -8.559  -3.146
  177    HB2  LYS  27          2HB       LYS  27   3.476  -8.632  -2.943
  178    HB3  LYS  27          1HB       LYS  27   3.365  -6.886  -2.984
  179    HG2  LYS  27          2HG       LYS  27   2.614  -7.776  -5.076
  180    HG3  LYS  27          1HG       LYS  27   4.137  -6.929  -5.329
  181    HD2  LYS  27          2HD       LYS  27   5.320  -9.077  -5.306
  182    HD3  LYS  27          1HD       LYS  27   3.781  -9.907  -5.061
  183    HE2  LYS  27          2HE       LYS  27   4.394  -9.991  -7.404
  184    HE3  LYS  27          1HE       LYS  27   2.961  -8.994  -7.179
  185    HZ1  LYS  27          1HZ       LYS  27   4.419  -7.932  -8.690
  186    HZ2  LYS  27          2HZ       LYS  27   5.734  -8.063  -7.667
  187    HZ3  LYS  27          3HZ       LYS  27   4.488  -6.994  -7.285
  188    H    GLU  28           HN       GLU  28   5.133  -5.121  -2.593
  189    HA   GLU  28           HA       GLU  28   6.639  -4.562  -5.012
  190    HB2  GLU  28          2HB       GLU  28   4.728  -2.863  -3.477
  191    HB3  GLU  28          1HB       GLU  28   5.722  -2.229  -4.782
  192    HG2  GLU  28          2HG       GLU  28   3.710  -4.456  -4.987
  193    HG3  GLU  28          1HG       GLU  28   3.541  -2.819  -5.625
  194    H    HIS  29           HN       HIS  29   7.345  -4.578  -1.790
  195    HA   HIS  29           HA       HIS  29   9.196  -3.987  -0.633
  196    HB2  HIS  29          2HB       HIS  29  10.317  -3.274  -3.369
  197    HB3  HIS  29          1HB       HIS  29  11.272  -3.355  -1.891
  198    HD1  HIS  29          1HD       HIS  29   9.465  -5.579  -4.360
  199    HD2  HIS  29          2HD       HIS  29  11.958  -5.886  -1.052
  200    HE1  HIS  29          1HE       HIS  29  10.083  -7.999  -4.194
  201    H    LEU  30           HN       LEU  30   7.090  -2.192  -0.890
  202    HA   LEU  30           HA       LEU  30   8.337   0.438  -0.855
  203    HB2  LEU  30          2HB       LEU  30   5.428  -0.302  -0.504
  204    HB3  LEU  30          1HB       LEU  30   6.069   1.306  -0.759
  205    HG   LEU  30           HG       LEU  30   5.936  -0.946  -2.752
  206   HD11  LEU  30          1HD1      LEU  30   3.840   0.185  -2.436
  207   HD12  LEU  30          2HD1      LEU  30   4.517   0.587  -4.013
  208   HD13  LEU  30          3HD1      LEU  30   4.614   1.750  -2.690
  209   HD21  LEU  30          1HD2      LEU  30   6.902   0.638  -4.377
  210   HD22  LEU  30          2HD2      LEU  30   8.031   0.194  -3.101
  211   HD23  LEU  30          3HD2      LEU  30   7.230   1.764  -3.057
  212    H    ARG  31           HN       ARG  31   7.090   1.773   1.086
  213    HA   ARG  31           HA       ARG  31   8.315   0.633   3.419
  214    HB2  ARG  31          2HB       ARG  31   8.327   3.078   3.041
  215    HB3  ARG  31          1HB       ARG  31   6.575   3.100   3.211
  216    HG2  ARG  31          2HG       ARG  31   6.888   2.162   5.528
  217    HG3  ARG  31          1HG       ARG  31   8.615   2.449   5.330
  218    HD2  ARG  31          2HD       ARG  31   8.143   4.837   4.950
  219    HD3  ARG  31          1HD       ARG  31   6.429   4.524   5.218
  220    HE   ARG  31           HE       ARG  31   8.573   4.356   7.205
  221   HH11  ARG  31          1HH1      ARG  31   5.063   4.401   6.537
  222   HH12  ARG  31          2HH1      ARG  31   4.621   4.688   8.139
  223   HH21  ARG  31          1HH2      ARG  31   7.931   4.780   9.398
  224   HH22  ARG  31          2HH2      ARG  31   6.289   4.935   9.813
  225    H    SER  32           HN       SER  32   4.957   1.517   2.625
  226    HA   SER  32           HA       SER  32   3.914  -0.688   4.103
  227    HB2  SER  32          2HB       SER  32   3.482   2.137   5.117
  228    HB3  SER  32          1HB       SER  32   2.625   0.703   5.676
  229    HG   SER  32           HG       SER  32   5.200   0.192   5.774
  230    H    GLY  33           HN       GLY  33   1.469  -0.546   4.052
  231    HA2  GLY  33          2HA       GLY  33   0.568   0.992   1.712
  232    HA3  GLY  33          1HA       GLY  33   0.066  -0.671   1.970
  233    H    ARG  34           HN       ARG  34  -1.159   2.277   2.147
  234    HA   ARG  34           HA       ARG  34  -2.536   1.697   4.650
  235    HB2  ARG  34          2HB       ARG  34  -1.810   4.432   3.627
  236    HB3  ARG  34          1HB       ARG  34  -2.708   4.080   5.094
  237    HG2  ARG  34          2HG       ARG  34  -0.661   2.779   5.853
  238    HG3  ARG  34          1HG       ARG  34   0.179   3.540   4.504
  239    HD2  ARG  34          2HD       ARG  34   0.536   4.781   6.527
  240    HD3  ARG  34          1HD       ARG  34  -0.433   5.740   5.400
  241    HE   ARG  34           HE       ARG  34  -2.378   4.740   6.787
  242   HH11  ARG  34          1HH1      ARG  34   0.731   5.827   8.072
  243   HH12  ARG  34          2HH1      ARG  34   0.095   6.180   9.616
  244   HH21  ARG  34          1HH2      ARG  34  -3.214   5.191   8.886
  245   HH22  ARG  34          2HH2      ARG  34  -2.182   5.762  10.102
  246    H    CYS  35           HN       CYS  35  -4.641   1.974   4.703
  247    HA   CYS  35           HA       CYS  35  -5.985   2.267   2.132
  248    HB2  CYS  35          2HB       CYS  35  -7.206   1.551   4.793
  249    HB3  CYS  35          1HB       CYS  35  -7.779   1.139   3.179
  250    H    ARG  36           HN       ARG  36  -6.622   4.189   1.628
  251    HA   ARG  36           HA       ARG  36  -7.048   6.133   3.755
  252    HB2  ARG  36          2HB       ARG  36  -6.637   6.428   0.809
  253    HB3  ARG  36          1HB       ARG  36  -6.999   7.796   1.870
  254    HG2  ARG  36          2HG       ARG  36  -4.585   5.992   2.048
  255    HG3  ARG  36          1HG       ARG  36  -4.594   7.629   1.380
  256    HD2  ARG  36          2HD       ARG  36  -5.304   8.473   3.584
  257    HD3  ARG  36          1HD       ARG  36  -5.217   6.835   4.227
  258    HE   ARG  36           HE       ARG  36  -2.778   7.797   3.021
  259   HH11  ARG  36          1HH1      ARG  36  -4.672   7.617   6.034
  260   HH12  ARG  36          2HH1      ARG  36  -3.338   7.842   7.051
  261   HH21  ARG  36          1HH2      ARG  36  -0.959   8.081   4.426
  262   HH22  ARG  36          2HH2      ARG  36  -1.180   8.130   6.130
  263    H    ASP  37           HN       ASP  37  -8.722   7.900   2.848
  264    HA   ASP  37           HA       ASP  37 -11.237   6.993   3.535
  265    HB2  ASP  37          2HB       ASP  37 -10.595   9.376   1.799
  266    HB3  ASP  37          1HB       ASP  37 -12.123   9.083   2.605
  267    H    ASP  38           HN       ASP  38  -9.889   7.303   0.361
  268    HA   ASP  38           HA       ASP  38 -12.234   6.784  -1.187
  269    HB2  ASP  38          2HB       ASP  38  -9.331   6.371  -1.823
  270    HB3  ASP  38          1HB       ASP  38 -10.624   6.167  -2.986
  271    H    PHE  39           HN       PHE  39 -10.726   4.731   0.928
  272    HA   PHE  39           HA       PHE  39 -10.643   2.541   1.336
  273    HB2  PHE  39          2HB       PHE  39 -12.445   2.230  -1.094
  274    HB3  PHE  39          1HB       PHE  39 -11.998   0.909  -0.028
  275    HD1  PHE  39          1HD       PHE  39 -12.853   0.861   2.274
  276    HD2  PHE  39          2HD       PHE  39 -14.137   3.776  -0.527
  277    HE1  PHE  39          1HE       PHE  39 -14.804   1.355   3.697
  278    HE2  PHE  39          2HE       PHE  39 -16.095   4.283   0.886
  279    HZ   PHE  39           HZ       PHE  39 -16.426   3.070   3.001
  280    H    ARG  40           HN       ARG  40  -9.203   4.057  -0.867
  281    HA   ARG  40           HA       ARG  40  -8.059   1.873  -2.376
  282    HB2  ARG  40          2HB       ARG  40  -7.895   4.842  -2.633
  283    HB3  ARG  40          1HB       ARG  40  -6.705   3.801  -3.406
  284    HG2  ARG  40          2HG       ARG  40  -8.442   2.618  -4.495
  285    HG3  ARG  40          1HG       ARG  40  -9.672   3.704  -3.821
  286    HD2  ARG  40          2HD       ARG  40  -7.373   4.586  -5.567
  287    HD3  ARG  40          1HD       ARG  40  -8.968   4.193  -6.191
  288    HE   ARG  40           HE       ARG  40  -9.199   6.122  -4.171
  289   HH11  ARG  40          1HH1      ARG  40  -8.005   5.795  -7.498
  290   HH12  ARG  40          2HH1      ARG  40  -8.426   7.362  -7.963
  291   HH21  ARG  40          1HH2      ARG  40  -9.824   8.317  -4.829
  292   HH22  ARG  40          2HH2      ARG  40  -9.478   8.809  -6.422
  293    H    CYS  41           HN       CYS  41  -5.953   1.367  -2.434
  294    HA   CYS  41           HA       CYS  41  -4.581   1.800   0.023
  295    HB2  CYS  41          2HB       CYS  41  -4.061   0.078  -2.373
  296    HB3  CYS  41          1HB       CYS  41  -2.873   0.262  -1.093
  297    H    TRP  42           HN       TRP  42  -3.550   3.522   0.289
  298    HA   TRP  42           HA       TRP  42  -1.940   4.644  -1.861
  299    HB2  TRP  42          2HB       TRP  42  -3.512   5.755   0.311
  300    HB3  TRP  42          1HB       TRP  42  -1.849   6.315   0.393
  301    HD1  TRP  42          1HD       TRP  42  -0.971   7.758  -1.757
  302    HE1  TRP  42          1HE       TRP  42  -2.227   9.257  -3.368
  303    HE3  TRP  42          3HE       TRP  42  -5.754   6.019  -0.960
  304    HZ2  TRP  42          2HZ       TRP  42  -4.884   9.710  -4.195
  305    HZ3  TRP  42          3HZ       TRP  42  -7.570   7.089  -2.204
  306    HH2  TRP  42          2HH       TRP  42  -7.144   8.877  -3.794
  307    H    CYS  43           HN       CYS  43  -0.055   3.737  -1.791
  308    HA   CYS  43           HA       CYS  43   0.969   2.788   0.766
  309    HB2  CYS  43          2HB       CYS  43   1.611   1.896  -2.043
  310    HB3  CYS  43          1HB       CYS  43   2.345   1.252  -0.574
  311    H    THR  44           HN       THR  44   2.891   3.373   1.447
  312    HA   THR  44           HA       THR  44   4.055   5.718   0.243
  313    HB   THR  44           HB       THR  44   4.806   4.237   2.757
  314    HG1  THR  44          1HG       THR  44   3.290   6.626   2.617
  315   HG21  THR  44          1HG2      THR  44   5.853   6.370   3.372
  316   HG22  THR  44          2HG2      THR  44   5.381   7.048   1.811
  317   HG23  THR  44          3HG2      THR  44   6.544   5.728   1.885
  318    H    LYS  45           HN       LYS  45   5.658   5.604  -1.097
  319    HA   LYS  45           HA       LYS  45   7.374   3.235  -1.095
  320    HB2  LYS  45          2HB       LYS  45   7.931   3.852  -3.422
  321    HB3  LYS  45          1HB       LYS  45   6.207   3.592  -3.219
  322    HG2  LYS  45          2HG       LYS  45   5.836   5.992  -3.187
  323    HG3  LYS  45          1HG       LYS  45   7.573   6.268  -3.331
  324    HD2  LYS  45          2HD       LYS  45   7.568   5.117  -5.492
  325    HD3  LYS  45          1HD       LYS  45   5.827   4.866  -5.353
  326    HE2  LYS  45          2HE       LYS  45   5.457   7.262  -5.349
  327    HE3  LYS  45          1HE       LYS  45   7.194   7.552  -5.384
  328    HZ1  LYS  45          1HZ       LYS  45   5.599   6.264  -7.547
  329    HZ2  LYS  45          2HZ       LYS  45   7.264   6.457  -7.551
  330    HZ3  LYS  45          3HZ       LYS  45   6.264   7.819  -7.553
  331    H    ASN  46           HN       ASN  46   9.582   3.548  -1.123
  332    HA   ASN  46           HA       ASN  46  10.405   6.010   0.132
  333    HB2  ASN  46          2HB       ASN  46  11.967   3.480  -0.451
  334    HB3  ASN  46          1HB       ASN  46  12.616   4.877   0.396
  335   HD21  ASN  46          1HD2      ASN  46  10.622   2.093   0.586
  336   HD22  ASN  46          2HD2      ASN  46  10.340   2.112   2.287
  337    H    CYS  47           HN       CYS  47  11.067   7.628  -0.957
  338    HA   CYS  47           HA       CYS  47  12.057   7.292  -3.674
  339    HB2  CYS  47          2HB       CYS  47  10.855   9.708  -2.282
  340    HB3  CYS  47          1HB       CYS  47  11.320   9.619  -3.982
  Start of MODEL   17
    1    H1   LYS   1          1HT       LYS   1  13.862  11.581  -0.328
    2    H2   LYS   1          2HT       LYS   1  12.862  10.590  -1.291
    3    H3   LYS   1          3HT       LYS   1  13.581   9.961   0.111
    4    HA   LYS   1           HA       LYS   1  12.254  11.458   1.445
    5    HB2  LYS   1          2HB       LYS   1  12.016  13.197  -0.373
    6    HB3  LYS   1          1HB       LYS   1  10.986  12.087  -1.242
    7    HG2  LYS   1          2HG       LYS   1   9.609  13.722  -0.160
    8    HG3  LYS   1          1HG       LYS   1   9.364  12.169   0.631
    9    HD2  LYS   1          2HD       LYS   1   9.506  13.893   2.315
   10    HD3  LYS   1          1HD       LYS   1  10.947  12.885   2.419
   11    HE2  LYS   1          2HE       LYS   1  11.497  15.261   2.625
   12    HE3  LYS   1          1HE       LYS   1  12.217  14.574   1.175
   13    HZ1  LYS   1          1HZ       LYS   1  11.225  16.721   0.733
   14    HZ2  LYS   1          2HZ       LYS   1   9.720  16.180   1.261
   15    HZ3  LYS   1          3HZ       LYS   1  10.404  15.538  -0.123
   16    H    THR   2           HN       THR   2  10.296  10.481   2.226
   17    HA   THR   2           HA       THR   2   9.381   8.261   0.609
   18    HB   THR   2           HB       THR   2   8.063   7.820   2.830
   19    HG1  THR   2          1HG       THR   2  10.326   9.088   3.947
   20   HG21  THR   2          1HG2      THR   2  11.035   7.387   2.623
   21   HG22  THR   2          2HG2      THR   2   9.796   6.353   1.913
   22   HG23  THR   2          3HG2      THR   2   9.944   6.478   3.671
   23    H    CYS   3           HN       CYS   3   7.395   8.237  -0.210
   24    HA   CYS   3           HA       CYS   3   5.545  10.341   0.542
   25    HB2  CYS   3          2HB       CYS   3   5.155  10.743  -1.945
   26    HB3  CYS   3          1HB       CYS   3   6.664  11.370  -1.288
