*HEADER    ANTIBIOTIC                              20-OCT-02   1N1U              
*TITLE     NMR STRUCTURE OF [ALA1,15]KALATA B1                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KALATA B1;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE HAS CYS1 AND CYS15, OF THE              
*SOURCE   4 NATURALLY OCCURRING KALATA B1 PEPTIDE, REPLACED WITH ALA             
*SOURCE   5 RESIDUES.                                                            
*KEYWDS    CYSTINE KNOT, TRIPLE STRANDED BETA SHEET, CYCLIC PEPTIDE              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    N.L.DALY, R.J.CLARK, D.J.CRAIK                                        
*REVDAT   1   25-FEB-03 1N1U    0                                                


--------------------------------------------------------------------------------------
assign (resid   1 and name   HN)   (resid  29 and name   HA)   2.100    0.300    0.300  
assign (resid   1 and name   HN)   (resid  29 and name   HB)   3.355    1.555    1.555  
assign (resid   1 and name   HN)   (resid  29 and name HG1#)   3.635    1.835    1.835  
assign (resid   1 and name   HN)   (resid  29 and name HG2#)   3.635    1.835    1.835  
assign (resid   1 and name   HN)   (resid  29 and name  HG*)   3.275    1.475    1.475  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   2.720    0.920    0.920  
assign (resid   1 and name  HB#)   (resid   2 and name   HN)   3.000    1.200    1.200  
assign (resid   2 and name   HN)   (resid   3 and name   HN)   2.380    0.580    0.580  
assign (resid   2 and name   HN)   (resid   4 and name HG2#)   4.165    2.365    2.365  
assign (resid   2 and name   HN)   (resid  21 and name  HG*)   4.710    2.910    2.910  
assign (resid   3 and name   HN)   (resid  21 and name   HB)   3.650    1.850    1.850  
assign (resid   3 and name   HN)   (resid  22 and name  HB2)   3.650    1.850    1.850  
assign (resid   3 and name   HN)   (resid  29 and name  HG*)   4.170    2.370    2.370  
assign (resid   3 and name  HB2)   (resid  22 and name  HB2)    0 0 3.5  
assign (resid   3 and name  HB2)   (resid  29 and name HG1#)   4.670    2.870    2.870  
assign (resid   3 and name  HB2)   (resid  29 and name HG2#)   4.670    2.870    2.870  
assign (resid   3 and name  HB1)   (resid  22 and name  HB2)    0 0 3.5  
assign (resid   3 and name  HB1)   (resid  29 and name HG1#)   4.670    2.870    2.870  
assign (resid   3 and name  HB1)   (resid  29 and name HG2#)   4.670    2.870    2.870  
assign (resid   3 and name  HB#)   (resid  22 and name   HN)   4.025    2.225    2.225  
assign (resid   3 and name  HB#)   (resid  22 and name  HB2)   2.315    0.515    0.515  
assign (resid   3 and name  HB#)   (resid  22 and name  HB1)   3.405    1.605    1.605  
assign (resid   3 and name  HB#)   (resid  29 and name  HG*)   3.755    1.955    1.955  
assign (resid   3 and name  HG2)   (resid  22 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name  HG2)   (resid  29 and name HG1#)   5.025    3.225    3.225  
assign (resid   3 and name  HG2)   (resid  29 and name HG2#)   5.025    3.225    3.225  
assign (resid   3 and name  HG1)   (resid  22 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name  HG1)   (resid  29 and name HG1#)   5.025    3.225    3.225  
assign (resid   3 and name  HG1)   (resid  29 and name HG2#)   5.025    3.225    3.225  
assign (resid   3 and name  HG#)   (resid  22 and name  HB2)   3.125    1.325    1.325  
assign (resid   3 and name  HG#)   (resid  22 and name  HB1)   3.345    1.545    1.545  
assign (resid   3 and name  HG#)   (resid  29 and name  HG*)   4.095    2.295    2.295  
assign (resid   4 and name   HN)   (resid   6 and name  HG*)   4.710    2.910    2.910  
assign (resid   4 and name   HA)   (resid   4 and name   HB)   2.365    0.565    0.565  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.100    0.300    0.300  
assign (resid   4 and name   HA)   (resid  21 and name   HA)   2.440    0.640    0.640  
assign (resid   4 and name   HA)   (resid  21 and name   HB)   3.650    1.850    1.850  
assign (resid   4 and name   HA)   (resid  22 and name   HN)   2.425    0.625    0.625  
assign (resid   4 and name   HB)   (resid   5 and name   HN)   2.145    0.345    0.345  
assign (resid   4 and name   HB)   (resid   6 and name   HN)   2.720    0.920    0.920  
assign (resid   4 and name   HB)   (resid  20 and name  HB2)   3.075    1.275    1.275  
assign (resid   4 and name   HB)   (resid  20 and name  HB1)   3.650    1.850    1.850  
assign (resid   4 and name HG2#)   (resid   5 and name   HN)   3.250    1.450    1.450  
assign (resid   4 and name HG2#)   (resid   6 and name   HN)   4.165    2.365    2.365  
assign (resid   4 and name HG2#)   (resid  20 and name  HB2)   3.825    2.025    2.025  
assign (resid   4 and name HG2#)   (resid  20 and name  HB1)   4.055    2.255    2.255  
assign (resid   4 and name HG2#)   (resid  21 and name   HN)   4.165    2.365    2.365  
assign (resid   4 and name HG2#)   (resid  21 and name   HB)   4.165    2.365    2.365  
assign (resid   4 and name HG2#)   (resid  22 and name   HN)   4.100    2.300    2.300  
assign (resid   4 and name HA  )   (resid  21 and name   HG*)  0 0 6.0
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.650    0.850    0.850  
assign (resid   5 and name   HN)   (resid   6 and name  HG*)   4.665    2.865    2.865  
assign (resid   5 and name   HN)   (resid  20 and name   HA)   2.985    1.185    1.185  
assign (resid   5 and name   HN)   (resid  20 and name  HB2)   3.570    1.770    1.770  
assign (resid   5 and name   HN)   (resid  20 and name  HB1)   3.650    1.850    1.850  