   27    H    GLU   4           HN       GLU   4   3.391   9.810   0.072
   28    HA   GLU   4           HA       GLU   4   3.010   6.948  -0.252
   29    HB2  GLU   4          2HB       GLU   4   2.087   8.119   1.758
   30    HB3  GLU   4          1HB       GLU   4   1.076   9.070   0.679
   31    HG2  GLU   4          2HG       GLU   4  -0.073   7.139  -0.043
   32    HG3  GLU   4          1HG       GLU   4   0.976   6.080   0.903
   33    H    ASN   5           HN       ASN   5   1.964   6.120  -1.965
   34    HA   ASN   5           HA       ASN   5   0.368   7.783  -3.682
   35    HB2  ASN   5          2HB       ASN   5   2.597   8.276  -4.574
   36    HB3  ASN   5          1HB       ASN   5   2.959   6.563  -4.692
   37   HD21  ASN   5          1HD2      ASN   5   1.019   9.162  -5.987
   38   HD22  ASN   5          2HD2      ASN   5   0.671   8.413  -7.504
   39    H    LEU   6           HN       LEU   6  -0.802   6.565  -5.225
   40    HA   LEU   6           HA       LEU   6  -1.957   4.286  -4.209
   41    HB2  LEU   6          2HB       LEU   6  -2.033   5.569  -6.887
   42    HB3  LEU   6          1HB       LEU   6  -2.889   4.072  -6.581
   43    HG   LEU   6           HG       LEU   6  -3.334   6.575  -4.956
   44   HD11  LEU   6          1HD1      LEU   6  -3.947   6.946  -7.303
   45   HD12  LEU   6          2HD1      LEU   6  -5.361   6.804  -6.237
   46   HD13  LEU   6          3HD1      LEU   6  -4.884   5.443  -7.258
   47   HD21  LEU   6          1HD2      LEU   6  -5.371   5.410  -4.332
   48   HD22  LEU   6          2HD2      LEU   6  -3.943   4.499  -3.863
   49   HD23  LEU   6          3HD2      LEU   6  -4.871   4.015  -5.284
   50    H    ALA   7           HN       ALA   7  -1.941   2.238  -4.595
   51    HA   ALA   7           HA       ALA   7   0.393   1.054  -5.812
   52    HB1  ALA   7          1HB       ALA   7  -0.426   0.191  -3.695
   53    HB2  ALA   7          2HB       ALA   7  -0.567  -1.042  -4.956
   54    HB3  ALA   7          3HB       ALA   7  -1.993  -0.137  -4.430
   55    H    ASP   8           HN       ASP   8   0.320   0.839  -7.934
   56    HA   ASP   8           HA       ASP   8  -2.085   0.801  -9.469
   57    HB2  ASP   8          2HB       ASP   8  -0.029   1.658 -10.448
   58    HB3  ASP   8          1HB       ASP   8   0.749   0.090 -10.247
   59    H    THR   9           HN       THR   9   0.166  -1.615  -8.344
   60    HA   THR   9           HA       THR   9  -0.806  -3.786  -9.815
   61    HB   THR   9           HB       THR   9   0.703  -3.807  -7.210
   62    HG1  THR   9          1HG       THR   9   2.289  -2.892  -8.233
   63   HG21  THR   9          1HG2      THR   9   1.737  -5.781  -8.167
   64   HG22  THR   9          2HG2      THR   9   0.824  -5.547  -9.657
   65   HG23  THR   9          3HG2      THR   9  -0.022  -5.984  -8.165
   66    H    TYR  10           HN       TYR  10  -1.867  -2.262  -6.876
   67    HA   TYR  10           HA       TYR  10  -3.201  -4.560  -5.814
   68    HB2  TYR  10          2HB       TYR  10  -2.350  -2.617  -4.434
   69    HB3  TYR  10          1HB       TYR  10  -3.653  -1.655  -5.117
   70    HD1  TYR  10          1HD       TYR  10  -6.016  -2.113  -4.463
   71    HD2  TYR  10          2HD       TYR  10  -2.759  -4.267  -2.765
   72    HE1  TYR  10          1HE       TYR  10  -7.472  -2.894  -2.668
   73    HE2  TYR  10          2HE       TYR  10  -4.212  -5.053  -0.969
   74    HH   TYR  10           HH       TYR  10  -6.314  -4.247   0.143
   75    H    LYS  11           HN       LYS  11  -4.814  -5.344  -6.920
   76    HA   LYS  11           HA       LYS  11  -6.544  -3.554  -8.401
   77    HB2  LYS  11          2HB       LYS  11  -7.444  -5.601  -9.460
   78    HB3  LYS  11          1HB       LYS  11  -5.712  -5.409  -9.669
   79    HG2  LYS  11          2HG       LYS  11  -5.293  -7.102  -7.986
   80    HG3  LYS  11          1HG       LYS  11  -7.025  -7.245  -7.673
   81    HD2  LYS  11          2HD       LYS  11  -7.369  -7.969  -9.997
   82    HD3  LYS  11          1HD       LYS  11  -5.631  -7.855 -10.281
   83    HE2  LYS  11          2HE       LYS  11  -5.248  -9.564  -8.567
   84    HE3  LYS  11          1HE       LYS  11  -6.980  -9.659  -8.282
   85    HZ1  LYS  11          1HZ       LYS  11  -5.659 -10.288 -10.854
   86    HZ2  LYS  11          2HZ       LYS  11  -7.298 -10.425 -10.530
   87    HZ3  LYS  11          3HZ       LYS  11  -6.197 -11.430  -9.732
   88    H    GLY  12           HN       GLY  12  -8.275  -2.806  -7.488
   89    HA2  GLY  12          2HA       GLY  12 -10.531  -3.342  -6.795
   90    HA3  GLY  12          1HA       GLY  12  -9.855  -4.620  -5.796
   91    HA   PRO  13           HA       PRO  13 -10.221  -0.950  -3.046
   92    HB2  PRO  13          2HB       PRO  13 -12.300  -1.858  -1.530
   93    HB3  PRO  13          1HB       PRO  13 -12.516  -0.836  -2.949
   94    HG2  PRO  13          2HG       PRO  13 -13.213  -3.630  -2.573
   95    HG3  PRO  13          1HG       PRO  13 -13.625  -2.562  -3.918
   96    HD2  PRO  13          2HD       PRO  13 -11.550  -4.602  -3.758
   97    HD3  PRO  13          1HD       PRO  13 -12.134  -3.711  -5.177
   98    H    CYS  14           HN       CYS  14  -9.925  -0.899  -0.750
   99    HA   CYS  14           HA       CYS  14  -8.468  -3.159   0.254
  100    HB2  CYS  14          2HB       CYS  14  -7.545  -0.983   0.672
  101    HB3  CYS  14          1HB       CYS  14  -9.046  -0.428   1.409
  102    H    PHE  15           HN       PHE  15  -9.466  -4.758   1.185
  103    HA   PHE  15           HA       PHE  15 -11.984  -4.323   2.589
  104    HB2  PHE  15          2HB       PHE  15 -10.525  -6.887   1.911
  105    HB3  PHE  15          1HB       PHE  15 -12.097  -6.792   2.692
  106    HD1  PHE  15          1HD       PHE  15 -10.291  -6.699  -0.428
  107    HD2  PHE  15          2HD       PHE  15 -14.024  -5.881   1.436
  108    HE1  PHE  15          1HE       PHE  15 -11.373  -6.681  -2.618
  109    HE2  PHE  15          2HE       PHE  15 -15.113  -5.863  -0.742
  110    HZ   PHE  15           HZ       PHE  15 -13.788  -6.267  -2.794
  111    H    THR  16           HN       THR  16  -8.642  -5.193   3.056
  112    HA   THR  16           HA       THR  16  -8.967  -4.985   5.953
  113    HB   THR  16           HB       THR  16  -7.294  -7.134   4.618
  114    HG1  THR  16          1HG       THR  16  -9.442  -7.617   4.245
  115   HG21  THR  16          1HG2      THR  16  -6.567  -6.473   6.856
  116   HG22  THR  16          2HG2      THR  16  -7.257  -8.096   6.893
  117   HG23  THR  16          3HG2      THR  16  -8.198  -6.724   7.475
  118    H    THR  17           HN       THR  17  -7.510  -3.492   6.650
  119    HA   THR  17           HA       THR  17  -5.726  -2.190   4.987
  120    HB   THR  17           HB       THR  17  -5.633  -2.272   8.024
  121    HG1  THR  17          1HG       THR  17  -7.632  -1.591   7.699
  122   HG21  THR  17          1HG2      THR  17  -3.715  -1.131   6.958
  123   HG22  THR  17          2HG2      THR  17  -4.759   0.028   7.786
  124   HG23  THR  17          3HG2      THR  17  -4.831  -0.129   6.031
  125    H    GLY  18           HN       GLY  18  -5.130  -4.801   7.335
  126    HA2  GLY  18          2HA       GLY  18  -2.328  -4.862   7.134
  127    HA3  GLY  18          1HA       GLY  18  -3.341  -6.208   7.629
  128    H    SER  19           HN       SER  19  -4.793  -6.305   5.109
  129    HA   SER  19           HA       SER  19  -3.028  -8.002   3.645
  130    HB2  SER  19          2HB       SER  19  -5.492  -8.405   3.856
  131    HB3  SER  19          1HB       SER  19  -5.782  -6.962   2.891
  132    HG   SER  19           HG       SER  19  -5.463  -9.388   2.057
  133    H    CYS  20           HN       CYS  20  -4.163  -4.735   3.378
  134    HA   CYS  20           HA       CYS  20  -3.150  -4.158   0.779
  135    HB2  CYS  20          2HB       CYS  20  -4.932  -2.849   1.810
  136    HB3  CYS  20          1HB       CYS  20  -3.856  -2.386   3.118
  137    H    ASP  21           HN       ASP  21  -2.052  -3.569   4.094
  138    HA   ASP  21           HA       ASP  21   0.392  -2.351   3.618
  139    HB2  ASP  21          2HB       ASP  21  -0.653  -2.524   5.830
  140    HB3  ASP  21          1HB       ASP  21  -0.400  -4.262   5.826
  141    H    ASP  22           HN       ASP  22  -0.484  -5.706   3.787
  142    HA   ASP  22           HA       ASP  22   1.976  -6.996   3.533
  143    HB2  ASP  22          2HB       ASP  22  -0.066  -8.184   4.049
  144    HB3  ASP  22          1HB       ASP  22  -0.757  -7.708   2.509
  145    H    HIS  23           HN       HIS  23  -0.287  -5.911   1.029
  146    HA   HIS  23           HA       HIS  23   1.120  -6.908  -1.187
  147    HB2  HIS  23          2HB       HIS  23  -1.264  -6.282  -1.278
  148    HB3  HIS  23          1HB       HIS  23  -0.835  -4.598  -1.031
  149    HD1  HIS  23          1HD       HIS  23  -1.069  -7.221  -3.679
  150    HD2  HIS  23          2HD       HIS  23   0.309  -3.323  -3.276
  151    HE1  HIS  23          1HE       HIS  23  -0.757  -6.355  -6.009
  152    H    CYS  24           HN       CYS  24   1.035  -3.666   0.208
  153    HA   CYS  24           HA       CYS  24   2.793  -2.553  -1.648
  154    HB2  CYS  24          2HB       CYS  24   2.268  -1.652   1.176
  155    HB3  CYS  24          1HB       CYS  24   3.026  -0.690  -0.085
  156    H    LYS  25           HN       LYS  25   3.430  -4.158   1.445
  157    HA   LYS  25           HA       LYS  25   6.196  -3.385   1.438
  158    HB2  LYS  25          2HB       LYS  25   4.799  -5.466   3.109
  159    HB3  LYS  25          1HB       LYS  25   6.430  -4.874   3.380
  160    HG2  LYS  25          2HG       LYS  25   5.530  -2.622   3.755
  161    HG3  LYS  25          1HG       LYS  25   3.904  -3.251   3.513
  162    HD2  LYS  25          2HD       LYS  25   4.067  -3.233   5.816
  163    HD3  LYS  25          1HD       LYS  25   4.531  -4.882   5.427
  164    HE2  LYS  25          2HE       LYS  25   6.456  -2.619   5.954
  165    HE3  LYS  25          1HE       LYS  25   5.949  -3.794   7.152
  166    HZ1  LYS  25          1HZ       LYS  25   7.535  -4.363   4.690
  167    HZ2  LYS  25          2HZ       LYS  25   6.994  -5.530   5.785
  168    HZ3  LYS  25          3HZ       LYS  25   8.072  -4.361   6.283
  169    H    ASN  26           HN       ASN  26   4.467  -6.368   0.675
  170    HA   ASN  26           HA       ASN  26   6.996  -7.701   0.201
  171    HB2  ASN  26          2HB       ASN  26   4.176  -8.767  -0.022
  172    HB3  ASN  26          1HB       ASN  26   5.633  -9.728  -0.249
  173   HD21  ASN  26          1HD2      ASN  26   3.567  -8.171   2.022
  174   HD22  ASN  26          2HD2      ASN  26   4.294  -8.792   3.452
  175    H    LYS  27           HN       LYS  27   4.061  -7.178  -1.704
  176    HA   LYS  27           HA       LYS  27   5.283  -8.095  -4.093
  177    HB2  LYS  27          2HB       LYS  27   2.925  -8.401  -3.823
  178    HB3  LYS  27          1HB       LYS  27   2.673  -6.691  -3.539
  179    HG2  LYS  27          2HG       LYS  27   1.919  -7.305  -5.758
  180    HG3  LYS  27          1HG       LYS  27   3.287  -6.199  -5.848
  181    HD2  LYS  27          2HD       LYS  27   4.757  -8.234  -6.149
  182    HD3  LYS  27          1HD       LYS  27   3.272  -9.171  -6.343
  183    HE2  LYS  27          2HE       LYS  27   4.124  -8.552  -8.510
  184    HE3  LYS  27          1HE       LYS  27   2.620  -7.689  -8.200
  185    HZ1  LYS  27          1HZ       LYS  27   5.352  -6.572  -7.896
  186    HZ2  LYS  27          2HZ       LYS  27   3.949  -5.700  -7.589
  187    HZ3  LYS  27          3HZ       LYS  27   4.309  -6.216  -9.152
  188    H    GLU  28           HN       GLU  28   4.397  -4.891  -2.907
  189    HA   GLU  28           HA       GLU  28   5.572  -3.767  -5.287
  190    HB2  GLU  28          2HB       GLU  28   4.171  -2.377  -3.028
  191    HB3  GLU  28          1HB       GLU  28   4.768  -1.589  -4.480
  192    HG2  GLU  28          2HG       GLU  28   2.687  -3.762  -4.402
  193    HG3  GLU  28          1HG       GLU  28   2.387  -2.044  -4.665
  194    H    HIS  29           HN       HIS  29   6.759  -4.607  -2.337
  195    HA   HIS  29           HA       HIS  29   8.799  -4.350  -1.339
  196    HB2  HIS  29          2HB       HIS  29   9.495  -3.219  -4.059
  197    HB3  HIS  29          1HB       HIS  29  10.685  -3.463  -2.791
  198    HD1  HIS  29          1HD       HIS  29  11.860  -5.649  -2.916
  199    HD2  HIS  29          2HD       HIS  29   8.150  -5.781  -4.777
  200    HE1  HIS  29          1HE       HIS  29  11.688  -7.937  -3.971
  201    H    LEU  30           HN       LEU  30   6.818  -2.247  -1.082
  202    HA   LEU  30           HA       LEU  30   8.480   0.141  -0.770
  203    HB2  LEU  30          2HB       LEU  30   5.474  -0.153  -0.755
  204    HB3  LEU  30          1HB       LEU  30   6.361   1.359  -0.692
  205    HG   LEU  30           HG       LEU  30   6.315  -0.568  -3.011
  206   HD11  LEU  30          1HD1      LEU  30   4.238   0.556  -2.854
  207   HD12  LEU  30          2HD1      LEU  30   5.153   1.267  -4.186
  208   HD13  LEU  30          3HD1      LEU  30   5.027   2.110  -2.639
  209   HD21  LEU  30          1HD2      LEU  30   8.466   0.531  -2.875
  210   HD22  LEU  30          2HD2      LEU  30   7.683   2.105  -2.739
  211   HD23  LEU  30          3HD2      LEU  30   7.543   1.177  -4.230
  212    H    ARG  31           HN       ARG  31   7.435   1.508   1.202
  213    HA   ARG  31           HA       ARG  31   8.352   0.056   3.442
  214    HB2  ARG  31          2HB       ARG  31   8.758   2.415   3.417
  215    HB3  ARG  31          1HB       ARG  31   7.038   2.764   3.274
  216    HG2  ARG  31          2HG       ARG  31   6.703   1.702   5.499
  217    HG3  ARG  31          1HG       ARG  31   8.451   1.565   5.641
  218    HD2  ARG  31          2HD       ARG  31   8.720   3.892   5.731
  219    HD3  ARG  31          1HD       ARG  31   7.080   4.182   5.140
  220    HE   ARG  31           HE       ARG  31   7.114   2.675   7.543
  221   HH11  ARG  31          1HH1      ARG  31   7.548   6.024   6.436
  222   HH12  ARG  31          2HH1      ARG  31   6.733   6.688   7.750
  223   HH21  ARG  31          1HH2      ARG  31   5.930   3.651   9.322
  224   HH22  ARG  31          2HH2      ARG  31   5.815   5.350   9.399
  225    H    SER  32           HN       SER  32   5.072   1.341   2.776
  226    HA   SER  32           HA       SER  32   3.930  -0.864   4.234
  227    HB2  SER  32          2HB       SER  32   3.671   1.976   5.265
  228    HB3  SER  32          1HB       SER  32   2.727   0.603   5.841
  229    HG   SER  32           HG       SER  32   5.361   0.033   5.844
  230    H    GLY  33           HN       GLY  33   1.516  -0.687   4.213
  231    HA2  GLY  33          2HA       GLY  33   0.605   0.892   1.908
  232    HA3  GLY  33          1HA       GLY  33   0.103  -0.775   2.160
  233    H    ARG  34           HN       ARG  34  -1.030   2.188   2.349
  234    HA   ARG  34           HA       ARG  34  -2.579   1.569   4.729
  235    HB2  ARG  34          2HB       ARG  34  -1.443   4.250   3.933
  236    HB3  ARG  34          1HB       ARG  34  -2.694   4.059   5.155
  237    HG2  ARG  34          2HG       ARG  34  -1.188   2.638   6.468
  238    HG3  ARG  34          1HG       ARG  34   0.062   2.840   5.246
  239    HD2  ARG  34          2HD       ARG  34  -1.168   5.072   6.860
  240    HD3  ARG  34          1HD       ARG  34   0.364   4.285   7.224
  241    HE   ARG  34           HE       ARG  34  -0.034   5.650   4.648
  242   HH11  ARG  34          1HH1      ARG  34   1.795   5.383   7.690
  243   HH12  ARG  34          2HH1      ARG  34   2.924   6.577   7.228
  244   HH21  ARG  34          1HH2      ARG  34   1.425   7.186   4.099
  245   HH22  ARG  34          2HH2      ARG  34   2.744   7.642   5.127
  246    H    CYS  35           HN       CYS  35  -4.621   1.519   4.461
  247    HA   CYS  35           HA       CYS  35  -5.821   2.169   1.908
  248    HB2  CYS  35          2HB       CYS  35  -7.143   1.237   4.471
  249    HB3  CYS  35          1HB       CYS  35  -7.793   1.130   2.836
  250    H    ARG  36           HN       ARG  36  -6.779   3.993   1.491
  251    HA   ARG  36           HA       ARG  36  -7.084   5.813   3.736
  252    HB2  ARG  36          2HB       ARG  36  -6.745   6.349   0.809
  253    HB3  ARG  36          1HB       ARG  36  -7.068   7.622   2.003
  254    HG2  ARG  36          2HG       ARG  36  -4.647   5.828   1.847
  255    HG3  ARG  36          1HG       ARG  36  -4.710   7.552   1.476
  256    HD2  ARG  36          2HD       ARG  36  -5.376   7.971   3.835
  257    HD3  ARG  36          1HD       ARG  36  -5.167   6.255   4.156
  258    HE   ARG  36           HE       ARG  36  -2.804   7.209   3.029
  259   HH11  ARG  36          1HH1      ARG  36  -4.653   7.532   6.034
  260   HH12  ARG  36          2HH1      ARG  36  -3.314   8.013   6.957
  261   HH21  ARG  36          1HH2      ARG  36  -0.998   7.737   4.306
  262   HH22  ARG  36          2HH2      ARG  36  -1.161   8.154   5.953
  263    H    ASP  37           HN       ASP  37  -8.861   7.603   2.969
  264    HA   ASP  37           HA       ASP  37 -11.264   6.306   3.620
  265    HB2  ASP  37          2HB       ASP  37 -10.825   9.120   2.615
  266    HB3  ASP  37          1HB       ASP  37 -12.340   8.517   3.271
  267    H    ASP  38           HN       ASP  38  -9.903   6.979   0.585
  268    HA   ASP  38           HA       ASP  38 -12.384   6.673  -0.884
  269    HB2  ASP  38          2HB       ASP  38  -9.529   6.756  -1.877
  270    HB3  ASP  38          1HB       ASP  38 -10.938   6.652  -2.925
  271    H    PHE  39           HN       PHE  39 -10.621   4.577   0.767
  272    HA   PHE  39           HA       PHE  39 -10.536   2.388   1.008
  273    HB2  PHE  39          2HB       PHE  39 -12.699   2.345  -1.091
  274    HB3  PHE  39          1HB       PHE  39 -12.130   0.896  -0.272
  275    HD1  PHE  39          1HD       PHE  39 -12.386   0.744   2.226
  276    HD2  PHE  39          2HD       PHE  39 -14.264   3.770  -0.093
  277    HE1  PHE  39          1HE       PHE  39 -13.959   1.168   4.067
  278    HE2  PHE  39          2HE       PHE  39 -15.843   4.205   1.742
  279    HZ   PHE  39           HZ       PHE  39 -15.695   2.904   3.825
  280    H    ARG  40           HN       ARG  40  -9.202   3.804  -1.444
  281    HA   ARG  40           HA       ARG  40  -8.317   1.352  -2.762
  282    HB2  ARG  40          2HB       ARG  40  -8.922   3.564  -3.995
  283    HB3  ARG  40          1HB       ARG  40  -7.375   4.149  -3.409
  284    HG2  ARG  40          2HG       ARG  40  -7.073   3.389  -5.646
  285    HG3  ARG  40          1HG       ARG  40  -6.284   2.229  -4.576
  286    HD2  ARG  40          2HD       ARG  40  -7.509   1.048  -6.304
  287    HD3  ARG  40          1HD       ARG  40  -8.285   0.765  -4.751
  288    HE   ARG  40           HE       ARG  40  -9.552   2.945  -5.873
  289   HH11  ARG  40          1HH1      ARG  40  -9.127  -0.470  -6.676
  290   HH12  ARG  40          2HH1      ARG  40 -10.554  -0.575  -7.592
  291   HH21  ARG  40          1HH2      ARG  40 -11.513   2.782  -7.146
  292   HH22  ARG  40          2HH2      ARG  40 -11.936   1.288  -7.847
  293    H    CYS  41           HN       CYS  41  -5.865   1.101  -2.992
  294    HA   CYS  41           HA       CYS  41  -4.726   1.634  -0.403
  295    HB2  CYS  41          2HB       CYS  41  -4.132  -0.368  -2.507
  296    HB3  CYS  41          1HB       CYS  41  -2.921   0.025  -1.288
  297    H    TRP  42           HN       TRP  42  -3.296   2.964   0.039
  298    HA   TRP  42           HA       TRP  42  -1.670   4.186  -2.047
  299    HB2  TRP  42          2HB       TRP  42  -3.011   5.134   0.409
  300    HB3  TRP  42          1HB       TRP  42  -1.411   5.776   0.114
  301    HD1  TRP  42          1HD       TRP  42  -1.159   7.541  -1.817
  302    HE1  TRP  42          1HE       TRP  42  -2.841   8.932  -3.153
  303    HE3  TRP  42          3HE       TRP  42  -5.427   4.952  -0.726
  304    HZ2  TRP  42          2HZ       TRP  42  -5.611   8.954  -3.679
  305    HZ3  TRP  42          3HZ       TRP  42  -7.552   5.734  -1.681
  306    HH2  TRP  42          2HH       TRP  42  -7.638   7.693  -3.135
  307    H    CYS  43           HN       CYS  43   0.408   3.555  -1.956
  308    HA   CYS  43           HA       CYS  43   1.330   2.215   0.481
  309    HB2  CYS  43          2HB       CYS  43   2.534   2.158  -2.278
  310    HB3  CYS  43          1HB       CYS  43   2.993   1.160  -0.912
  311    H    THR  44           HN       THR  44   3.130   2.944   1.496
  312    HA   THR  44           HA       THR  44   4.087   5.586   0.839
  313    HB   THR  44           HB       THR  44   5.099   3.707   2.985
  314    HG1  THR  44          1HG       THR  44   2.697   5.118   2.735
  315   HG21  THR  44          1HG2      THR  44   6.410   5.768   2.595
  316   HG22  THR  44          2HG2      THR  44   5.598   5.815   4.161
  317   HG23  THR  44          3HG2      THR  44   4.947   6.731   2.803
  318    H    LYS  45           HN       LYS  45   5.564   5.734  -0.745
  319    HA   LYS  45           HA       LYS  45   7.479   3.547  -1.120
  320    HB2  LYS  45          2HB       LYS  45   7.657   4.323  -3.454
  321    HB3  LYS  45          1HB       LYS  45   6.046   3.770  -3.033
  322    HG2  LYS  45          2HG       LYS  45   5.254   6.052  -2.896
  323    HG3  LYS  45          1HG       LYS  45   6.887   6.663  -3.164
  324    HD2  LYS  45          2HD       LYS  45   5.550   6.767  -5.220
  325    HD3  LYS  45          1HD       LYS  45   6.911   5.658  -5.386
  326    HE2  LYS  45          2HE       LYS  45   5.407   3.767  -4.960
  327    HE3  LYS  45          1HE       LYS  45   4.049   4.870  -4.817
  328    HZ1  LYS  45          1HZ       LYS  45   4.441   5.515  -7.158
  329    HZ2  LYS  45          2HZ       LYS  45   4.104   3.874  -6.949
  330    HZ3  LYS  45          3HZ       LYS  45   5.686   4.353  -7.238
  331    H    ASN  46           HN       ASN  46   9.513   4.345  -2.237
  332    HA   ASN  46           HA       ASN  46  10.435   6.724  -0.822
  333    HB2  ASN  46          2HB       ASN  46  12.065   4.546  -2.187
  334    HB3  ASN  46          1HB       ASN  46  12.715   5.915  -1.304
  335   HD21  ASN  46          1HD2      ASN  46  11.159   2.856  -1.070
  336   HD22  ASN  46          2HD2      ASN  46  11.344   2.618   0.629
  337    H    CYS  47           HN       CYS  47  10.870   8.473  -1.922
  338    HA   CYS  47           HA       CYS  47  11.255   8.285  -4.772
  339    HB2  CYS  47          2HB       CYS  47   9.966  10.543  -4.858
  340    HB3  CYS  47          1HB       CYS  47   9.030   9.063  -4.709
  Start of MODEL   18
    1    H1   LYS   1          1HT       LYS   1  13.016  12.395   1.796
    2    H2   LYS   1          2HT       LYS   1  12.200  11.180   2.605
    3    H3   LYS   1          3HT       LYS   1  11.368  12.233   1.565
    4    HA   LYS   1           HA       LYS   1  12.470  11.435  -0.327
    5    HB2  LYS   1          2HB       LYS   1  14.027   9.547  -0.229
    6    HB3  LYS   1          1HB       LYS   1  14.640  10.931   0.659
    7    HG2  LYS   1          2HG       LYS   1  13.956   9.877   2.765
    8    HG3  LYS   1          1HG       LYS   1  13.330   8.495   1.866
    9    HD2  LYS   1          2HD       LYS   1  15.521   7.976   2.763
   10    HD3  LYS   1          1HD       LYS   1  15.600   8.063   1.006
   11    HE2  LYS   1          2HE       LYS   1  16.527  10.316   1.137
   12    HE3  LYS   1          1HE       LYS   1  16.397  10.281   2.895
   13    HZ1  LYS   1          1HZ       LYS   1  18.623   9.817   2.176
   14    HZ2  LYS   1          2HZ       LYS   1  18.113   8.525   1.227
   15    HZ3  LYS   1          3HZ       LYS   1  17.976   8.446   2.913
   16    H    THR   2           HN       THR   2  10.185  10.713   1.569
   17    HA   THR   2           HA       THR   2   9.498   8.318   0.068
   18    HB   THR   2           HB       THR   2   8.058   7.650   2.092
   19    HG1  THR   2          1HG       THR   2   8.165   9.152   3.562
   20   HG21  THR   2          1HG2      THR   2   9.978   6.382   1.350
   21   HG22  THR   2          2HG2      THR   2   9.917   6.405   3.117
   22   HG23  THR   2          3HG2      THR   2  11.066   7.437   2.253
   23    H    CYS   3           HN       CYS   3   7.642   8.316  -0.891
   24    HA   CYS   3           HA       CYS   3   5.913  10.633  -0.430
   25    HB2  CYS   3          2HB       CYS   3   6.678   9.324  -3.043
   26    HB3  CYS   3          1HB       CYS   3   5.351  10.468  -2.887
   27    H    GLU   4           HN       GLU   4   3.775  10.305  -0.330
   28    HA   GLU   4           HA       GLU   4   2.884   7.563  -0.037
   29    HB2  GLU   4          2HB       GLU   4   2.325   9.561   1.505
   30    HB3  GLU   4          1HB       GLU   4   1.260  10.083   0.206
   31    HG2  GLU   4          2HG       GLU   4  -0.150   8.898   1.611
   32    HG3  GLU   4          1HG       GLU   4   0.282   7.739   0.359
   33    H    ASN   5           HN       ASN   5   1.915   6.603  -1.757
   34    HA   ASN   5           HA       ASN   5   0.433   8.221  -3.636
   35    HB2  ASN   5          2HB       ASN   5   2.865   8.327  -4.401
   36    HB3  ASN   5          1HB       ASN   5   2.758   6.600  -4.708
   37   HD21  ASN   5          1HD2      ASN   5   3.175   7.002  -6.955
   38   HD22  ASN   5          2HD2      ASN   5   1.930   7.623  -7.955
   39    H    LEU   6           HN       LEU   6  -0.746   6.925  -5.150
   40    HA   LEU   6           HA       LEU   6  -2.009   4.788  -3.931
   41    HB2  LEU   6          2HB       LEU   6  -2.017   5.699  -6.785
   42    HB3  LEU   6          1HB       LEU   6  -2.993   4.358  -6.222
   43    HG   LEU   6           HG       LEU   6  -3.197   7.190  -5.184
   44   HD11  LEU   6          1HD1      LEU   6  -5.029   5.629  -6.995
   45   HD12  LEU   6          2HD1      LEU   6  -4.011   6.988  -7.494
   46   HD13  LEU   6          3HD1      LEU   6  -5.324   7.232  -6.333
   47   HD21  LEU   6          1HD2      LEU   6  -4.789   4.705  -4.662
   48   HD22  LEU   6          2HD2      LEU   6  -5.257   6.329  -4.169
   49   HD23  LEU   6          3HD2      LEU   6  -3.803   5.597  -3.500
   50    H    ALA   7           HN       ALA   7  -1.937   2.751  -3.998
   51    HA   ALA   7           HA       ALA   7   0.358   1.286  -4.569
   52    HB1  ALA   7          1HB       ALA   7  -1.363   0.591  -2.997
   53    HB2  ALA   7          2HB       ALA   7  -1.078  -0.672  -4.193
   54    HB3  ALA   7          3HB       ALA   7  -2.501   0.373  -4.321
   55    H    ASP   8           HN       ASP   8   0.971   0.116  -6.309
   56    HA   ASP   8           HA       ASP   8  -0.072   1.114  -8.818
   57    HB2  ASP   8          2HB       ASP   8   2.348  -0.585  -8.243
   58    HB3  ASP   8          1HB       ASP   8   1.978   0.195  -9.777
   59    H    THR   9           HN       THR   9   0.711  -2.120  -7.459
   60    HA   THR   9           HA       THR   9  -0.580  -3.424  -9.653
   61    HB   THR   9           HB       THR   9   0.601  -4.628  -7.150
   62    HG1  THR   9          1HG       THR   9   2.476  -4.110  -7.804
   63   HG21  THR   9          1HG2      THR   9  -0.633  -6.107  -8.641
   64   HG22  THR   9          2HG2      THR   9   1.100  -6.484  -8.649
   65   HG23  THR   9          3HG2      THR   9   0.377  -5.581  -9.993
   66    H    TYR  10           HN       TYR  10  -1.315  -2.384  -6.442
   67    HA   TYR  10           HA       TYR  10  -3.373  -4.329  -5.886