assign (resid   5 and name   HN)   (resid  21 and name   HN)   2.780    0.980    0.980  
assign (resid   5 and name   HN)   (resid  21 and name  HG*)   4.710    2.910    2.910  
assign (resid   5 and name   HN)   (resid  22 and name  HB2)   3.650    1.850    1.850  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.250    0.450    0.450  
assign (resid   5 and name   HA)   (resid   7 and name   HN)   3.245    1.445    1.445  
assign (resid   5 and name   HA)   (resid   9 and name   HN)   2.920    1.120    1.120  
assign (resid   5 and name  HB#)   (resid   6 and name   HN)   3.280    1.480    1.480  
assign (resid   5 and name  HB#)   (resid   8 and name   HN)   3.175    1.375    1.375  
assign (resid   5 and name  HB#)   (resid   9 and name   HN)   3.265    1.465    1.465  
assign (resid   5 and name  HB#)   (resid  10 and name   HN)   4.090    2.290    2.290  
assign (resid   5 and name  HB#)   (resid  18 and name   HN)   4.090    2.290    2.290  
assign (resid   5 and name  HB#)   (resid  19 and name  HD1)   3.885    2.085    2.085  
assign (resid   5 and name  HB#)   (resid  19 and name  HE3)   4.090    2.290    2.290  
assign (resid   5 and name  HB#)   (resid  19 and name  HE1)   4.090    2.290    2.290  
assign (resid   6 and name   HN)   (resid   9 and name   HN)   3.400    1.600    1.600  
assign (resid   6 and name   HA)   (resid   7 and name   HN)    0 0 3.5  
assign (resid   6 and name   HA)   (resid   8 and name   HN)   2.795    0.995    0.995  
assign (resid   6 and name   HA)   (resid  19 and name  HD1)   3.400    1.600    1.600  
assign (resid   6 and name   HA)   (resid  19 and name  HE1)   2.625    0.825    0.825  
assign (resid   6 and name   HA)   (resid  19 and name  HZ2)   3.355    1.555    1.555  
assign (resid   6 and name   HA)   (resid  20 and name  HB2)   3.620    1.820    1.820  
assign (resid   6 and name   HA)   (resid  20 and name  HB1)   3.465    1.665    1.665  
assign (resid   6 and name   HB)   (resid   7 and name   HN)   0 0 5.0  
assign (resid   6 and name   HB)   (resid  19 and name  HZ2)   3.650    1.850    1.850  
assign (resid   6 and name  HG*)   (resid   7 and name   HN)   0 0 7.5  
assign (resid   6 and name  HG*)   (resid  19 and name  HE1)   4.710    2.910    2.910  
assign (resid   6 and name  HG*)   (resid  19 and name  HZ2)   3.830    2.030    2.030  
assign (resid   6 and name  HG*)   (resid  19 and name  HH2)    0 0 6.0
assign (resid   6 and name  HG*)   (resid  20 and name   HA)   4.710    2.910    2.910  
assign (resid   6 and name  HG*)   (resid  20 and name  HB2)   3.920    2.120    2.120  
assign (resid   6 and name  HG*)   (resid  20 and name  HB1)   4.710    2.910    2.910  
assign (resid   6 and name  HG*)   (resid  20 and name  HD2)   4.710    2.910    2.910  
assign (resid   6 and name  HG*)   (resid  20 and name  HD1)   4.710    2.910    2.910  
assign (resid   6 and name   HN)   (resid   8 and name   HN) 0 0 5.0
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.455    0.655    0.655  
assign (resid   7 and name   HN)   (resid   9 and name   HN)   3.090    1.290    1.290  
assign (resid   7 and name  HA1)   (resid   8 and name   HN)   2.455    0.655    0.655  
assign (resid   7 and name  HA2)   (resid   8 and name   HN)   2.455    0.655    0.655  
assign (resid   7 and name  HA#)   (resid   9 and name   HN)   3.390    1.590    1.590  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   2.285    0.485    0.485  
assign (resid   8 and name   HN)   (resid   9 and name HG2#)   4.165    2.365    2.365  
assign (resid   8 and name   HN)   (resid  19 and name  HD1)   3.465    1.665    1.665  
assign (resid   8 and name  HA1)   (resid   9 and name   HN)   2.535    0.735    0.735  
assign (resid   8 and name  HA1)   (resid  19 and name  HD1)   3.650    1.850    1.850  
assign (resid   8 and name  HA2)   (resid   9 and name   HN)   2.535    0.735    0.735  
assign (resid   8 and name  HA2)   (resid  19 and name  HD1)   3.650    1.850    1.850  
assign (resid   8 and name  HA#)   (resid  19 and name  HD1)   3.320    1.520    1.520  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   3.075    1.275    1.275  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.335    0.535    0.535  
assign (resid   9 and name   HB)   (resid  10 and name   HN)   2.335    0.535    0.535  
assign (resid   9 and name HG2#)   (resid  10 and name   HN)   3.235    1.435    1.435  
assign (resid  10 and name   HN)   (resid  15 and name  HB#)   4.165    2.365    2.365  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.225    0.425    0.425  
assign (resid  10 and name   HA)   (resid  12 and name   HN)   2.935    1.135    1.135  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   2.470    0.670    0.670  
assign (resid  10 and name  HB2)   (resid  12 and name   HN)   2.520    0.720    0.720  
assign (resid  10 and name  HB2)   (resid  15 and name   HN)   3.650    1.850    1.850  
assign (resid  10 and name  HB2)   (resid  15 and name  HB#)   2.830    1.030    1.030  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   2.860    1.060    1.060  
assign (resid  10 and name  HB1)   (resid  12 and name   HN)   2.905    1.105    1.105  
assign (resid  10 and name  HB1)   (resid  15 and name   HN)   3.650    1.850    1.850  
assign (resid  10 and name  HB1)   (resid  15 and name  HB#)   2.955    1.155    1.155  
assign (resid  10 and name  HB1)   (resid  22 and name  HB1)   2.640    0.840    0.840  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.270    0.470    0.470  
assign (resid  11 and name   HN)   (resid  12 and name HG2#)   3.900    2.100    2.100  