   68    HB2  TYR  10          2HB       TYR  10  -1.913  -3.110  -4.178
   69    HB3  TYR  10          1HB       TYR  10  -2.877  -1.689  -4.524
   70    HD1  TYR  10          1HD       TYR  10  -2.656  -4.789  -2.730
   71    HD2  TYR  10          2HD       TYR  10  -5.308  -1.667  -3.841
   72    HE1  TYR  10          1HE       TYR  10  -4.148  -5.440  -0.923
   73    HE2  TYR  10          2HE       TYR  10  -6.829  -2.305  -2.028
   74    HH   TYR  10           HH       TYR  10  -5.900  -4.294   0.481
   75    H    LYS  11           HN       LYS  11  -4.894  -4.172  -7.432
   76    HA   LYS  11           HA       LYS  11  -6.082  -1.549  -7.964
   77    HB2  LYS  11          2HB       LYS  11  -6.054  -4.069  -9.607
   78    HB3  LYS  11          1HB       LYS  11  -7.025  -2.666 -10.028
   79    HG2  LYS  11          2HG       LYS  11  -5.064  -1.314 -10.314
   80    HG3  LYS  11          1HG       LYS  11  -4.032  -2.602  -9.698
   81    HD2  LYS  11          2HD       LYS  11  -5.714  -2.834 -12.191
   82    HD3  LYS  11          1HD       LYS  11  -4.021  -2.343 -12.198
   83    HE2  LYS  11          2HE       LYS  11  -3.429  -4.485 -11.119
   84    HE3  LYS  11          1HE       LYS  11  -5.116  -4.977 -11.191
   85    HZ1  LYS  11          1HZ       LYS  11  -3.808  -5.895 -12.995
   86    HZ2  LYS  11          2HZ       LYS  11  -3.410  -4.356 -13.530
   87    HZ3  LYS  11          3HZ       LYS  11  -5.013  -4.876 -13.598
   88    H    GLY  12           HN       GLY  12  -6.562  -3.700  -5.932
   89    HA2  GLY  12          2HA       GLY  12  -9.467  -3.956  -6.264
   90    HA3  GLY  12          1HA       GLY  12  -8.500  -4.877  -5.111
   91    HA   PRO  13           HA       PRO  13 -10.039  -1.191  -2.790
   92    HB2  PRO  13          2HB       PRO  13 -12.279  -2.335  -1.636
   93    HB3  PRO  13          1HB       PRO  13 -12.301  -1.333  -3.085
   94    HG2  PRO  13          2HG       PRO  13 -12.896  -4.125  -2.881
   95    HG3  PRO  13          1HG       PRO  13 -12.868  -3.138  -4.343
   96    HD2  PRO  13          2HD       PRO  13 -10.804  -4.962  -3.250
   97    HD3  PRO  13          1HD       PRO  13 -11.075  -4.456  -4.929
   98    H    CYS  14           HN       CYS  14  -9.375  -0.930  -0.703
   99    HA   CYS  14           HA       CYS  14  -8.502  -3.312   0.684
  100    HB2  CYS  14          2HB       CYS  14  -6.921  -1.468   0.683
  101    HB3  CYS  14          1HB       CYS  14  -8.124  -0.395   1.400
  102    H    PHE  15           HN       PHE  15  -9.753  -4.310   2.035
  103    HA   PHE  15           HA       PHE  15 -11.668  -2.744   3.621
  104    HB2  PHE  15          2HB       PHE  15 -11.711  -5.716   2.997
  105    HB3  PHE  15          1HB       PHE  15 -12.915  -4.841   3.931
  106    HD1  PHE  15          1HD       PHE  15 -12.150  -6.140   0.791
  107    HD2  PHE  15          2HD       PHE  15 -13.995  -2.785   2.644
  108    HE1  PHE  15          1HE       PHE  15 -13.399  -5.695  -1.272
  109    HE2  PHE  15          2HE       PHE  15 -15.255  -2.332   0.580
  110    HZ   PHE  15           HZ       PHE  15 -14.959  -3.788  -1.380
  111    H    THR  16           HN       THR  16  -9.560  -5.556   3.633
  112    HA   THR  16           HA       THR  16  -9.037  -5.257   6.456
  113    HB   THR  16           HB       THR  16  -7.874  -7.213   4.466
  114    HG1  THR  16          1HG       THR  16 -10.086  -7.722   6.184
  115   HG21  THR  16          1HG2      THR  16  -8.227  -7.338   7.470
  116   HG22  THR  16          2HG2      THR  16  -6.708  -7.059   6.620
  117   HG23  THR  16          3HG2      THR  16  -7.535  -8.609   6.463
  118    H    THR  17           HN       THR  17  -7.453  -3.848   6.974
  119    HA   THR  17           HA       THR  17  -5.808  -2.564   5.123
  120    HB   THR  17           HB       THR  17  -5.346  -2.823   8.098
  121    HG1  THR  17          1HG       THR  17  -7.296  -1.522   6.588
  122   HG21  THR  17          1HG2      THR  17  -4.355  -0.568   7.855
  123   HG22  THR  17          2HG2      THR  17  -4.643  -0.638   6.115
  124   HG23  THR  17          3HG2      THR  17  -3.504  -1.756   6.867
  125    H    GLY  18           HN       GLY  18  -5.304  -5.400   7.132
  126    HA2  GLY  18          2HA       GLY  18  -2.564  -5.724   6.909
  127    HA3  GLY  18          1HA       GLY  18  -3.718  -7.033   7.127
  128    H    SER  19           HN       SER  19  -5.098  -6.645   4.597
  129    HA   SER  19           HA       SER  19  -3.516  -8.214   2.903
  130    HB2  SER  19          2HB       SER  19  -5.885  -6.507   2.148
  131    HB3  SER  19          1HB       SER  19  -5.360  -8.018   1.399
  132    HG   SER  19           HG       SER  19  -6.146  -9.139   3.017
  133    H    CYS  20           HN       CYS  20  -4.234  -4.780   3.043
  134    HA   CYS  20           HA       CYS  20  -2.956  -4.056   0.597
  135    HB2  CYS  20          2HB       CYS  20  -4.708  -2.692   1.605
  136    HB3  CYS  20          1HB       CYS  20  -3.706  -2.432   3.025
  137    H    ASP  21           HN       ASP  21  -2.084  -4.156   3.983
  138    HA   ASP  21           HA       ASP  21   0.427  -2.918   3.790
  139    HB2  ASP  21          2HB       ASP  21  -0.692  -3.149   5.921
  140    HB3  ASP  21          1HB       ASP  21  -0.689  -4.896   5.768
  141    H    ASP  22           HN       ASP  22  -0.641  -6.264   3.683
  142    HA   ASP  22           HA       ASP  22   1.830  -7.554   3.476
  143    HB2  ASP  22          2HB       ASP  22  -0.136  -8.848   3.825
  144    HB3  ASP  22          1HB       ASP  22  -0.868  -8.204   2.373
  145    H    HIS  23           HN       HIS  23  -0.338  -6.357   0.996
  146    HA   HIS  23           HA       HIS  23   1.202  -7.168  -1.166
  147    HB2  HIS  23          2HB       HIS  23  -1.178  -6.584  -1.341
  148    HB3  HIS  23          1HB       HIS  23  -0.789  -4.903  -1.007
  149    HD1  HIS  23          1HD       HIS  23  -0.547  -7.506  -3.740
  150    HD2  HIS  23          2HD       HIS  23   0.196  -3.474  -3.107
  151    HE1  HIS  23          1HE       HIS  23  -0.126  -6.534  -5.999
  152    H    CYS  24           HN       CYS  24   0.914  -3.869   0.209
  153    HA   CYS  24           HA       CYS  24   2.982  -3.020  -1.471
  154    HB2  CYS  24          2HB       CYS  24   1.693  -1.622   0.861
  155    HB3  CYS  24          1HB       CYS  24   2.928  -0.871  -0.151
  156    H    LYS  25           HN       LYS  25   3.146  -4.412   1.707
  157    HA   LYS  25           HA       LYS  25   5.869  -3.585   2.122
  158    HB2  LYS  25          2HB       LYS  25   4.146  -5.629   3.494
  159    HB3  LYS  25          1HB       LYS  25   5.822  -5.374   3.932
  160    HG2  LYS  25          2HG       LYS  25   3.695  -3.241   4.012
  161    HG3  LYS  25          1HG       LYS  25   4.160  -4.228   5.393
  162    HD2  LYS  25          2HD       LYS  25   6.031  -2.433   3.846
  163    HD3  LYS  25          1HD       LYS  25   5.248  -2.004   5.361
  164    HE2  LYS  25          2HE       LYS  25   6.332  -3.915   6.439
  165    HE3  LYS  25          1HE       LYS  25   7.176  -4.264   4.925
  166    HZ1  LYS  25          1HZ       LYS  25   7.431  -1.777   6.519
  167    HZ2  LYS  25          2HZ       LYS  25   8.238  -2.095   5.078
  168    HZ3  LYS  25          3HZ       LYS  25   8.570  -3.019   6.445
  169    H    ASN  26           HN       ASN  26   4.386  -6.749   1.436
  170    HA   ASN  26           HA       ASN  26   7.070  -7.820   1.055
  171    HB2  ASN  26          2HB       ASN  26   4.455  -9.330   0.965
  172    HB3  ASN  26          1HB       ASN  26   6.076 -10.004   1.061
  173   HD21  ASN  26          1HD2      ASN  26   3.432  -8.704   2.785
  174   HD22  ASN  26          2HD2      ASN  26   4.102  -8.857   4.359
  175    H    LYS  27           HN       LYS  27   4.092  -7.426  -0.785
  176    HA   LYS  27           HA       LYS  27   5.111  -8.925  -3.007
  177    HB2  LYS  27          2HB       LYS  27   2.663  -7.157  -2.899
  178    HB3  LYS  27          1HB       LYS  27   3.017  -8.377  -4.107
  179    HG2  LYS  27          2HG       LYS  27   2.492  -8.927  -1.182
  180    HG3  LYS  27          1HG       LYS  27   1.326  -9.115  -2.490
  181    HD2  LYS  27          2HD       LYS  27   2.803 -10.798  -3.516
  182    HD3  LYS  27          1HD       LYS  27   3.919 -10.622  -2.166
  183    HE2  LYS  27          2HE       LYS  27   1.045 -11.551  -1.967
  184    HE3  LYS  27          1HE       LYS  27   2.453 -12.601  -1.922
  185    HZ1  LYS  27          1HZ       LYS  27   3.135 -11.323   0.137
  186    HZ2  LYS  27          2HZ       LYS  27   1.798 -12.290   0.272
  187    HZ3  LYS  27          3HZ       LYS  27   1.569 -10.653   0.179
  188    H    GLU  28           HN       GLU  28   4.587  -5.516  -2.322
  189    HA   GLU  28           HA       GLU  28   5.678  -4.721  -4.918
  190    HB2  GLU  28          2HB       GLU  28   4.629  -3.104  -2.618
  191    HB3  GLU  28          1HB       GLU  28   5.155  -2.451  -4.158
  192    HG2  GLU  28          2HG       GLU  28   2.955  -4.461  -3.902
  193    HG3  GLU  28          1HG       GLU  28   2.694  -2.718  -3.869
  194    H    HIS  29           HN       HIS  29   6.602  -4.804  -1.573
  195    HA   HIS  29           HA       HIS  29   8.363  -4.202  -0.406
  196    HB2  HIS  29          2HB       HIS  29   9.733  -5.578  -1.908
  197    HB3  HIS  29          1HB       HIS  29   9.843  -4.266  -3.069
  198    HD1  HIS  29          1HD       HIS  29  12.265  -3.582  -3.047
  199    HD2  HIS  29          2HD       HIS  29  10.790  -4.228   0.785
  200    HE1  HIS  29          1HE       HIS  29  14.109  -2.932  -1.480
  201    H    LEU  30           HN       LEU  30   6.851  -2.394  -0.308
  202    HA   LEU  30           HA       LEU  30   8.286   0.100  -0.847
  203    HB2  LEU  30          2HB       LEU  30   5.332  -0.300  -0.301
  204    HB3  LEU  30          1HB       LEU  30   6.114   1.223  -0.658
  205    HG   LEU  30           HG       LEU  30   5.683  -1.086  -2.542
  206   HD11  LEU  30          1HD1      LEU  30   4.570   1.704  -2.510
  207   HD12  LEU  30          2HD1      LEU  30   3.699   0.212  -2.158
  208   HD13  LEU  30          3HD1      LEU  30   4.309   0.513  -3.783
  209   HD21  LEU  30          1HD2      LEU  30   6.674   0.387  -4.284
  210   HD22  LEU  30          2HD2      LEU  30   7.826  -0.134  -3.062
  211   HD23  LEU  30          3HD2      LEU  30   7.180   1.501  -3.008
  212    H    ARG  31           HN       ARG  31   7.274   1.702   1.075
  213    HA   ARG  31           HA       ARG  31   8.508   0.557   3.377
  214    HB2  ARG  31          2HB       ARG  31   8.811   2.931   2.929
  215    HB3  ARG  31          1HB       ARG  31   7.082   3.198   3.063
  216    HG2  ARG  31          2HG       ARG  31   7.139   2.595   5.410
  217    HG3  ARG  31          1HG       ARG  31   8.860   2.237   5.294
  218    HD2  ARG  31          2HD       ARG  31   9.322   4.554   4.761
  219    HD3  ARG  31          1HD       ARG  31   7.596   4.920   4.790
  220    HE   ARG  31           HE       ARG  31   8.180   3.795   7.231
  221   HH11  ARG  31          1HH1      ARG  31   9.322   6.631   5.476
  222   HH12  ARG  31          2HH1      ARG  31   9.508   7.577   6.873
  223   HH21  ARG  31          1HH2      ARG  31   8.440   5.051   9.108
  224   HH22  ARG  31          2HH2      ARG  31   8.987   6.658   8.999
  225    H    SER  32           HN       SER  32   5.160   1.287   2.491
  226    HA   SER  32           HA       SER  32   4.136  -0.612   4.321
  227    HB2  SER  32          2HB       SER  32   2.846   1.133   5.667
  228    HB3  SER  32          1HB       SER  32   4.579   1.058   6.001
  229    HG   SER  32           HG       SER  32   3.966   3.189   5.740
  230    H    GLY  33           HN       GLY  33   1.608  -0.492   4.217
  231    HA2  GLY  33          2HA       GLY  33   0.722   1.015   1.866
  232    HA3  GLY  33          1HA       GLY  33   0.227  -0.650   2.074
  233    H    ARG  34           HN       ARG  34  -0.834   2.396   2.423
  234    HA   ARG  34           HA       ARG  34  -2.227   1.893   4.951
  235    HB2  ARG  34          2HB       ARG  34  -1.619   4.562   3.666
  236    HB3  ARG  34          1HB       ARG  34  -2.172   4.268   5.310
  237    HG2  ARG  34          2HG       ARG  34  -0.063   3.238   5.892
  238    HG3  ARG  34          1HG       ARG  34   0.491   3.360   4.227
  239    HD2  ARG  34          2HD       ARG  34   1.540   5.115   5.391
  240    HD3  ARG  34          1HD       ARG  34   0.239   5.864   4.474
  241    HE   ARG  34           HE       ARG  34  -0.522   5.144   7.118
  242   HH11  ARG  34          1HH1      ARG  34   0.814   7.712   5.087
  243   HH12  ARG  34          2HH1      ARG  34   0.795   8.909   6.298
  244   HH21  ARG  34          1HH2      ARG  34  -0.568   6.811   8.824
  245   HH22  ARG  34          2HH2      ARG  34  -0.033   8.388   8.454
  246    H    CYS  35           HN       CYS  35  -4.362   1.702   4.774
  247    HA   CYS  35           HA       CYS  35  -5.619   2.109   2.202
  248    HB2  CYS  35          2HB       CYS  35  -6.851   1.127   4.784
  249    HB3  CYS  35          1HB       CYS  35  -7.509   0.971   3.155
  250    H    ARG  36           HN       ARG  36  -6.927   3.730   1.683
  251    HA   ARG  36           HA       ARG  36  -7.353   5.734   3.757
  252    HB2  ARG  36          2HB       ARG  36  -6.922   6.052   0.810
  253    HB3  ARG  36          1HB       ARG  36  -7.316   7.376   1.900
  254    HG2  ARG  36          2HG       ARG  36  -4.884   5.618   2.241
  255    HG3  ARG  36          1HG       ARG  36  -4.871   7.131   1.340
  256    HD2  ARG  36          2HD       ARG  36  -4.025   7.409   3.627
  257    HD3  ARG  36          1HD       ARG  36  -5.470   8.364   3.346
  258    HE   ARG  36           HE       ARG  36  -5.666   5.766   4.698
  259   HH11  ARG  36          1HH1      ARG  36  -5.822   9.299   4.916
  260   HH12  ARG  36          2HH1      ARG  36  -6.807   9.331   6.292
  261   HH21  ARG  36          1HH2      ARG  36  -6.978   5.794   6.639
  262   HH22  ARG  36          2HH2      ARG  36  -7.459   7.279   7.302
  263    H    ASP  37           HN       ASP  37  -9.164   7.374   2.875
  264    HA   ASP  37           HA       ASP  37 -11.561   5.911   3.315
  265    HB2  ASP  37          2HB       ASP  37 -12.755   7.983   3.351
  266    HB3  ASP  37          1HB       ASP  37 -11.202   8.276   4.112
  267    H    ASP  38           HN       ASP  38  -9.969   6.715   0.445
  268    HA   ASP  38           HA       ASP  38 -12.364   6.465  -1.189
  269    HB2  ASP  38          2HB       ASP  38  -9.458   6.777  -1.920
  270    HB3  ASP  38          1HB       ASP  38 -10.671   6.384  -3.130
  271    H    PHE  39           HN       PHE  39 -10.888   4.298   0.558
  272    HA   PHE  39           HA       PHE  39 -10.815   2.059   0.668
  273    HB2  PHE  39          2HB       PHE  39 -12.378   2.111  -1.934
  274    HB3  PHE  39          1HB       PHE  39 -11.995   0.642  -1.054
  275    HD1  PHE  39          1HD       PHE  39 -12.999   0.281   1.205
  276    HD2  PHE  39          2HD       PHE  39 -14.194   3.481  -1.332
  277    HE1  PHE  39          1HE       PHE  39 -15.082   0.522   2.495
  278    HE2  PHE  39          2HE       PHE  39 -16.276   3.730  -0.044
  279    HZ   PHE  39           HZ       PHE  39 -16.721   2.249   1.871
  280    H    ARG  40           HN       ARG  40  -9.189   3.803  -1.415
  281    HA   ARG  40           HA       ARG  40  -7.832   1.554  -2.689
  282    HB2  ARG  40          2HB       ARG  40  -8.624   3.622  -4.008
  283    HB3  ARG  40          1HB       ARG  40  -7.328   4.491  -3.201
  284    HG2  ARG  40          2HG       ARG  40  -6.528   3.847  -5.337
  285    HG3  ARG  40          1HG       ARG  40  -5.731   2.802  -4.154
  286    HD2  ARG  40          2HD       ARG  40  -6.415   1.456  -6.010
  287    HD3  ARG  40          1HD       ARG  40  -7.475   1.068  -4.658
  288    HE   ARG  40           HE       ARG  40  -8.568   3.133  -6.243
  289   HH11  ARG  40          1HH1      ARG  40  -8.239  -0.409  -6.094
  290   HH12  ARG  40          2HH1      ARG  40  -9.421  -0.705  -7.275
  291   HH21  ARG  40          1HH2      ARG  40 -10.244   2.720  -7.804
  292   HH22  ARG  40          2HH2      ARG  40 -10.605   1.121  -8.260
  293    H    CYS  41           HN       CYS  41  -5.456   1.567  -2.589
  294    HA   CYS  41           HA       CYS  41  -4.604   2.285   0.069
  295    HB2  CYS  41          2HB       CYS  41  -3.517   0.451  -2.018
  296    HB3  CYS  41          1HB       CYS  41  -2.613   0.871  -0.570
  297    H    TRP  42           HN       TRP  42  -3.291   3.808   0.510
  298    HA   TRP  42           HA       TRP  42  -1.621   4.948  -1.577
  299    HB2  TRP  42          2HB       TRP  42  -3.072   6.074   0.723
  300    HB3  TRP  42          1HB       TRP  42  -1.392   6.585   0.655
  301    HD1  TRP  42          1HD       TRP  42  -0.675   8.174  -1.380
  302    HE1  TRP  42          1HE       TRP  42  -2.019   9.659  -2.988
  303    HE3  TRP  42          3HE       TRP  42  -5.341   6.235  -0.591
  304    HZ2  TRP  42          2HZ       TRP  42  -4.694   9.980  -3.809
  305    HZ3  TRP  42          3HZ       TRP  42  -7.240   7.209  -1.820
  306    HH2  TRP  42          2HH       TRP  42  -6.916   9.036  -3.395
  307    H    CYS  43           HN       CYS  43   0.254   4.028  -1.525
  308    HA   CYS  43           HA       CYS  43   1.191   2.887   1.002
  309    HB2  CYS  43          2HB       CYS  43   1.792   2.039  -1.839
  310    HB3  CYS  43          1HB       CYS  43   2.451   1.293  -0.385
  311    H    THR  44           HN       THR  44   3.185   3.474   1.690
  312    HA   THR  44           HA       THR  44   4.301   5.818   0.512
  313    HB   THR  44           HB       THR  44   5.326   4.171   2.839
  314    HG1  THR  44          1HG       THR  44   3.119   5.767   2.613
  315   HG21  THR  44          1HG2      THR  44   6.419   6.277   3.501
  316   HG22  THR  44          2HG2      THR  44   5.799   7.045   2.040
  317   HG23  THR  44          3HG2      THR  44   6.967   5.731   1.916
  318    H    LYS  45           HN       LYS  45   5.653   5.712  -1.134
  319    HA   LYS  45           HA       LYS  45   7.596   3.525  -1.203
  320    HB2  LYS  45          2HB       LYS  45   7.712   3.848  -3.696
  321    HB3  LYS  45          1HB       LYS  45   6.181   3.227  -3.110
  322    HG2  LYS  45          2HG       LYS  45   5.068   5.249  -3.534
  323    HG3  LYS  45          1HG       LYS  45   6.582   6.140  -3.709
  324    HD2  LYS  45          2HD       LYS  45   5.511   5.707  -5.889
  325    HD3  LYS  45          1HD       LYS  45   7.090   4.946  -5.766
  326    HE2  LYS  45          2HE       LYS  45   5.631   3.389  -6.835
  327    HE3  LYS  45          1HE       LYS  45   5.892   2.793  -5.204
  328    HZ1  LYS  45          1HZ       LYS  45   3.669   3.625  -4.601
  329    HZ2  LYS  45          2HZ       LYS  45   3.604   2.645  -6.009
  330    HZ3  LYS  45          3HZ       LYS  45   3.528   4.286  -6.163
  331    H    ASN  46           HN       ASN  46   9.648   4.197  -2.410
  332    HA   ASN  46           HA       ASN  46  10.518   6.627  -1.123
  333    HB2  ASN  46          2HB       ASN  46  12.095   4.698  -2.848
  334    HB3  ASN  46          1HB       ASN  46  12.772   6.033  -1.930
  335   HD21  ASN  46          1HD2      ASN  46  13.464   3.299  -1.758
  336   HD22  ASN  46          2HD2      ASN  46  13.154   2.761  -0.155
  337    H    CYS  47           HN       CYS  47  11.290   8.429  -2.135
  338    HA   CYS  47           HA       CYS  47  11.067   8.559  -5.001
  339    HB2  CYS  47          2HB       CYS  47   9.860  10.771  -4.789
  340    HB3  CYS  47          1HB       CYS  47   8.902   9.361  -4.359
  Start of MODEL   19
    1    H1   LYS   1          1HT       LYS   1  11.510  11.973   0.435
    2    H2   LYS   1          2HT       LYS   1  12.994  12.227   1.140
    3    H3   LYS   1          3HT       LYS   1  11.768  11.532   2.045
    4    HA   LYS   1           HA       LYS   1  13.034  10.384  -0.353
    5    HB2  LYS   1          2HB       LYS   1  14.113   8.745   1.146
    6    HB3  LYS   1          1HB       LYS   1  14.620  10.387   1.511
    7    HG2  LYS   1          2HG       LYS   1  13.034  10.432   3.397
    8    HG3  LYS   1          1HG       LYS   1  12.592   8.764   3.032
    9    HD2  LYS   1          2HD       LYS   1  14.904   8.065   3.424
   10    HD3  LYS   1          1HD       LYS   1  15.346   9.734   3.771
   11    HE2  LYS   1          2HE       LYS   1  15.042   8.482   5.837
   12    HE3  LYS   1          1HE       LYS   1  13.827   9.745   5.687
   13    HZ1  LYS   1          1HZ       LYS   1  12.221   8.105   5.008
   14    HZ2  LYS   1          2HZ       LYS   1  12.903   7.635   6.471
   15    HZ3  LYS   1          3HZ       LYS   1  13.378   6.876   5.046
   16    H    THR   2           HN       THR   2  10.280  10.622   1.072
   17    HA   THR   2           HA       THR   2   9.403   8.059   0.060
   18    HB   THR   2           HB       THR   2   7.781   7.966   2.077
   19    HG1  THR   2          1HG       THR   2   8.541  10.061   2.874
   20   HG21  THR   2          1HG2      THR   2   9.486   6.270   1.700
   21   HG22  THR   2          2HG2      THR   2   9.383   6.639   3.423
   22   HG23  THR   2          3HG2      THR   2  10.708   7.292   2.455
   23    H    CYS   3           HN       CYS   3   7.356   8.103  -0.776
   24    HA   CYS   3           HA       CYS   3   5.788  10.470  -0.326
   25    HB2  CYS   3          2HB       CYS   3   5.359  10.865  -2.701
   26    HB3  CYS   3          1HB       CYS   3   7.085  10.931  -2.418
   27    H    GLU   4           HN       GLU   4   3.609  10.024  -0.351
   28    HA   GLU   4           HA       GLU   4   3.045   7.177  -0.419
   29    HB2  GLU   4          2HB       GLU   4   2.499   8.529   1.605
   30    HB3  GLU   4          1HB       GLU   4   1.371   9.453   0.624
   31    HG2  GLU   4          2HG       GLU   4  -0.025   7.576   0.324
   32    HG3  GLU   4          1HG       GLU   4   1.167   6.489   1.048
   33    H    ASN   5           HN       ASN   5   2.108   6.345  -2.116
   34    HA   ASN   5           HA       ASN   5   0.422   8.022  -3.799
   35    HB2  ASN   5          2HB       ASN   5   2.797   8.156  -4.651
   36    HB3  ASN   5          1HB       ASN   5   2.761   6.413  -4.865
   37   HD21  ASN   5          1HD2      ASN   5   1.523   9.452  -5.994
   38   HD22  ASN   5          2HD2      ASN   5   0.949   8.897  -7.512
   39    H    LEU   6           HN       LEU   6  -0.578   6.581  -5.498
   40    HA   LEU   6           HA       LEU   6  -1.896   4.525  -4.158
   41    HB2  LEU   6          2HB       LEU   6  -1.862   5.327  -7.041
   42    HB3  LEU   6          1HB       LEU   6  -2.896   4.058  -6.403
   43    HG   LEU   6           HG       LEU   6  -2.957   6.960  -5.602
   44   HD11  LEU   6          1HD1      LEU   6  -5.145   6.954  -6.646
   45   HD12  LEU   6          2HD1      LEU   6  -4.929   5.275  -7.123
   46   HD13  LEU   6          3HD1      LEU   6  -3.905   6.535  -7.838
   47   HD21  LEU   6          1HD2      LEU   6  -3.520   5.601  -3.739
   48   HD22  LEU   6          2HD2      LEU   6  -4.549   4.598  -4.751
   49   HD23  LEU   6          3HD2      LEU   6  -5.008   6.269  -4.414
   50    H    ALA   7           HN       ALA   7  -1.751   2.444  -4.257
   51    HA   ALA   7           HA       ALA   7   0.635   1.116  -4.883
   52    HB1  ALA   7          1HB       ALA   7  -1.024   0.394  -3.241
   53    HB2  ALA   7          2HB       ALA   7  -0.605  -0.912  -4.361
   54    HB3  ALA   7          3HB       ALA   7  -2.133  -0.030  -4.541
   55    H    ASP   8           HN       ASP   8   1.106  -0.369  -6.567
   56    HA   ASP   8           HA       ASP   8  -0.192   0.468  -9.059
   57    HB2  ASP   8          2HB       ASP   8   2.210   0.917  -8.930
   58    HB3  ASP   8          1HB       ASP   8   2.521  -0.791  -8.646
   59    H    THR   9           HN       THR   9   0.894  -2.454  -7.356
   60    HA   THR   9           HA       THR   9  -0.494  -3.925  -9.438
   61    HB   THR   9           HB       THR   9   0.768  -5.948  -8.435
   62    HG1  THR   9          1HG       THR   9   1.593  -4.839  -6.632
   63   HG21  THR   9          1HG2      THR   9   1.145  -5.030 -10.666
   64   HG22  THR   9          2HG2      THR   9   2.667  -5.507  -9.919
   65   HG23  THR   9          3HG2      THR   9   2.216  -3.802  -9.991
   66    H    TYR  10           HN       TYR  10  -0.825  -3.020  -6.220
   67    HA   TYR  10           HA       TYR  10  -2.342  -5.234  -5.353
   68    HB2  TYR  10          2HB       TYR  10  -1.537  -3.548  -3.738
   69    HB3  TYR  10          1HB       TYR  10  -2.592  -2.340  -4.468
   70    HD1  TYR  10          1HD       TYR  10  -2.588  -5.523  -2.560
   71    HD2  TYR  10          2HD       TYR  10  -4.868  -2.172  -3.835
   72    HE1  TYR  10          1HE       TYR  10  -4.408  -6.197  -1.061
   73    HE2  TYR  10          2HE       TYR  10  -6.684  -2.828  -2.353
   74    HH   TYR  10           HH       TYR  10  -7.531  -4.714  -1.228
   75    H    LYS  11           HN       LYS  11  -4.097  -5.960  -6.199
   76    HA   LYS  11           HA       LYS  11  -5.696  -4.136  -7.791
   77    HB2  LYS  11          2HB       LYS  11  -5.365  -7.122  -7.915
   78    HB3  LYS  11          1HB       LYS  11  -6.569  -6.245  -8.854
   79    HG2  LYS  11          2HG       LYS  11  -4.857  -4.992 -10.000
   80    HG3  LYS  11          1HG       LYS  11  -3.609  -5.694  -8.979
   81    HD2  LYS  11          2HD       LYS  11  -5.370  -7.311 -10.813
   82    HD3  LYS  11          1HD       LYS  11  -3.798  -6.669 -11.287
   83    HE2  LYS  11          2HE       LYS  11  -2.726  -7.941  -9.502
   84    HE3  LYS  11          1HE       LYS  11  -4.290  -8.557  -8.978
   85    HZ1  LYS  11          1HZ       LYS  11  -3.109 -10.149 -10.353
   86    HZ2  LYS  11          2HZ       LYS  11  -3.061  -9.062 -11.637
   87    HZ3  LYS  11          3HZ       LYS  11  -4.541  -9.660 -11.079
   88    H    GLY  12           HN       GLY  12  -7.700  -3.697  -7.343
   89    HA2  GLY  12          2HA       GLY  12  -9.837  -4.089  -6.469
   90    HA3  GLY  12          1HA       GLY  12  -9.153  -5.287  -5.369
   91    HA   PRO  13           HA       PRO  13  -9.345  -1.199  -3.124
   92    HB2  PRO  13          2HB       PRO  13 -11.700  -1.942  -1.672
   93    HB3  PRO  13          1HB       PRO  13 -11.527  -0.629  -2.834
   94    HG2  PRO  13          2HG       PRO  13 -13.071  -2.895  -3.224
   95    HG3  PRO  13          1HG       PRO  13 -12.468  -1.846  -4.514
   96    HD2  PRO  13          2HD       PRO  13 -11.419  -4.470  -3.552
   97    HD3  PRO  13          1HD       PRO  13 -11.485  -3.810  -5.201
   98    H    CYS  14           HN       CYS  14  -9.272  -0.944  -0.756
   99    HA   CYS  14           HA       CYS  14  -7.993  -3.202   0.470
  100    HB2  CYS  14          2HB       CYS  14  -7.005  -1.041   0.853
  101    HB3  CYS  14          1HB       CYS  14  -8.533  -0.396   1.441
  102    H    PHE  15           HN       PHE  15  -9.185  -4.725   1.328
  103    HA   PHE  15           HA       PHE  15 -11.695  -4.036   2.629
  104    HB2  PHE  15          2HB       PHE  15 -10.473  -6.725   1.983
  105    HB3  PHE  15          1HB       PHE  15 -12.057  -6.476   2.706
  106    HD1  PHE  15          1HD       PHE  15 -13.767  -5.170   1.367
  107    HD2  PHE  15          2HD       PHE  15 -10.209  -6.747  -0.329
  108    HE1  PHE  15          1HE       PHE  15 -14.772  -5.027  -0.869