assign (resid  12 and name   HN)   (resid  13 and name  HD#)   4.090    2.290    2.290  
assign (resid  12 and name   HN)   (resid  15 and name  HB#)   3.530    1.730    1.730  
assign (resid  12 and name   HA)   (resid  13 and name  HG2)   3.650    1.850    1.850  
assign (resid  12 and name   HA)   (resid  13 and name  HG1)   3.650    1.850    1.850  
assign (resid  12 and name   HA)   (resid  13 and name  HD2)   2.160    0.360    0.360  
assign (resid  12 and name   HA)   (resid  13 and name  HD1)   2.160    0.360    0.360  
assign (resid  12 and name   HA)   (resid  13 and name  HD#)   2.050    0.250    0.250  
assign (resid  12 and name   HB)   (resid  15 and name   HN)   3.170    1.370    1.370  
assign (resid  12 and name   HB)   (resid  15 and name  HB#)   2.875    1.075    1.075  
assign (resid  12 and name   HB)   (resid  29 and name HG1#)   3.530    1.730    1.730  
assign (resid  12 and name   HB)   (resid  29 and name HG2#)   3.530    1.730    1.730  
assign (resid  12 and name   HB)   (resid  29 and name  HG*)   3.370    1.570    1.570  
assign (resid  12 and name HG2#)   (resid  13 and name  HD2)   4.165    2.365    2.365  
assign (resid  12 and name HG2#)   (resid  13 and name  HD1)   4.165    2.365    2.365  
assign (resid  12 and name HG2#)   (resid  13 and name  HD#)   3.960    2.160    2.160  
assign (resid  12 and name HG2#)   (resid  14 and name   HN)   4.165    2.365    2.365  
assign (resid  12 and name HG2#)   (resid  24 and name   HE)   4.165    2.365    2.365  
assign (resid  12 and name HG2#)   (resid  24 and name HD2 )   0 0 6.5
assign (resid  12 and name HG2#)   (resid  24 and name HD1 )  0 0 6.5
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.100    0.300    0.300  
assign (resid  13 and name   HA)   (resid  15 and name   HN)   2.780    0.980    0.980  
assign (resid  13 and name  HB2)   (resid  14 and name   HN)   2.795    0.995    0.995  
assign (resid  13 and name  HB1)   (resid  14 and name   HN)   2.890    1.090    1.090  
assign (resid  13 and name  HG2)   (resid  14 and name   HN)   3.650    1.850    1.850  
assign (resid  13 and name  HG1)   (resid  14 and name   HN)   3.650    1.850    1.850  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.365    0.565    0.565  
assign (resid  14 and name   HN)   (resid  15 and name  HB#)   4.165    2.365    2.365  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.485    0.685    0.685  
assign (resid  15 and name   HA)   (resid  23 and name   HN)   3.650    1.850    1.850  
assign (resid  15 and name   HA)   (resid  24 and name   HA)   3.450    1.650    1.650  
assign (resid  15 and name   HA)   (resid  24 and name  HB#)   3.035    1.235    1.235  
assign (resid  15 and name   HA)   (resid  24 and name  HG2)   3.355    1.555    1.555  
assign (resid  15 and name   HA)   (resid  24 and name  HG1)   3.355    1.555    1.555  
assign (resid  15 and name   HA)   (resid  24 and name  HG#)   3.215    1.415    1.415  
assign (resid  15 and name   HA)   (resid  24 and name  HD2)   3.650    1.850    1.850  
assign (resid  15 and name   HA)   (resid  24 and name  HD1)   3.650    1.850    1.850  
assign (resid  15 and name   HA)   (resid  29 and name  HG*)   4.880    3.080    3.080  
assign (resid  15 and name  HB#)   (resid  22 and name   HA)   3.590    1.790    1.790  
assign (resid  15 and name  HB#)   (resid  22 and name  HB2)   3.450    1.650    1.650  
assign (resid  15 and name  HB#)   (resid  22 and name  HB1)   2.830    1.030    1.030  
assign (resid  15 and name  HB#)   (resid  23 and name   HN)   4.165    2.365    2.365  
assign (resid  15 and name  HB#)   (resid  24 and name   HN)   4.165    2.365    2.365  
assign (resid  15 and name  HB#)   (resid  24 and name   HA)   4.165    2.365    2.365  
assign (resid  15 and name  HB#)   (resid  24 and name   HD2)  0 0 6.5
assign (resid  15 and name  HB#)   (resid  24 and name   HD1) 0 0 6.5
assign (resid  16 and name   HN)   (resid  22 and name   HA)   3.650    1.850    1.850  
assign (resid  16 and name   HN)   (resid  24 and name   HA)   3.605    1.805    1.805  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.180    0.380    0.380  
assign (resid  16 and name   HB)   (resid  17 and name   HN)   2.610    0.810    0.810  
assign (resid  16 and name   HB)   (resid  23 and name   HN)   3.650    1.850    1.850  
assign (resid  16 and name HG2#)   (resid  17 and name   HN)   3.340    1.540    1.540  
assign (resid  16 and name HG2#)   (resid  18 and name   HN)   4.165    2.365    2.365  
assign (resid  16 and name HG2#)   (resid  23 and name   HN)   4.165    2.365    2.365  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.210    0.410    0.410  
assign (resid  17 and name   HA)   (resid  22 and name   HA)   2.765    0.965    0.965  
assign (resid  17 and name   HA)   (resid  23 and name   HN)   3.555    1.755    1.755  
assign (resid  17 and name  HB2)   (resid  18 and name   HN)   2.970    1.170    1.170  
assign (resid  17 and name  HB1)   (resid  18 and name   HN)   2.935    1.135    1.135  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   3.400    1.600    1.600  
assign (resid  18 and name   HN)   (resid  21 and name   HN)   2.920    1.120    1.120  
assign (resid  18 and name   HN)   (resid  21 and name   HB)   3.555    1.755    1.755  
assign (resid  18 and name   HN)   (resid  21 and name  HG*)   4.710    2.910    2.910  
assign (resid  18 and name   HN)   (resid  22 and name   HN)   3.340    1.540    1.540  
assign (resid  18 and name   HN)   (resid  22 and name   HA)   2.550    0.750    0.750  
assign (resid  18 and name   HN)   (resid  23 and name HG2#)   3.930    2.130    2.130  