  109    HE2  PHE  15          2HE       PHE  15 -11.204  -6.611  -2.564
  110    HZ   PHE  15           HZ       PHE  15 -13.491  -5.745  -2.837
  111    H    THR  16           HN       THR  16  -8.587  -5.550   3.187
  112    HA   THR  16           HA       THR  16  -8.889  -4.987   6.035
  113    HB   THR  16           HB       THR  16  -7.408  -7.342   4.804
  114    HG1  THR  16          1HG       THR  16 -10.026  -7.025   5.775
  115   HG21  THR  16          1HG2      THR  16  -6.491  -6.592   6.949
  116   HG22  THR  16          2HG2      THR  16  -7.303  -8.147   7.142
  117   HG23  THR  16          3HG2      THR  16  -8.096  -6.665   7.673
  118    H    THR  17           HN       THR  17  -7.350  -3.573   6.665
  119    HA   THR  17           HA       THR  17  -5.580  -2.431   4.872
  120    HB   THR  17           HB       THR  17  -5.575  -2.323   7.889
  121    HG1  THR  17          1HG       THR  17  -7.022  -1.208   5.814
  122   HG21  THR  17          1HG2      THR  17  -4.429  -0.385   5.845
  123   HG22  THR  17          2HG2      THR  17  -3.475  -1.429   6.896
  124   HG23  THR  17          3HG2      THR  17  -4.459  -0.140   7.592
  125    H    GLY  18           HN       GLY  18  -5.053  -5.006   7.205
  126    HA2  GLY  18          2HA       GLY  18  -2.273  -5.120   7.130
  127    HA3  GLY  18          1HA       GLY  18  -3.333  -6.478   7.476
  128    H    SER  19           HN       SER  19  -4.654  -6.544   4.933
  129    HA   SER  19           HA       SER  19  -2.817  -8.081   3.432
  130    HB2  SER  19          2HB       SER  19  -5.532  -7.020   2.658
  131    HB3  SER  19          1HB       SER  19  -4.690  -8.394   1.930
  132    HG   SER  19           HG       SER  19  -4.999  -9.559   3.673
  133    H    CYS  20           HN       CYS  20  -4.199  -4.864   3.086
  134    HA   CYS  20           HA       CYS  20  -3.127  -4.205   0.556
  135    HB2  CYS  20          2HB       CYS  20  -4.917  -2.885   1.492
  136    HB3  CYS  20          1HB       CYS  20  -3.975  -2.536   2.932
  137    H    ASP  21           HN       ASP  21  -2.074  -3.585   3.848
  138    HA   ASP  21           HA       ASP  21   0.358  -2.314   3.359
  139    HB2  ASP  21          2HB       ASP  21  -0.844  -2.334   5.507
  140    HB3  ASP  21          1HB       ASP  21  -0.522  -4.051   5.668
  141    H    ASP  22           HN       ASP  22  -0.513  -5.671   3.714
  142    HA   ASP  22           HA       ASP  22   2.010  -6.884   3.723
  143    HB2  ASP  22          2HB       ASP  22  -0.066  -8.078   4.281
  144    HB3  ASP  22          1HB       ASP  22  -0.607  -7.915   2.619
  145    H    HIS  23           HN       HIS  23  -0.208  -6.333   0.980
  146    HA   HIS  23           HA       HIS  23   1.480  -7.393  -0.980
  147    HB2  HIS  23          2HB       HIS  23  -0.958  -7.021  -1.297
  148    HB3  HIS  23          1HB       HIS  23  -0.670  -5.286  -1.329
  149    HD1  HIS  23          1HD       HIS  23  -0.873  -8.195  -3.536
  150    HD2  HIS  23          2HD       HIS  23   0.931  -4.459  -3.607
  151    HE1  HIS  23          1HE       HIS  23  -0.211  -7.791  -5.934
  152    H    CYS  24           HN       CYS  24   0.980  -4.002  -0.003
  153    HA   CYS  24           HA       CYS  24   2.761  -2.988  -1.878
  154    HB2  CYS  24          2HB       CYS  24   1.747  -1.788   0.692
  155    HB3  CYS  24          1HB       CYS  24   2.804  -0.910  -0.411
  156    H    LYS  25           HN       LYS  25   3.435  -4.208   1.352
  157    HA   LYS  25           HA       LYS  25   6.168  -3.280   1.232
  158    HB2  LYS  25          2HB       LYS  25   4.878  -5.284   3.069
  159    HB3  LYS  25          1HB       LYS  25   6.495  -4.631   3.272
  160    HG2  LYS  25          2HG       LYS  25   5.573  -2.406   3.604
  161    HG3  LYS  25          1HG       LYS  25   3.946  -3.032   3.339
  162    HD2  LYS  25          2HD       LYS  25   5.815  -3.720   5.611
  163    HD3  LYS  25          1HD       LYS  25   4.310  -2.802   5.716
  164    HE2  LYS  25          2HE       LYS  25   3.143  -4.866   4.841
  165    HE3  LYS  25          1HE       LYS  25   4.683  -5.697   5.060
  166    HZ1  LYS  25          1HZ       LYS  25   3.009  -4.417   7.106
  167    HZ2  LYS  25          2HZ       LYS  25   4.534  -5.057   7.471
  168    HZ3  LYS  25          3HZ       LYS  25   3.269  -6.067   6.952
  169    H    ASN  26           HN       ASN  26   4.526  -6.387   0.803
  170    HA   ASN  26           HA       ASN  26   6.982  -7.837   0.467
  171    HB2  ASN  26          2HB       ASN  26   4.131  -8.692   0.003
  172    HB3  ASN  26          1HB       ASN  26   5.508  -9.767  -0.124
  173   HD21  ASN  26          1HD2      ASN  26   3.244  -9.966   1.591
  174   HD22  ASN  26          2HD2      ASN  26   3.802  -9.964   3.198
  175    H    LYS  27           HN       LYS  27   4.318  -7.069  -1.735
  176    HA   LYS  27           HA       LYS  27   5.781  -8.214  -3.936
  177    HB2  LYS  27          2HB       LYS  27   3.390  -8.629  -3.745
  178    HB3  LYS  27          1HB       LYS  27   3.063  -6.908  -3.785
  179    HG2  LYS  27          2HG       LYS  27   2.536  -7.950  -5.910
  180    HG3  LYS  27          1HG       LYS  27   3.867  -6.808  -6.088
  181    HD2  LYS  27          2HD       LYS  27   5.464  -8.650  -6.059
  182    HD3  LYS  27          1HD       LYS  27   4.146  -9.806  -5.841
  183    HE2  LYS  27          2HE       LYS  27   3.215  -9.199  -7.981
  184    HE3  LYS  27          1HE       LYS  27   4.423  -7.936  -8.180
  185    HZ1  LYS  27          1HZ       LYS  27   6.133  -9.654  -8.228
  186    HZ2  LYS  27          2HZ       LYS  27   4.996  -9.878  -9.447
  187    HZ3  LYS  27          3HZ       LYS  27   4.957 -10.856  -8.075
  188    H    GLU  28           HN       GLU  28   4.576  -5.007  -2.995
  189    HA   GLU  28           HA       GLU  28   5.864  -3.955  -5.348
  190    HB2  GLU  28          2HB       GLU  28   4.208  -2.518  -3.293
  191    HB3  GLU  28          1HB       GLU  28   4.880  -1.768  -4.737
  192    HG2  GLU  28          2HG       GLU  28   3.656  -3.640  -6.003
  193    HG3  GLU  28          1HG       GLU  28   2.765  -3.854  -4.510
  194    H    HIS  29           HN       HIS  29   6.839  -4.504  -2.246
  195    HA   HIS  29           HA       HIS  29   8.725  -3.998  -1.066
  196    HB2  HIS  29          2HB       HIS  29   9.704  -3.080  -3.784
  197    HB3  HIS  29          1HB       HIS  29  10.736  -3.207  -2.368
  198    HD1  HIS  29          1HD       HIS  29   9.767  -5.101  -5.278
  199    HD2  HIS  29          2HD       HIS  29  10.660  -5.987  -1.320
  200    HE1  HIS  29          1HE       HIS  29  10.420  -7.524  -5.250
  201    H    LEU  30           HN       LEU  30   6.673  -2.130  -1.000
  202    HA   LEU  30           HA       LEU  30   7.994   0.470  -0.964
  203    HB2  LEU  30          2HB       LEU  30   5.125  -0.176  -0.276
  204    HB3  LEU  30          1HB       LEU  30   5.791   1.397  -0.660
  205    HG   LEU  30           HG       LEU  30   5.313  -0.901  -2.537
  206   HD11  LEU  30          1HD1      LEU  30   4.109   1.843  -2.436
  207   HD12  LEU  30          2HD1      LEU  30   3.332   0.316  -2.027
  208   HD13  LEU  30          3HD1      LEU  30   3.822   0.633  -3.686
  209   HD21  LEU  30          1HD2      LEU  30   6.126   0.587  -4.354
  210   HD22  LEU  30          2HD2      LEU  30   7.381   0.081  -3.233
  211   HD23  LEU  30          3HD2      LEU  30   6.724   1.707  -3.126
  212    H    ARG  31           HN       ARG  31   6.961   1.758   1.183
  213    HA   ARG  31           HA       ARG  31   8.395   0.491   3.313
  214    HB2  ARG  31          2HB       ARG  31   8.424   2.947   3.055
  215    HB3  ARG  31          1HB       ARG  31   6.692   2.998   3.346
  216    HG2  ARG  31          2HG       ARG  31   7.097   2.044   5.608
  217    HG3  ARG  31          1HG       ARG  31   8.828   2.171   5.304
  218    HD2  ARG  31          2HD       ARG  31   8.560   4.612   4.995
  219    HD3  ARG  31          1HD       ARG  31   6.846   4.447   5.374
  220    HE   ARG  31           HE       ARG  31   8.715   3.426   7.330
  221   HH11  ARG  31          1HH1      ARG  31   6.644   6.178   6.432
  222   HH12  ARG  31          2HH1      ARG  31   6.594   6.787   8.026
  223   HH21  ARG  31          1HH2      ARG  31   8.661   4.347   9.453
  224   HH22  ARG  31          2HH2      ARG  31   7.768   5.780   9.740
  225    H    SER  32           HN       SER  32   5.001   1.469   2.855
  226    HA   SER  32           HA       SER  32   4.046  -0.803   4.310
  227    HB2  SER  32          2HB       SER  32   2.816   0.750   5.932
  228    HB3  SER  32          1HB       SER  32   4.552   0.577   6.208
  229    HG   SER  32           HG       SER  32   3.483   2.793   6.131
  230    H    GLY  33           HN       GLY  33   1.564  -0.627   4.343
  231    HA2  GLY  33          2HA       GLY  33   0.663   0.976   2.044
  232    HA3  GLY  33          1HA       GLY  33   0.094  -0.662   2.266
  233    H    ARG  34           HN       ARG  34  -1.210   2.111   2.294
  234    HA   ARG  34           HA       ARG  34  -2.540   1.785   4.876
  235    HB2  ARG  34          2HB       ARG  34  -1.774   4.383   3.550
  236    HB3  ARG  34          1HB       ARG  34  -2.704   4.227   5.033
  237    HG2  ARG  34          2HG       ARG  34  -0.804   3.239   6.161
  238    HG3  ARG  34          1HG       ARG  34   0.132   3.280   4.667
  239    HD2  ARG  34          2HD       ARG  34   0.739   5.135   6.099
  240    HD3  ARG  34          1HD       ARG  34  -0.052   5.717   4.636
  241    HE   ARG  34           HE       ARG  34  -1.767   5.306   6.904
  242   HH11  ARG  34          1HH1      ARG  34   0.049   7.610   4.945
  243   HH12  ARG  34          2HH1      ARG  34  -0.562   8.987   5.736
  244   HH21  ARG  34          1HH2      ARG  34  -2.743   7.203   7.887
  245   HH22  ARG  34          2HH2      ARG  34  -2.218   8.751   7.408
  246    H    CYS  35           HN       CYS  35  -4.700   2.167   4.892
  247    HA   CYS  35           HA       CYS  35  -5.958   2.311   2.243
  248    HB2  CYS  35          2HB       CYS  35  -7.110   1.288   4.839
  249    HB3  CYS  35          1HB       CYS  35  -7.796   1.111   3.223
  250    H    ARG  36           HN       ARG  36  -6.451   4.253   1.820
  251    HA   ARG  36           HA       ARG  36  -7.163   6.148   3.878
  252    HB2  ARG  36          2HB       ARG  36  -7.003   6.395   0.903
  253    HB3  ARG  36          1HB       ARG  36  -7.176   7.760   2.015
  254    HG2  ARG  36          2HG       ARG  36  -4.836   5.876   1.784
  255    HG3  ARG  36          1HG       ARG  36  -4.877   7.525   1.165
  256    HD2  ARG  36          2HD       ARG  36  -5.019   6.672   4.064
  257    HD3  ARG  36          1HD       ARG  36  -3.606   7.328   3.254
  258    HE   ARG  36           HE       ARG  36  -6.090   8.864   3.575
  259   HH11  ARG  36          1HH1      ARG  36  -2.484   8.772   3.652
  260   HH12  ARG  36          2HH1      ARG  36  -2.385  10.262   4.464
  261   HH21  ARG  36          1HH2      ARG  36  -5.816  10.960   4.632
  262   HH22  ARG  36          2HH2      ARG  36  -4.246  11.509   4.987
  263    H    ASP  37           HN       ASP  37  -9.072   7.682   2.948
  264    HA   ASP  37           HA       ASP  37 -11.427   6.328   3.577
  265    HB2  ASP  37          2HB       ASP  37 -11.145   8.728   3.909
  266    HB3  ASP  37          1HB       ASP  37 -11.135   8.976   2.169
  267    H    ASP  38           HN       ASP  38 -10.069   6.958   0.425
  268    HA   ASP  38           HA       ASP  38 -12.482   6.224  -0.995
  269    HB2  ASP  38          2HB       ASP  38  -9.657   6.548  -2.035
  270    HB3  ASP  38          1HB       ASP  38 -11.045   6.195  -3.050
  271    H    PHE  39           HN       PHE  39 -10.363   4.453   0.709
  272    HA   PHE  39           HA       PHE  39  -9.867   2.348   0.979
  273    HB2  PHE  39          2HB       PHE  39 -12.275   1.903  -0.753
  274    HB3  PHE  39          1HB       PHE  39 -11.332   0.554  -0.122
  275    HD1  PHE  39          1HD       PHE  39 -11.119   0.222   2.295
  276    HD2  PHE  39          2HD       PHE  39 -13.731   3.154   0.658
  277    HE1  PHE  39          1HE       PHE  39 -12.280   0.382   4.449
  278    HE2  PHE  39          2HE       PHE  39 -14.896   3.313   2.803
  279    HZ   PHE  39           HZ       PHE  39 -14.170   1.930   4.703
  280    H    ARG  40           HN       ARG  40  -9.183   3.780  -1.750
  281    HA   ARG  40           HA       ARG  40  -7.884   1.527  -2.971
  282    HB2  ARG  40          2HB       ARG  40  -8.631   3.464  -4.378
  283    HB3  ARG  40          1HB       ARG  40  -7.516   4.505  -3.501
  284    HG2  ARG  40          2HG       ARG  40  -6.547   3.926  -5.614
  285    HG3  ARG  40          1HG       ARG  40  -5.674   3.111  -4.307
  286    HD2  ARG  40          2HD       ARG  40  -6.984   1.070  -4.755
  287    HD3  ARG  40          1HD       ARG  40  -7.698   1.881  -6.153
  288    HE   ARG  40           HE       ARG  40  -5.153   2.184  -6.680
  289   HH11  ARG  40          1HH1      ARG  40  -7.010  -0.715  -5.769
  290   HH12  ARG  40          2HH1      ARG  40  -5.822  -1.786  -6.348
  291   HH21  ARG  40          1HH2      ARG  40  -3.536   0.640  -7.483
  292   HH22  ARG  40          2HH2      ARG  40  -3.864  -1.028  -7.342
  293    H    CYS  41           HN       CYS  41  -5.632   1.146  -2.833
  294    HA   CYS  41           HA       CYS  41  -4.602   1.892  -0.301
  295    HB2  CYS  41          2HB       CYS  41  -3.596   0.079  -2.450
  296    HB3  CYS  41          1HB       CYS  41  -2.651   0.447  -1.009
  297    H    TRP  42           HN       TRP  42  -3.648   3.627   0.092
  298    HA   TRP  42           HA       TRP  42  -1.793   4.781  -1.837
  299    HB2  TRP  42          2HB       TRP  42  -3.363   5.841   0.456
  300    HB3  TRP  42          1HB       TRP  42  -1.735   6.458   0.321
  301    HD1  TRP  42          1HD       TRP  42  -1.259   8.192  -1.593
  302    HE1  TRP  42          1HE       TRP  42  -2.816   9.646  -3.064
  303    HE3  TRP  42          3HE       TRP  42  -5.654   5.690  -0.885
  304    HZ2  TRP  42          2HZ       TRP  42  -5.524   9.718  -3.807
  305    HZ3  TRP  42          3HZ       TRP  42  -7.670   6.516  -2.001
  306    HH2  TRP  42          2HH       TRP  42  -7.609   8.480  -3.436
  307    H    CYS  43           HN       CYS  43   0.032   3.735  -1.582
  308    HA   CYS  43           HA       CYS  43   0.740   2.883   1.099
  309    HB2  CYS  43          2HB       CYS  43   1.661   1.865  -1.595
  310    HB3  CYS  43          1HB       CYS  43   2.207   1.246  -0.032
  311    H    THR  44           HN       THR  44   2.650   3.463   1.980
  312    HA   THR  44           HA       THR  44   3.829   5.868   0.964
  313    HB   THR  44           HB       THR  44   4.682   4.163   3.320
  314    HG1  THR  44          1HG       THR  44   2.481   5.929   3.029
  315   HG21  THR  44          1HG2      THR  44   6.267   5.919   2.654
  316   HG22  THR  44          2HG2      THR  44   5.524   6.302   4.206
  317   HG23  THR  44          3HG2      THR  44   4.978   7.121   2.741
  318    H    LYS  45           HN       LYS  45   5.340   5.687  -0.604
  319    HA   LYS  45           HA       LYS  45   6.997   3.289  -0.592
  320    HB2  LYS  45          2HB       LYS  45   7.237   3.688  -3.042
  321    HB3  LYS  45          1HB       LYS  45   5.609   3.259  -2.513
  322    HG2  LYS  45          2HG       LYS  45   5.059   5.694  -2.599
  323    HG3  LYS  45          1HG       LYS  45   6.631   5.953  -3.351
  324    HD2  LYS  45          2HD       LYS  45   4.443   4.167  -4.423
  325    HD3  LYS  45          1HD       LYS  45   4.820   5.789  -4.998
  326    HE2  LYS  45          2HE       LYS  45   7.047   5.031  -5.677
  327    HE3  LYS  45          1HE       LYS  45   6.681   3.413  -5.079
  328    HZ1  LYS  45          1HZ       LYS  45   4.911   3.249  -6.709
  329    HZ2  LYS  45          2HZ       LYS  45   6.364   3.549  -7.460
  330    HZ3  LYS  45          3HZ       LYS  45   5.241   4.795  -7.279
  331    H    ASN  46           HN       ASN  46   9.159   3.559  -1.445
  332    HA   ASN  46           HA       ASN  46  10.287   5.957  -0.322
  333    HB2  ASN  46          2HB       ASN  46  11.649   3.509  -1.491
  334    HB3  ASN  46          1HB       ASN  46  12.484   4.865  -0.745
  335   HD21  ASN  46          1HD2      ASN  46  10.583   2.044  -0.197
  336   HD22  ASN  46          2HD2      ASN  46  10.765   1.974   1.515
  337    H    CYS  47           HN       CYS  47  10.840   7.613  -1.410
  338    HA   CYS  47           HA       CYS  47  10.929   7.422  -4.320
  339    HB2  CYS  47          2HB       CYS  47   9.580   9.634  -2.731
  340    HB3  CYS  47          1HB       CYS  47   9.542   9.407  -4.482
  Start of MODEL   20
    1    H1   LYS   1          1HT       LYS   1  12.602  11.234   1.382
    2    H2   LYS   1          2HT       LYS   1  12.480  12.848   1.909
    3    H3   LYS   1          3HT       LYS   1  11.516  12.272   0.638
    4    HA   LYS   1           HA       LYS   1  11.368  11.261   3.383
    5    HB2  LYS   1          2HB       LYS   1   9.575  13.139   1.829
    6    HB3  LYS   1          1HB       LYS   1   9.044  12.306   3.271
    7    HG2  LYS   1          2HG       LYS   1  10.789  13.429   4.546
    8    HG3  LYS   1          1HG       LYS   1  11.281  14.265   3.071
    9    HD2  LYS   1          2HD       LYS   1   9.062  15.287   2.901
   10    HD3  LYS   1          1HD       LYS   1   8.550  14.428   4.348
   11    HE2  LYS   1          2HE       LYS   1  10.749  16.488   4.203
   12    HE3  LYS   1          1HE       LYS   1   9.126  16.761   4.827
   13    HZ1  LYS   1          1HZ       LYS   1  11.161  14.921   5.970
   14    HZ2  LYS   1          2HZ       LYS   1   9.580  15.054   6.516
   15    HZ3  LYS   1          3HZ       LYS   1  10.613  16.364   6.649
   16    H    THR   2           HN       THR   2   8.764  10.553   3.251
   17    HA   THR   2           HA       THR   2   8.854   8.300   1.468
   18    HB   THR   2           HB       THR   2   6.701   7.773   2.762
   19    HG1  THR   2          1HG       THR   2   6.788   8.889   4.870
   20   HG21  THR   2          1HG2      THR   2   8.835   6.666   3.144
   21   HG22  THR   2          2HG2      THR   2   7.993   6.946   4.671
   22   HG23  THR   2          3HG2      THR   2   9.340   7.984   4.197
   23    H    CYS   3           HN       CYS   3   7.338   7.886  -0.060
   24    HA   CYS   3           HA       CYS   3   5.530  10.091  -0.775
   25    HB2  CYS   3          2HB       CYS   3   6.789   8.031  -2.602
   26    HB3  CYS   3          1HB       CYS   3   5.762   9.371  -3.099
   27    H    GLU   4           HN       GLU   4   3.476   9.547  -0.439
   28    HA   GLU   4           HA       GLU   4   2.752   6.717  -0.391
   29    HB2  GLU   4          2HB       GLU   4   2.301   8.148   1.624
   30    HB3  GLU   4          1HB       GLU   4   1.216   9.114   0.638
   31    HG2  GLU   4          2HG       GLU   4  -0.204   7.195   0.294
   32    HG3  GLU   4          1HG       GLU   4   0.885   6.186   1.250
   33    H    ASN   5           HN       ASN   5   1.990   6.031  -2.244
   34    HA   ASN   5           HA       ASN   5   0.170   7.696  -3.818
   35    HB2  ASN   5          2HB       ASN   5   1.363   7.180  -5.903
   36    HB3  ASN   5          1HB       ASN   5   2.394   8.079  -4.800
   37   HD21  ASN   5          1HD2      ASN   5   1.916   5.128  -6.489
   38   HD22  ASN   5          2HD2      ASN   5   3.415   4.394  -6.069
   39    H    LEU   6           HN       LEU   6  -0.700   6.301  -5.673
   40    HA   LEU   6           HA       LEU   6  -2.053   4.216  -4.346
   41    HB2  LEU   6          2HB       LEU   6  -2.062   5.098  -7.186
   42    HB3  LEU   6          1HB       LEU   6  -3.085   3.802  -6.585
   43    HG   LEU   6           HG       LEU   6  -3.151   6.682  -5.680
   44   HD11  LEU   6          1HD1      LEU   6  -4.093   6.271  -7.936
   45   HD12  LEU   6          2HD1      LEU   6  -5.295   6.714  -6.709
   46   HD13  LEU   6          3HD1      LEU   6  -5.139   5.033  -7.205
   47   HD21  LEU   6          1HD2      LEU   6  -4.785   4.299  -4.908
   48   HD22  LEU   6          2HD2      LEU   6  -5.169   5.967  -4.498
   49   HD23  LEU   6          3HD2      LEU   6  -3.709   5.224  -3.856
   50    H    ALA   7           HN       ALA   7  -2.167   2.130  -4.627
   51    HA   ALA   7           HA       ALA   7   0.168   0.692  -5.437
   52    HB1  ALA   7          1HB       ALA   7  -1.147  -1.283  -4.816
   53    HB2  ALA   7          2HB       ALA   7  -2.582  -0.268  -4.651
   54    HB3  ALA   7          3HB       ALA   7  -1.215  -0.045  -3.561
   55    H    ASP   8           HN       ASP   8   0.454  -0.459  -7.268
   56    HA   ASP   8           HA       ASP   8  -1.353   0.168  -9.460
   57    HB2  ASP   8          2HB       ASP   8   0.977   0.609  -9.867
   58    HB3  ASP   8          1HB       ASP   8   1.406  -1.047  -9.452
   59    H    THR   9           HN       THR   9   0.131  -2.782  -8.039
   60    HA   THR   9           HA       THR   9  -1.540  -4.261  -9.881
   61    HB   THR   9           HB       THR   9   0.867  -4.903  -9.678
   62    HG1  THR   9          1HG       THR   9  -0.718  -6.409 -10.368
   63   HG21  THR   9          1HG2      THR   9   0.045  -5.924  -6.961
   64   HG22  THR   9          2HG2      THR   9   1.138  -4.576  -7.268
   65   HG23  THR   9          3HG2      THR   9   1.603  -6.214  -7.742
   66    H    TYR  10           HN       TYR  10  -1.986  -3.044  -6.921
   67    HA   TYR  10           HA       TYR  10  -3.319  -5.223  -5.637
   68    HB2  TYR  10          2HB       TYR  10  -2.440  -3.259  -4.374
   69    HB3  TYR  10          1HB       TYR  10  -3.668  -2.254  -5.130
   70    HD1  TYR  10          1HD       TYR  10  -3.082  -4.976  -2.721
   71    HD2  TYR  10          2HD       TYR  10  -5.949  -2.289  -4.334
   72    HE1  TYR  10          1HE       TYR  10  -4.616  -5.530  -0.892
   73    HE2  TYR  10          2HE       TYR  10  -7.488  -2.834  -2.528
   74    HH   TYR  10           HH       TYR  10  -7.916  -4.539  -0.941
   75    H    LYS  11           HN       LYS  11  -5.090  -6.116  -6.436
   76    HA   LYS  11           HA       LYS  11  -6.890  -4.456  -7.973
   77    HB2  LYS  11          2HB       LYS  11  -6.062  -6.486  -9.037
   78    HB3  LYS  11          1HB       LYS  11  -6.707  -7.451  -7.721
   79    HG2  LYS  11          2HG       LYS  11  -8.953  -6.785  -8.294
   80    HG3  LYS  11          1HG       LYS  11  -8.335  -5.752  -9.581
   81    HD2  LYS  11          2HD       LYS  11  -8.019  -8.750  -9.434
   82    HD3  LYS  11          1HD       LYS  11  -9.190  -7.887 -10.430
   83    HE2  LYS  11          2HE       LYS  11  -7.236  -6.723 -11.510
   84    HE3  LYS  11          1HE       LYS  11  -6.198  -7.837 -10.642
   85    HZ1  LYS  11          1HZ       LYS  11  -7.219  -9.704 -11.753
   86    HZ2  LYS  11          2HZ       LYS  11  -6.695  -8.605 -12.913
   87    HZ3  LYS  11          3HZ       LYS  11  -8.323  -8.694 -12.515
   88    H    GLY  12           HN       GLY  12  -8.720  -3.841  -7.172
   89    HA2  GLY  12          2HA       GLY  12 -10.787  -4.258  -6.128
   90    HA3  GLY  12          1HA       GLY  12  -9.979  -5.379  -5.034
   91    HA   PRO  13           HA       PRO  13 -10.006  -1.307  -2.903
   92    HB2  PRO  13          2HB       PRO  13 -12.215  -1.916  -1.252
   93    HB3  PRO  13          1HB       PRO  13 -12.189  -0.764  -2.586
   94    HG2  PRO  13          2HG       PRO  13 -13.653  -3.143  -2.515
   95    HG3  PRO  13          1HG       PRO  13 -13.294  -2.191  -3.965
   96    HD2  PRO  13          2HD       PRO  13 -11.956  -4.647  -2.919
   97    HD3  PRO  13          1HD       PRO  13 -12.259  -4.154  -4.600
   98    H    CYS  14           HN       CYS  14  -9.813  -0.980  -0.545
   99    HA   CYS  14           HA       CYS  14  -8.436  -3.197   0.673
  100    HB2  CYS  14          2HB       CYS  14  -7.311  -1.097   0.814
  101    HB3  CYS  14          1HB       CYS  14  -8.750  -0.298   1.439
  102    H    PHE  15           HN       PHE  15  -9.436  -4.533   1.911
  103    HA   PHE  15           HA       PHE  15 -11.714  -3.603   3.492
  104    HB2  PHE  15          2HB       PHE  15 -10.922  -6.439   2.744
  105    HB3  PHE  15          1HB       PHE  15 -12.316  -5.992   3.721
  106    HD1  PHE  15          1HD       PHE  15 -11.118  -6.597   0.425
  107    HD2  PHE  15          2HD       PHE  15 -14.072  -4.477   2.639
  108    HE1  PHE  15          1HE       PHE  15 -12.488  -6.378  -1.605
  109    HE2  PHE  15          2HE       PHE  15 -15.438  -4.258   0.621
  110    HZ   PHE  15           HZ       PHE  15 -14.653  -5.208  -1.509
  111    H    THR  16           HN       THR  16  -8.707  -5.453   3.572
  112    HA   THR  16           HA       THR  16  -8.602  -5.055   6.469
  113    HB   THR  16           HB       THR  16  -7.013  -7.019   4.835
  114    HG1  THR  16          1HG       THR  16  -8.578  -8.476   5.107
  115   HG21  THR  16          1HG2      THR  16  -6.124  -6.507   7.053
  116   HG22  THR  16          2HG2      THR  16  -6.725  -8.165   7.000
  117   HG23  THR  16          3HG2      THR  16  -7.680  -6.907   7.781
  118    H    THR  17           HN       THR  17  -7.311  -3.334   6.860
  119    HA   THR  17           HA       THR  17  -5.667  -2.104   4.975
  120    HB   THR  17           HB       THR  17  -5.610  -1.829   7.989
  121    HG1  THR  17          1HG       THR  17  -7.386  -1.117   6.048
  122   HG21  THR  17          1HG2      THR  17  -4.697   0.092   5.823
  123   HG22  THR  17          2HG2      THR  17  -3.630  -0.813   6.896
  124   HG23  THR  17          3HG2      THR  17  -4.703   0.422   7.557
  125    H    GLY  18           HN       GLY  18  -4.864  -4.481   7.451
  126    HA2  GLY  18          2HA       GLY  18  -2.062  -4.266   7.255
  127    HA3  GLY  18          1HA       GLY  18  -2.971  -5.615   7.927
  128    H    SER  19           HN       SER  19  -4.468  -5.991   5.416
  129    HA   SER  19           HA       SER  19  -2.618  -7.744   4.128
  130    HB2  SER  19          2HB       SER  19  -5.061  -8.270   4.344
  131    HB3  SER  19          1HB       SER  19  -5.414  -6.921   3.269
  132    HG   SER  19           HG       SER  19  -4.113  -9.352   2.710
  133    H    CYS  20           HN       CYS  20  -4.088  -4.635   3.509
  134    HA   CYS  20           HA       CYS  20  -3.099  -4.190   0.919
  135    HB2  CYS  20          2HB       CYS  20  -4.915  -2.875   1.812
  136    HB3  CYS  20          1HB       CYS  20  -3.910  -2.306   3.135
  137    H    ASP  21           HN       ASP  21  -1.850  -3.271   4.130
  138    HA   ASP  21           HA       ASP  21   0.488  -1.989   3.271
  139    HB2  ASP  21          2HB       ASP  21  -0.245  -1.708   5.522
  140    HB3  ASP  21          1HB       ASP  21  -0.155  -3.424   5.874
  141    H    ASP  22           HN       ASP  22  -0.136  -5.342   4.086
  142    HA   ASP  22           HA       ASP  22   2.429  -6.429   3.710
  143    HB2  ASP  22          2HB       ASP  22   0.545  -7.677   4.712
  144    HB3  ASP  22          1HB       ASP  22  -0.256  -7.656   3.155
  145    H    HIS  23           HN       HIS  23  -0.225  -5.890   1.455
  146    HA   HIS  23           HA       HIS  23   0.933  -7.118  -0.791
  147    HB2  HIS  23          2HB       HIS  23  -1.493  -6.592  -0.573
  148    HB3  HIS  23          1HB       HIS  23  -1.111  -4.883  -0.696
  149    HD1  HIS  23          1HD       HIS  23  -1.852  -7.848  -2.747