assign (resid  18 and name   HA)   (resid  19 and name   HN)   2.250    0.450    0.450  
assign (resid  18 and name   HA)   (resid  19 and name  HB#)   3.330    1.530    1.530  
assign (resid  18 and name   HA)   (resid  21 and name   HN)   3.110    1.310    1.310  
assign (resid  18 and name  HB2)   (resid  19 and name   HN)    0 0 5.0 
assign (resid  18 and name  HB2)   (resid  21 and name   HN)   3.185    1.385    1.385  
assign (resid  18 and name  HB2)   (resid  21 and name   HB)   3.650    1.850    1.850  
assign (resid  18 and name  HB1)   (resid  19 and name   HN)    0 0 5.0 
assign (resid  18 and name  HB1)   (resid  21 and name   HN)   3.185    1.385    1.385  
assign (resid  18 and name  HB1)   (resid  21 and name   HB)   3.650    1.850    1.850  
assign (resid  18 and name  HB#)   (resid  21 and name   HN)   3.110    1.310    1.310  
assign (resid  18 and name  HB2)   (resid  21 and name  HG*)   3.650    1.850    1.850  
assign (resid  18 and name  HB1)   (resid  21 and name  HG*)   3.650    1.850    1.850  
assign (resid  18 and name  HB2)   (resid  23 and name HG2#)   3.400    1.600    1.600  
assign (resid  18 and name  HB1)   (resid  23 and name HG2#)   3.400    1.600    1.600  
assign (resid  19 and name   HN)   (resid  20 and name  HD#)   3.610    1.810    1.810  
assign (resid  19 and name   HA)   (resid  19 and name  HD1)   2.830    1.030    1.030  
assign (resid  19 and name   HA)   (resid  19 and name  HE3)   3.230    1.430    1.430  
assign (resid  19 and name   HA)   (resid  20 and name   HA)   2.100    0.300    0.300  
assign (resid  19 and name   HA)   (resid  21 and name   HN)   2.395    0.595    0.595  
assign (resid  19 and name  HB#)   (resid  20 and name   HA)   3.250    1.450    1.450  
assign (resid  19 and name  HB#)   (resid  20 and name  HB1)   4.090    2.290    2.290  
assign (resid  19 and name  HB#)   (resid  21 and name   HN)   3.700    1.900    1.900  
assign (resid  19 and name  HD1)   (resid  20 and name   HA)   2.890    1.090    1.090  
assign (resid  19 and name  HE3)   (resid  20 and name   HA)   3.650    1.850    1.850  
assign (resid  19 and name  HE3)   (resid  20 and name  HD2)   3.155    1.355    1.355  
assign (resid  19 and name  HE3)   (resid  20 and name  HD1)   3.155    1.355    1.355  
assign (resid  19 and name  HE3)   (resid  20 and name  HD#)   2.815    1.015    1.015  
assign (resid  19 and name  HE1)   (resid  20 and name   HA)   3.650    1.850    1.850  
assign (resid  19 and name  HE1)   (resid  20 and name  HB2)   3.650    1.850    1.850  
assign (resid  19 and name  HE1)   (resid  20 and name  HB1)   3.650    1.850    1.850  
assign (resid  19 and name  HZ2)   (resid  20 and name  HB1)   0 0 5.0
assign (resid  19 and name  HZ3)   (resid  20 and name  HD1)   0 0 6.0
assign (resid  20 and name   HA)   (resid  21 and name   HN)   2.535    0.735    0.735  
assign (resid  20 and name   HA)   (resid  21 and name  HG*)   4.710    2.910    2.910  
assign (resid  20 and name  HB2)   (resid  21 and name   HN)   3.030    1.230    1.230  
assign (resid  20 and name  HB2)   (resid  21 and name  HG*)   4.620    2.820    2.820  
assign (resid  20 and name  HB1)   (resid  21 and name   HN)   3.155    1.355    1.355  
assign (resid  20 and name  HB1)   (resid  21 and name  HG*)   4.710    2.910    2.910  
assign (resid  20 and name  HG2)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid  20 and name  HG1)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid  20 and name  HG#)   (resid  21 and name   HN)   3.285    1.485    1.485  
assign (resid  20 and name  HD2)   (resid  21 and name  HG*)   4.710    2.910    2.910  
assign (resid  20 and name  HD1)   (resid  21 and name  HG*)   4.710    2.910    2.910  
assign (resid  20 and name  HD#)   (resid  21 and name   HN)   3.110    1.310    1.310  
assign (resid  20 and name  HD#)   (resid  21 and name  HG*)   4.415    2.615    2.615  
assign (resid  21 and name   HA)   (resid  22 and name   HN)   2.315    0.515    0.515  
assign (resid  21 and name   HB)   (resid  22 and name   HN)   2.210    0.410    0.410  
assign (resid  21 and name   HB)   (resid  23 and name HG2#)   3.590    1.790    1.790  
assign (resid  21 and name   HB)   (resid  28 and name   HA)   3.650    1.850    1.850  
assign (resid  21 and name  HG*)   (resid  22 and name   HN)   3.735    1.935    1.935  
assign (resid  21 and name  HG*)   (resid  28 and name   HA)   4.430    2.630    2.630  
assign (resid  21 and name  HG*)   (resid  28 and name  HB1)   3.675    1.875    1.875  
assign (resid  21 and name  HG*)   (resid  28 and name  HG2)   4.650    2.850    2.850  
assign (resid  21 and name  HG*)   (resid  28 and name  HG1)   4.650    2.850    2.850  
assign (resid  21 and name  HG*)   (resid  28 and name  HG#)   4.405    2.605    2.605  
assign (resid  21 and name  HG*)   (resid  22 and name   HA)  0 0 6.0
assign (resid  22 and name   HN)   (resid  23 and name HG2#)   4.165    2.365    2.365  
assign (resid  22 and name   HN)   (resid  29 and name   HB)   3.230    1.430    1.430  
assign (resid  22 and name   HN)   (resid  29 and name  HG*)   4.880    3.080    3.080  
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.660    0.860    0.860  
assign (resid  22 and name   HA)   (resid  23 and name HG2#)   3.650    1.850    1.850  
assign (resid  22 and name  HB2)   (resid  23 and name   HN)   3.650    1.850    1.850  
assign (resid  22 and name  HB2)   (resid  29 and name   HN)   3.650    1.850    1.850  
assign (resid  22 and name  HB2)   (resid  29 and name HG1#)   3.560    1.760    1.760  
assign (resid  22 and name  HB2)   (resid  29 and name HG2#)   3.560    1.760    1.760  