  150    HD2  HIS  23          2HD       HIS  23  -0.101  -4.119  -3.282
  151    HE1  HIS  23          1HE       HIS  23  -1.827  -7.422  -5.238
  152    H    CYS  24           HN       CYS  24   0.877  -3.755   0.311
  153    HA   CYS  24           HA       CYS  24   2.265  -2.662  -1.801
  154    HB2  CYS  24          2HB       CYS  24   2.203  -1.792   1.082
  155    HB3  CYS  24          1HB       CYS  24   2.893  -0.831  -0.216
  156    H    LYS  25           HN       LYS  25   3.528  -4.355   1.012
  157    HA   LYS  25           HA       LYS  25   6.246  -3.591   0.445
  158    HB2  LYS  25          2HB       LYS  25   5.180  -5.715   2.293
  159    HB3  LYS  25          1HB       LYS  25   6.850  -5.177   2.218
  160    HG2  LYS  25          2HG       LYS  25   6.148  -2.933   2.878
  161    HG3  LYS  25          1HG       LYS  25   4.479  -3.500   2.978
  162    HD2  LYS  25          2HD       LYS  25   5.186  -5.145   4.677
  163    HD3  LYS  25          1HD       LYS  25   6.814  -4.469   4.610
  164    HE2  LYS  25          2HE       LYS  25   5.967  -2.301   5.297
  165    HE3  LYS  25          1HE       LYS  25   4.328  -2.939   5.327
  166    HZ1  LYS  25          1HZ       LYS  25   5.221  -2.865   7.517
  167    HZ2  LYS  25          2HZ       LYS  25   6.569  -3.765   7.075
  168    HZ3  LYS  25          3HZ       LYS  25   5.029  -4.482   7.070
  169    H    ASN  26           HN       ASN  26   4.270  -6.417  -0.149
  170    HA   ASN  26           HA       ASN  26   6.589  -7.845  -1.191
  171    HB2  ASN  26          2HB       ASN  26   3.752  -8.770  -0.847
  172    HB3  ASN  26          1HB       ASN  26   5.033  -9.769  -1.519
  173   HD21  ASN  26          1HD2      ASN  26   3.685  -8.369   1.326
  174   HD22  ASN  26          2HD2      ASN  26   4.683  -9.185   2.456
  175    H    LYS  27           HN       LYS  27   3.449  -6.789  -2.438
  176    HA   LYS  27           HA       LYS  27   4.135  -7.812  -5.055
  177    HB2  LYS  27          2HB       LYS  27   1.672  -6.355  -4.111
  178    HB3  LYS  27          1HB       LYS  27   1.872  -7.124  -5.675
  179    HG2  LYS  27          2HG       LYS  27   1.890  -8.550  -3.017
  180    HG3  LYS  27          1HG       LYS  27   0.524  -8.469  -4.126
  181    HD2  LYS  27          2HD       LYS  27   1.890  -9.593  -5.836
  182    HD3  LYS  27          1HD       LYS  27   3.209  -9.730  -4.672
  183    HE2  LYS  27          2HE       LYS  27   1.987 -11.822  -4.780
  184    HE3  LYS  27          1HE       LYS  27   1.750 -11.062  -3.209
  185    HZ1  LYS  27          1HZ       LYS  27  -0.315 -11.946  -4.073
  186    HZ2  LYS  27          2HZ       LYS  27  -0.182 -11.042  -5.471
  187    HZ3  LYS  27          3HZ       LYS  27  -0.435 -10.269  -4.001
  188    H    GLU  28           HN       GLU  28   3.439  -4.680  -3.574
  189    HA   GLU  28           HA       GLU  28   4.137  -3.267  -5.982
  190    HB2  GLU  28          2HB       GLU  28   3.623  -2.289  -3.176
  191    HB3  GLU  28          1HB       GLU  28   3.950  -1.240  -4.538
  192    HG2  GLU  28          2HG       GLU  28   1.644  -3.160  -4.479
  193    HG3  GLU  28          1HG       GLU  28   1.533  -1.483  -3.944
  194    H    HIS  29           HN       HIS  29   5.754  -4.493  -3.258
  195    HA   HIS  29           HA       HIS  29   7.934  -4.660  -2.637
  196    HB2  HIS  29          2HB       HIS  29   8.462  -3.415  -5.345
  197    HB3  HIS  29          1HB       HIS  29   9.724  -3.958  -4.255
  198    HD1  HIS  29          1HD       HIS  29  10.169  -6.499  -4.157
  199    HD2  HIS  29          2HD       HIS  29   6.989  -5.420  -6.596
  200    HE1  HIS  29          1HE       HIS  29   9.629  -8.537  -5.538
  201    H    LEU  30           HN       LEU  30   6.389  -2.353  -1.871
  202    HA   LEU  30           HA       LEU  30   8.465  -0.288  -1.793
  203    HB2  LEU  30          2HB       LEU  30   5.518  -0.015  -1.246
  204    HB3  LEU  30          1HB       LEU  30   6.683   1.289  -1.324
  205    HG   LEU  30           HG       LEU  30   5.742  -0.442  -3.604
  206   HD11  LEU  30          1HD1      LEU  30   4.858   1.625  -4.512
  207   HD12  LEU  30          2HD1      LEU  30   5.347   2.483  -3.049
  208   HD13  LEU  30          3HD1      LEU  30   4.136   1.202  -2.967
  209   HD21  LEU  30          1HD2      LEU  30   7.831   1.755  -3.654
  210   HD22  LEU  30          2HD2      LEU  30   7.118   0.992  -5.068
  211   HD23  LEU  30          3HD2      LEU  30   8.091   0.036  -3.957
  212    H    ARG  31           HN       ARG  31   8.079   1.144   0.255
  213    HA   ARG  31           HA       ARG  31   9.024  -0.201   2.488
  214    HB2  ARG  31          2HB       ARG  31   9.466   2.119   2.228
  215    HB3  ARG  31          1HB       ARG  31   7.759   2.505   2.150
  216    HG2  ARG  31          2HG       ARG  31   7.552   1.858   4.533
  217    HG3  ARG  31          1HG       ARG  31   9.302   1.611   4.578
  218    HD2  ARG  31          2HD       ARG  31   9.678   3.930   3.995
  219    HD3  ARG  31          1HD       ARG  31   7.956   4.178   3.782
  220    HE   ARG  31           HE       ARG  31   7.847   3.544   6.238
  221   HH11  ARG  31          1HH1      ARG  31  10.584   5.333   4.812
  222   HH12  ARG  31          2HH1      ARG  31  10.841   6.294   6.181
  223   HH21  ARG  31          1HH2      ARG  31   8.205   4.922   8.103
  224   HH22  ARG  31          2HH2      ARG  31   9.470   6.063   8.094
  225    H    SER  32           HN       SER  32   5.748   1.198   2.083
  226    HA   SER  32           HA       SER  32   4.541  -0.900   3.648
  227    HB2  SER  32          2HB       SER  32   4.646   1.938   4.728
  228    HB3  SER  32          1HB       SER  32   3.646   0.646   5.393
  229    HG   SER  32           HG       SER  32   6.197  -0.143   5.098
  230    H    GLY  33           HN       GLY  33   2.052   0.243   4.173
  231    HA2  GLY  33          2HA       GLY  33   1.230   2.006   2.161
  232    HA3  GLY  33          1HA       GLY  33   0.772   0.339   1.766
  233    H    ARG  34           HN       ARG  34  -1.161   2.226   2.183
  234    HA   ARG  34           HA       ARG  34  -2.448   1.090   4.484
  235    HB2  ARG  34          2HB       ARG  34  -2.991   3.227   5.507
  236    HB3  ARG  34          1HB       ARG  34  -1.258   2.976   5.474
  237    HG2  ARG  34          2HG       ARG  34  -0.953   4.519   3.764
  238    HG3  ARG  34          1HG       ARG  34  -2.681   4.596   3.391
  239    HD2  ARG  34          2HD       ARG  34  -1.341   5.551   5.923
  240    HD3  ARG  34          1HD       ARG  34  -2.003   6.568   4.639
  241    HE   ARG  34           HE       ARG  34  -3.997   4.820   5.633
  242   HH11  ARG  34          1HH1      ARG  34  -2.233   7.708   6.605
  243   HH12  ARG  34          2HH1      ARG  34  -3.470   8.333   7.569
  244   HH21  ARG  34          1HH2      ARG  34  -5.704   5.630   6.953
  245   HH22  ARG  34          2HH2      ARG  34  -5.523   7.096   7.778
  246    H    CYS  35           HN       CYS  35  -4.677   2.325   4.669
  247    HA   CYS  35           HA       CYS  35  -5.750   2.420   1.939
  248    HB2  CYS  35          2HB       CYS  35  -7.184   1.608   4.472
  249    HB3  CYS  35          1HB       CYS  35  -7.728   1.386   2.808
  250    H    ARG  36           HN       ARG  36  -7.012   4.116   1.445
  251    HA   ARG  36           HA       ARG  36  -7.311   6.118   3.549
  252    HB2  ARG  36          2HB       ARG  36  -6.903   6.450   0.609
  253    HB3  ARG  36          1HB       ARG  36  -7.482   7.773   1.620
  254    HG2  ARG  36          2HG       ARG  36  -4.847   6.318   1.888
  255    HG3  ARG  36          1HG       ARG  36  -5.080   7.941   1.241
  256    HD2  ARG  36          2HD       ARG  36  -5.560   7.021   4.084
  257    HD3  ARG  36          1HD       ARG  36  -4.300   8.102   3.514
  258    HE   ARG  36           HE       ARG  36  -6.950   9.030   2.930
  259   HH11  ARG  36          1HH1      ARG  36  -4.294   9.235   5.250
  260   HH12  ARG  36          2HH1      ARG  36  -4.966  10.498   6.145
  261   HH21  ARG  36          1HH2      ARG  36  -7.905  10.737   4.136
  262   HH22  ARG  36          2HH2      ARG  36  -7.070  11.416   5.460
  263    H    ASP  37           HN       ASP  37  -9.084   7.820   2.658
  264    HA   ASP  37           HA       ASP  37 -11.507   6.827   3.474
  265    HB2  ASP  37          2HB       ASP  37 -11.068   9.196   1.653
  266    HB3  ASP  37          1HB       ASP  37 -12.443   8.934   2.711
  267    H    ASP  38           HN       ASP  38 -10.229   6.935   0.217
  268    HA   ASP  38           HA       ASP  38 -12.733   6.318  -1.112
  269    HB2  ASP  38          2HB       ASP  38  -9.912   6.069  -2.175
  270    HB3  ASP  38          1HB       ASP  38 -11.371   5.889  -3.129
  271    H    PHE  39           HN       PHE  39 -10.782   4.491   0.789
  272    HA   PHE  39           HA       PHE  39 -10.457   2.343   1.232
  273    HB2  PHE  39          2HB       PHE  39 -12.694   1.874  -0.751
  274    HB3  PHE  39          1HB       PHE  39 -11.910   0.568   0.126
  275    HD1  PHE  39          1HD       PHE  39 -14.298   3.275   0.277
  276    HD2  PHE  39          2HD       PHE  39 -12.135   0.424   2.582
  277    HE1  PHE  39          1HE       PHE  39 -15.842   3.617   2.157
  278    HE2  PHE  39          2HE       PHE  39 -13.674   0.769   4.458
  279    HZ   PHE  39           HZ       PHE  39 -15.534   2.370   4.242
  280    H    ARG  40           HN       ARG  40  -9.338   3.761  -1.218
  281    HA   ARG  40           HA       ARG  40  -8.315   1.439  -2.638
  282    HB2  ARG  40          2HB       ARG  40  -9.016   3.430  -3.963
  283    HB3  ARG  40          1HB       ARG  40  -7.807   4.397  -3.133
  284    HG2  ARG  40          2HG       ARG  40  -7.009   3.810  -5.320
  285    HG3  ARG  40          1HG       ARG  40  -6.064   2.964  -4.092
  286    HD2  ARG  40          2HD       ARG  40  -7.453   0.952  -4.461
  287    HD3  ARG  40          1HD       ARG  40  -8.285   1.807  -5.762
  288    HE   ARG  40           HE       ARG  40  -5.691   2.021  -6.422
  289   HH11  ARG  40          1HH1      ARG  40  -7.813  -0.788  -5.719
  290   HH12  ARG  40          2HH1      ARG  40  -6.912  -1.825  -6.707
  291   HH21  ARG  40          1HH2      ARG  40  -4.445   0.472  -7.694
  292   HH22  ARG  40          2HH2      ARG  40  -5.026  -1.129  -7.830
  293    H    CYS  41           HN       CYS  41  -6.027   1.042  -2.789
  294    HA   CYS  41           HA       CYS  41  -4.722   1.575  -0.302
  295    HB2  CYS  41          2HB       CYS  41  -4.172  -0.291  -2.558
  296    HB3  CYS  41          1HB       CYS  41  -2.937   0.044  -1.347
  297    H    TRP  42           HN       TRP  42  -3.296   2.902   0.097
  298    HA   TRP  42           HA       TRP  42  -1.826   4.266  -2.028
  299    HB2  TRP  42          2HB       TRP  42  -3.209   5.168   0.391
  300    HB3  TRP  42          1HB       TRP  42  -1.557   5.737   0.298
  301    HD1  TRP  42          1HD       TRP  42  -1.005   7.564  -1.556
  302    HE1  TRP  42          1HE       TRP  42  -2.480   9.179  -2.877
  303    HE3  TRP  42          3HE       TRP  42  -5.533   5.258  -0.919
  304    HZ2  TRP  42          2HZ       TRP  42  -5.202   9.459  -3.576
  305    HZ3  TRP  42          3HZ       TRP  42  -7.524   6.287  -1.950
  306    HH2  TRP  42          2HH       TRP  42  -7.353   8.332  -3.249
  307    H    CYS  43           HN       CYS  43   0.057   3.250  -2.110
  308    HA   CYS  43           HA       CYS  43   1.195   2.017   0.239
  309    HB2  CYS  43          2HB       CYS  43   2.110   1.997  -2.636
  310    HB3  CYS  43          1HB       CYS  43   2.809   1.048  -1.325
  311    H    THR  44           HN       THR  44   3.261   2.549   0.974
  312    HA   THR  44           HA       THR  44   4.090   5.285   0.317
  313    HB   THR  44           HB       THR  44   4.471   3.765   2.895
  314    HG1  THR  44          1HG       THR  44   2.292   4.929   1.820
  315   HG21  THR  44          1HG2      THR  44   6.038   5.621   2.527
  316   HG22  THR  44          2HG2      THR  44   4.895   6.018   3.809
  317   HG23  THR  44          3HG2      THR  44   4.687   6.706   2.197
  318    H    LYS  45           HN       LYS  45   6.035   5.383  -0.602
  319    HA   LYS  45           HA       LYS  45   7.959   3.247  -0.002
  320    HB2  LYS  45          2HB       LYS  45   8.925   3.513  -2.230
  321    HB3  LYS  45          1HB       LYS  45   7.230   3.063  -2.310
  322    HG2  LYS  45          2HG       LYS  45   6.587   5.242  -2.999
  323    HG3  LYS  45          1HG       LYS  45   8.187   5.896  -2.634
  324    HD2  LYS  45          2HD       LYS  45   9.164   4.489  -4.389
  325    HD3  LYS  45          1HD       LYS  45   7.571   3.829  -4.749
  326    HE2  LYS  45          2HE       LYS  45   8.250   6.756  -4.938
  327    HE3  LYS  45          1HE       LYS  45   8.376   5.644  -6.296
  328    HZ1  LYS  45          1HZ       LYS  45   6.304   6.883  -6.270
  329    HZ2  LYS  45          2HZ       LYS  45   5.811   6.175  -4.824
  330    HZ3  LYS  45          3HZ       LYS  45   6.050   5.245  -6.203
  331    H    ASN  46           HN       ASN  46  10.193   3.916  -0.120
  332    HA   ASN  46           HA       ASN  46  10.575   6.568   0.962
  333    HB2  ASN  46          2HB       ASN  46  12.502   4.291   0.433
  334    HB3  ASN  46          1HB       ASN  46  13.003   5.853   1.058
  335   HD21  ASN  46          1HD2      ASN  46  13.170   3.186   2.214
  336   HD22  ASN  46          2HD2      ASN  46  12.387   3.283   3.739
  337    H    CYS  47           HN       CYS  47  11.291   8.259  -0.163
  338    HA   CYS  47           HA       CYS  47  12.181   7.756  -2.883
  339    HB2  CYS  47          2HB       CYS  47  10.712  10.131  -1.712
  340    HB3  CYS  47          1HB       CYS  47  11.375  10.085  -3.344