assign (resid  22 and name  HB2)   (resid  29 and name  HG*)   3.325    1.525    1.525  
assign (resid  22 and name  HB1)   (resid  23 and name   HN)   3.155    1.355    1.355  
assign (resid  22 and name  HB1)   (resid  23 and name   HA)   3.075    1.275    1.275  
assign (resid  22 and name  HB1)   (resid  29 and name   HN)   3.650    1.850    1.850  
assign (resid  22 and name  HB1)   (resid  29 and name HG1#)   3.870    2.070    2.070  
assign (resid  22 and name  HB1)   (resid  29 and name HG2#)   3.870    2.070    2.070  
assign (resid  22 and name  HB1)   (resid  29 and name  HG*)   3.475    1.675    1.675  
assign (resid  22 and name  HB1)   (resid  29 and name HB  )   0 0 3.5 
assign (resid  22 and name  HB1)   (resid  29 and name HB)   0 0 3.5 
assign (resid  23 and name   HN)   (resid  28 and name   HA)   3.590    1.790    1.790  
assign (resid  23 and name   HN)   (resid  29 and name HG1#)   4.165    2.365    2.365  
assign (resid  23 and name   HN)   (resid  29 and name HG2#)   4.165    2.365    2.365  
assign (resid  23 and name   HA)   (resid  24 and name   HN)   0 0 2.7  
assign (resid  23 and name   HA)   (resid  27 and name   HN)   3.420    1.620    1.620  
assign (resid  23 and name   HA)   (resid  28 and name   HA)   2.535    0.735    0.735  
assign (resid  23 and name   HA)   (resid  28 and name  HB2)   3.650    1.850    1.850  
assign (resid  23 and name   HA)   (resid  28 and name  HB1)   3.650    1.850    1.850  
assign (resid  23 and name   HA)   (resid  29 and name   HN)   2.365    0.565    0.565  
assign (resid  23 and name   HA)   (resid  29 and name  HG*)   3.675    1.875    1.875  
assign (resid  23 and name   HB)   (resid  24 and name   HN)    0 0 3.5  
assign (resid  23 and name   HB)   (resid  26 and name   HN)   2.735    0.935    0.935  
assign (resid  23 and name   HB)   (resid  27 and name   HN)   2.520    0.720    0.720  
assign (resid  23 and name   HB)   (resid  28 and name   HA)   3.420    1.620    1.620  
assign (resid  23 and name   HB)   (resid  29 and name   HN)   3.650    1.850    1.850  
assign (resid  23 and name HG2#)   (resid  24 and name   HN)   3.840    2.040    2.040  
assign (resid  23 and name HG2#)   (resid  26 and name   HN)   3.900    2.100    2.100  
assign (resid  23 and name HG2#)   (resid  28 and name   HA)   2.910    1.110    1.110  
assign (resid  23 and name HG2#)   (resid  28 and name  HB1)   3.465    1.665    1.665  
assign (resid  23 and name HG2#)   (resid  28 and name  HG#)   3.875    2.075    2.075  
assign (resid  23 and name HG2#)   (resid  29 and name   HN)   3.340    1.540    1.540  
assign (resid  24 and name   HN)   (resid  27 and name   HN)   2.485    0.685    0.685  
assign (resid  24 and name   HN)   (resid  27 and name   HA)   3.155    1.355    1.355  
assign (resid  24 and name   HN)   (resid  28 and name   HA)   2.935    1.135    1.135  
assign (resid  24 and name   HN)   (resid  29 and name  HG*)   4.140    2.340    2.340  
assign (resid  24 and name   HA)   (resid  26 and name   HN)   2.795    0.995    0.995  
assign (resid  24 and name   HA)   (resid  27 and name   HN)   3.465    1.665    1.665  
assign (resid  24 and name  HB2)   (resid  24 and name   HE)   3.400    1.600    1.600  
assign (resid  24 and name  HB2)   (resid  29 and name HG1#)   4.265    2.465    2.465  
assign (resid  24 and name  HB2)   (resid  29 and name HG2#)   4.265    2.465    2.465  
assign (resid  24 and name  HB1)   (resid  24 and name   HE)   3.400    1.600    1.600  
assign (resid  24 and name  HB1)   (resid  29 and name HG1#)   4.265    2.465    2.465  
assign (resid  24 and name  HB1)   (resid  29 and name HG2#)   4.265    2.465    2.465  
assign (resid  24 and name  HB#)   (resid  24 and name   HE)   3.140    1.340    1.340  
assign (resid  24 and name  HB#)   (resid  29 and name   HN)   4.090    2.290    2.290  
assign (resid  24 and name  HB#)   (resid  29 and name  HG*)   3.300    1.500    1.500  
assign (resid  24 and name  HG2)   (resid  24 and name   HE)   2.985    1.185    1.185  
assign (resid  24 and name  HG1)   (resid  24 and name   HE)   2.985    1.185    1.185  
assign (resid  24 and name  HD2)   (resid  29 and name HG1#)   5.725    3.925    3.925  
assign (resid  24 and name  HD2)   (resid  29 and name HG2#)   5.725    3.925    3.925  
assign (resid  24 and name  HD1)   (resid  29 and name HG1#)   5.725    3.925    3.925  
assign (resid  24 and name  HD1)   (resid  29 and name HG2#)   5.725    3.925    3.925  
assign (resid  24 and name  HD#)   (resid  29 and name  HG*)   4.920    3.120    3.120  
assign (resid  24 and name   HE)   (resid  29 and name  HG*)   4.945    3.145    3.145  
assign (resid  25 and name   HA)   (resid  26 and name   HN)   2.315    0.515    0.515  
assign (resid  25 and name  HB2)   (resid  26 and name   HN)   3.385    1.585    1.585  
assign (resid  25 and name  HB2)   (resid  27 and name   HN)   3.510    1.710    1.710  
assign (resid  25 and name  HB2)   (resid  27 and name  HD#)   4.715    2.915    2.915  
assign (resid  25 and name  HB1)   (resid  26 and name   HN)   3.385    1.585    1.585  
assign (resid  25 and name  HB1)   (resid  27 and name   HN)   3.510    1.710    1.710  
assign (resid  25 and name  HB1)   (resid  27 and name  HD#)   4.715    2.915    2.915  
assign (resid  25 and name  HB#)   (resid  27 and name   HN)   3.270    1.470    1.470  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   2.380    0.580    0.580  
assign (resid  26 and name  HA1)   (resid  27 and name   HN)   2.675    0.875    0.875  
assign (resid  26 and name  HA2)   (resid  27 and name   HN)   2.675    0.875    0.875  
assign (resid  26 and name  HA#)   (resid  27 and name  HD#)   4.765    2.965    2.965  
assign (resid  27 and name   HN)   (resid  28 and name  HD#)   4.090    2.290    2.290  
assign (resid  27 and name   HA)   (resid  28 and name  HG#)   3.755    1.955    1.955  
assign (resid  27 and name   HA)   (resid  28 and name  HD2)   2.195    0.395    0.395  
assign (resid  27 and name   HA)   (resid  28 and name  HD1)   2.195    0.395    0.395  
assign (resid  27 and name   HA)   (resid  28 and name  HD#)   2.070    0.270    0.270  
assign (resid  27 and name  HB2)   (resid  28 and name  HD2)   3.660    1.860    1.860  
assign (resid  27 and name  HB2)   (resid  28 and name  HD1)   3.660    1.860    1.860  
assign (resid  27 and name  HB1)   (resid  28 and name  HD2)   3.660    1.860    1.860  
assign (resid  27 and name  HB1)   (resid  28 and name  HD1)   3.660    1.860    1.860  
assign (resid  27 and name  HB#)   (resid  28 and name  HD#)   2.865    1.065    1.065  
assign (resid  27 and name   HG)   (resid  28 and name  HD#)   3.885    2.085    2.085  
assign (resid  27 and name  HD#)   (resid  28 and name  HD#)   3.820    2.020    2.020  
assign (resid  28 and name   HA)   (resid  29 and name   HN)   2.100    0.300    0.300  
assign (resid  28 and name   HA)   (resid  29 and name  HG*)   4.850    3.050    3.050  
assign (resid  28 and name  HB2)   (resid  29 and name   HN)   2.610    0.810    0.810
assign (resid  28 and name  HB1)   (resid  29 and name   HN)  0 0 3.3
assign (resid  16 and name    O)   (resid  23 and name    N)   2.400    0.600    0.600  
assign (resid  16 and name    O)   (resid  23 and name   HN)   1.900    0.100    0.100  
assign (resid  16 and name    N)   (resid  23 and name    O)   2.400    0.600    0.600  
assign (resid  16 and name   HN)   (resid  23 and name    O)   1.900    0.100    0.100  
assign (resid  18 and name    O)   (resid  21 and name    N)   2.400    0.600    0.600  
assign (resid  18 and name    O)   (resid  21 and name   HN)   1.900    0.100    0.100  
assign (resid  18 and name    N)   (resid  21 and name    O)   2.400    0.600    0.600  
assign (resid  18 and name   HN)   (resid  21 and name    O)   1.900    0.100    0.100  
assign (resid  24 and name    N)   (resid  27 and name    O)   2.400    0.600    0.600  
assign (resid  24 and name   HN)   (resid  27 and name    O)   1.900    0.100    0.100  
assign (resid  29 and name    N)   (resid  22 and name    O)   2.400    0.600    0.600  
assign (resid  29 and name   HN)   (resid  22 and name    O)   1.900    0.100    0.100  
assign (resid   5 and name    N)   (resid  20 and name    O)   2.400    0.600    0.600  
assign (resid   5 and name   HN)   (resid  20 and name    O)   1.900    0.100    0.100  
assign (resid  21 and name    N)   (resid  18 and name    O)   2.400    0.600    0.600  
assign (resid  21 and name   HN)   (resid  18 and name    O)   1.900    0.100    0.100  
assign (resid  22 and name    N)   (resid   3 and name    O)   2.400    0.600    0.600  
assign (resid  22 and name   HN)   (resid   3 and name    O)   1.900    0.100    0.100  
assign (resid  27 and name    N)   (resid  24 and name    O)   2.400    0.600    0.600  
assign (resid  27 and name   HN)   (resid  24 and name    O)   1.900    0.100    0.100  
--------------------------------------------------------------------------------------


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ALA   1           H        ALA   1   5.474   3.139  -2.277
    2    HA   ALA   1           HA       ALA   1   5.227   3.285  -4.531
    3   1HB   ALA   1          1HB       ALA   1   5.202   0.271  -4.357
    4   2HB   ALA   1          2HB       ALA   1   6.638   1.290  -4.459
    5   3HB   ALA   1          3HB       ALA   1   5.508   1.223  -5.810
    6    H    GLY   2           H        GLY   2   3.616   0.614  -5.558
    7   1HA   GLY   2          2HA       GLY   2   1.099   2.100  -5.669
    8   2HA   GLY   2          1HA       GLY   2   1.540   0.739  -6.687
    9    H    GLU   3           H        GLU   3   2.030   0.564  -3.246
   10    HA   GLU   3           HA       GLU   3   0.340  -1.734  -3.051
   11   1HB   GLU   3          2HB       GLU   3   2.416  -1.368  -1.684
   12   2HB   GLU   3          1HB       GLU   3   1.556  -0.116  -0.804
   13   1HG   GLU   3          2HG       GLU   3   1.467  -2.052   0.521
   14   2HG   GLU   3          1HG       GLU   3  -0.136  -1.854  -0.183
   15    H    THR   4           H        THR   4  -1.783  -1.735  -2.748
   16    HA   THR   4           HA       THR   4  -3.010   0.691  -1.655
   17    HB   THR   4           HB       THR   4  -5.128  -0.163  -2.743
   18    HG1  THR   4           HG1      THR   4  -3.345  -1.703  -4.337
   19   1HG2  THR   4          1HG2      THR   4  -4.133   0.421  -5.130
   20   2HG2  THR   4          2HG2      THR   4  -2.733   0.891  -4.163
   21   3HG2  THR   4          3HG2      THR   4  -4.300   1.648  -3.874
   22    H    CYS   5           H        CYS   5  -4.806   0.473  -0.248
   23    HA   CYS   5           HA       CYS   5  -4.873  -2.117   1.158
   24   1HB   CYS   5          2HB       CYS   5  -3.726  -0.246   2.424
   25   2HB   CYS   5          1HB       CYS   5  -5.276   0.591   2.450
   26    H    VAL   6           H        VAL   6  -6.543  -1.463  -0.974
   27    HA   VAL   6           HA       VAL   6  -9.021  -0.371  -0.197
   28    HB   VAL   6           HB       VAL   6  -8.609  -2.464  -2.333
   29   1HG1  VAL   6          1HG1      VAL   6 -10.742  -0.396  -1.864
   30   2HG1  VAL   6          2HG1      VAL   6 -10.924  -2.149  -1.915
   31   3HG1  VAL   6          3HG1      VAL   6 -10.543  -1.257  -3.389
   32   1HG2  VAL   6          1HG2      VAL   6  -7.030  -0.656  -2.687
   33   2HG2  VAL   6          2HG2      VAL   6  -8.323   0.532  -2.526
   34   3HG2  VAL   6          3HG2      VAL   6  -8.315  -0.583  -3.892
   35    H    GLY   7           H        GLY   7  -7.761  -3.660  -0.155
   36   1HA   GLY   7          2HA       GLY   7 -10.237  -4.756   0.875
   37   2HA   GLY   7          1HA       GLY   7  -8.752  -5.634   0.564
   38    H    GLY   8           H        GLY   8  -8.037  -2.932   2.275
   39   1HA   GLY   8          2HA       GLY   8  -7.737  -2.444   4.526
   40   2HA   GLY   8          1HA       GLY   8  -8.672  -3.876   4.917
   41    H    THR   9           H        THR   9  -6.201  -4.541   2.747
   42    HA   THR   9           HA       THR   9  -4.180  -5.074   4.771
   43    HB   THR   9           HB       THR   9  -3.904  -7.432   3.838
   44    HG1  THR   9           HG1      THR   9  -5.481  -6.940   2.080
   45   1HG2  THR   9          1HG2      THR   9  -5.974  -8.268   5.207
   46   2HG2  THR   9          2HG2      THR   9  -6.129  -6.564   5.635
   47   3HG2  THR   9          3HG2      THR   9  -4.648  -7.439   6.023
   48    H    CYS  10           H        CYS  10  -2.114  -5.138   3.946
   49    HA   CYS  10           HA       CYS  10  -1.847  -4.490   1.091
   50   1HB   CYS  10          2HB       CYS  10   0.389  -4.209   3.054
   51   2HB   CYS  10          1HB       CYS  10   0.114  -3.336   1.560
   52    H    ASN  11           H        ASN  11  -0.017  -5.354  -0.030
   53    HA   ASN  11           HA       ASN  11   0.321  -8.185   0.481
   54   1HB   ASN  11          2HB       ASN  11   1.423  -6.384  -1.693
   55   2HB   ASN  11          1HB       ASN  11   1.621  -8.133  -1.647
   56   1HD2  ASN  11          1HD2      ASN  11  -0.430  -5.516  -2.423
   57   2HD2  ASN  11          2HD2      ASN  11  -1.756  -6.451  -3.033
   58    H    THR  12           H        THR  12   2.206  -5.239   0.526
   59    HA   THR  12           HA       THR  12   4.725  -6.456   1.045
   60    HB   THR  12           HB       THR  12   3.812  -3.621   1.585
   61    HG1  THR  12           HG1      THR  12   3.662  -4.155  -0.625
   62   1HG2  THR  12          1HG2      THR  12   5.899  -3.093   2.229
   63   2HG2  THR  12          2HG2      THR  12   6.633  -4.095   0.976
   64   3HG2  THR  12          3HG2      THR  12   6.111  -4.825   2.495
   65    HA   PRO  13           HA       PRO  13   4.011  -7.465   5.325
   66   1HB   PRO  13          2HB       PRO  13   6.924  -7.819   5.436
   67   2HB   PRO  13          1HB       PRO  13   5.641  -9.002   5.700
   68   1HG   PRO  13          2HG       PRO  13   7.212  -9.042   3.513
   69   2HG   PRO  13          1HG       PRO  13   5.519  -9.563   3.474
   70   1HD   PRO  13          2HD       PRO  13   6.738  -6.999   2.536
   71   2HD   PRO  13          1HD       PRO  13   5.428  -7.957   1.817
   72    H    GLY  14           H        GLY  14   4.009  -6.269   7.110
   73   1HA   GLY  14          2HA       GLY  14   4.601  -4.692   8.681
   74   2HA   GLY  14          1HA       GLY  14   6.140  -4.518   7.855
   75    H    ALA  15           H        ALA  15   3.203  -4.104   6.061
   76    HA   ALA  15           HA       ALA  15   3.828  -1.257   5.794
   77   1HB   ALA  15          1HB       ALA  15   2.150  -1.413   3.881
   78   2HB   ALA  15          2HB       ALA  15   2.225  -3.160   4.107
   79   3HB   ALA  15          3HB       ALA  15   3.680  -2.264   3.673
   80    H    THR  16           H        THR  16   2.430   0.320   6.404
   81    HA   THR  16           HA       THR  16   0.211  -0.489   8.100
   82    HB   THR  16           HB       THR  16   0.933   2.364   7.571
   83    HG1  THR  16           HG1      THR  16   2.595   0.443   8.595
   84   1HG2  THR  16          1HG2      THR  16   0.127   0.927  10.099
   85   2HG2  THR  16          2HG2      THR  16  -0.995   1.750   9.016
   86   3HG2  THR  16          3HG2      THR  16   0.246   2.671   9.864
   87    H    CYS  17           H        CYS  17  -1.904   0.215   7.772
   88    HA   CYS  17           HA       CYS  17  -2.618   0.512   4.996
   89   1HB   CYS  17          2HB       CYS  17  -3.861  -1.024   6.493
   90   2HB   CYS  17          1HB       CYS  17  -4.418   0.366   7.419
   91    H    SER  18           H        SER  18  -3.442   2.222   4.016
   92    HA   SER  18           HA       SER  18  -4.217   4.605   5.494
   93   1HB   SER  18          2HB       SER  18  -2.148   4.646   3.279
   94   2HB   SER  18          1HB       SER  18  -2.779   6.052   4.135
   95    HG   SER  18           HG       SER  18  -1.918   4.464   6.005
   96    H    TRP  19           H        TRP  19  -6.035   3.138   4.575
   97    HA   TRP  19           HA       TRP  19  -6.837   2.658   2.134
   98   1HB   TRP  19          2HB       TRP  19  -8.188   2.736   4.410
   99   2HB   TRP  19          1HB       TRP  19  -8.854   4.202   3.693
  100    HD1  TRP  19           HD1      TRP  19  -8.846   0.418   3.309
  101    HE1  TRP  19           HE1      TRP  19 -10.650  -0.272   1.610
  102    HE3  TRP  19           HE3      TRP  19 -10.166   5.051   1.616
  103    HZ2  TRP  19           HZ2      TRP  19 -12.403   0.982  -0.205
  104    HZ3  TRP  19           HZ3      TRP  19 -11.920   5.223  -0.103
  105    HH2  TRP  19           HH2      TRP  19 -13.015   3.229  -0.994
  106    HA   PRO  20           HA       PRO  20  -7.582   2.450   0.581
  107   1HB   PRO  20          2HB       PRO  20  -7.700   2.675  -2.041
  108   2HB   PRO  20          1HB       PRO  20  -9.023   3.255  -1.029
  109   1HG   PRO  20          2HG       PRO  20  -6.907   4.808  -2.438
  110   2HG   PRO  20          1HG       PRO  20  -8.607   5.223  -2.160
  111   1HD   PRO  20          2HD       PRO  20  -6.380   6.073  -0.632
  112   2HD   PRO  20          1HD       PRO  20  -8.093   6.283  -0.222
  113    H    VAL  21           H        VAL  21  -4.890   3.893   0.985
  114    HA   VAL  21           HA       VAL  21  -3.372   2.111  -0.813
  115    HB   VAL  21           HB       VAL  21  -1.494   3.782  -0.736
  116   1HG1  VAL  21          1HG1      VAL  21  -3.806   5.088  -2.081
  117   2HG1  VAL  21          2HG1      VAL  21  -3.366   3.449  -2.564
  118   3HG1  VAL  21          3HG1      VAL  21  -2.185   4.752  -2.691
  119   1HG2  VAL  21          1HG2      VAL  21  -1.660   5.767   0.276
  120   2HG2  VAL  21          2HG2      VAL  21  -3.023   5.056   1.141
  121   3HG2  VAL  21          3HG2      VAL  21  -3.306   6.028  -0.303
  122    H    CYS  22           H        CYS  22  -0.898   2.196   0.070
  123    HA   CYS  22           HA       CYS  22  -1.051   1.649   2.964
  124   1HB   CYS  22          2HB       CYS  22   0.297  -0.008   0.828
  125   2HB   CYS  22          1HB       CYS  22   0.594  -0.216   2.552
  126    H    THR  23           H        THR  23   0.656   2.271   4.200
  127    HA   THR  23           HA       THR  23   2.953   3.487   2.829
  128    HB   THR  23           HB       THR  23   2.974   5.276   4.591
  129    HG1  THR  23           HG1      THR  23   0.247   4.853   5.081
  130   1HG2  THR  23          1HG2      THR  23   0.861   5.036   2.502
  131   2HG2  THR  23          2HG2      THR  23   2.211   6.165   2.620
  132   3HG2  THR  23          3HG2      THR  23   0.778   6.398   3.620
  133    H    ARG  24           H        ARG  24   4.859   3.656   4.160
  134    HA   ARG  24           HA       ARG  24   4.894   2.139   6.638
  135   1HB   ARG  24          2HB       ARG  24   5.302   0.463   4.849
  136   2HB   ARG  24          1HB       ARG  24   6.668   1.418   4.292
  137   1HG   ARG  24          2HG       ARG  24   7.762   1.087   6.468
  138   2HG   ARG  24          1HG       ARG  24   6.407   0.076   6.973
  139   1HD   ARG  24          2HD       ARG  24   8.343  -1.238   6.187
  140   2HD   ARG  24          1HD       ARG  24   6.890  -1.520   5.231
  141    HE   ARG  24           HE       ARG  24   8.059  -0.831   3.417
  142   1HH1  ARG  24          1HH1      ARG  24   9.519   0.691   6.223
  143   2HH1  ARG  24          2HH1      ARG  24  10.758   1.479   5.302
  144   1HH2  ARG  24          1HH2      ARG  24   9.691   0.216   2.208
  145   2HH2  ARG  24          2HH2      ARG  24  10.853   1.213   3.018
  146    H    ASN  25           H        ASN  25   6.164   3.144   8.044
  147    HA   ASN  25           HA       ASN  25   7.603   4.627   8.970
  148   1HB   ASN  25          2HB       ASN  25   9.140   4.115   6.415
  149   2HB   ASN  25          1HB       ASN  25   9.761   5.089   7.743
  150   1HD2  ASN  25          1HD2      ASN  25  10.959   4.078   9.174
  151   2HD2  ASN  25          2HD2      ASN  25  10.967   2.376   9.475
  152    H    GLY  26           H        GLY  26   5.381   5.571   7.407
  153   1HA   GLY  26          2HA       GLY  26   4.510   7.656   6.945
  154   2HA   GLY  26          1HA       GLY  26   6.086   8.345   7.300
  155    H    LEU  27           H        LEU  27   6.169   5.839   5.001
  156    HA   LEU  27           HA       LEU  27   6.101   7.778   2.782
  157   1HB   LEU  27          2HB       LEU  27   8.071   5.518   3.180
  158   2HB   LEU  27          1HB       LEU  27   7.959   6.512   1.740
  159    HG   LEU  27           HG       LEU  27   8.676   7.545   4.486
  160   1HD1  LEU  27          1HD1      LEU  27  10.936   7.849   3.371
  161   2HD1  LEU  27          2HD1      LEU  27  10.356   6.736   2.131
  162   3HD1  LEU  27          3HD1      LEU  27  10.482   6.200   3.807
  163   1HD2  LEU  27          1HD2      LEU  27   8.736   8.864   1.773
  164   2HD2  LEU  27          2HD2      LEU  27   9.327   9.573   3.277
  165   3HD2  LEU  27          3HD2      LEU  27   7.609   9.225   3.081
  166    HA   PRO  28           HA       PRO  28   3.143   4.944   1.112
  167   1HB   PRO  28          2HB       PRO  28   4.018   5.804  -1.545
  168   2HB   PRO  28          1HB       PRO  28   2.435   5.951  -0.785
  169   1HG   PRO  28          2HG       PRO  28   4.075   8.079  -1.183
  170   2HG   PRO  28          1HG       PRO  28   2.920   7.982   0.157
  171   1HD   PRO  28          2HD       PRO  28   5.875   7.642   0.172
  172   2HD   PRO  28          1HD       PRO  28   4.801   8.274   1.435
  173    H    VAL  29           H        VAL  29   3.167   2.913   0.375
  174    HA   VAL  29           HA       VAL  29   5.764   1.760  -0.248
  175    HB   VAL  29           HB       VAL  29   3.144   0.285   0.144
  176   1HG1  VAL  29          1HG1      VAL  29   5.035  -0.907  -1.004
  177   2HG1  VAL  29          2HG1      VAL  29   4.485  -1.658   0.495
  178   3HG1  VAL  29          3HG1      VAL  29   5.972  -0.710   0.477
  179   1HG2  VAL  29          1HG2      VAL  29   3.530   1.505   2.151
  180   2HG2  VAL  29          2HG2      VAL  29   5.242   1.083   2.152
  181   3HG2  VAL  29          3HG2      VAL  29   4.027  -0.162   2.445
  Start of MODEL    2
    1    H    ALA   1           H        ALA   1   4.462   3.659  -3.898
    2    HA   ALA   1           HA       ALA   1   1.907   4.184  -5.085
    3   1HB   ALA   1          1HB       ALA   1   4.580   3.847  -6.441
    4   2HB   ALA   1          2HB       ALA   1   3.975   5.361  -5.770
    5   3HB   ALA   1          3HB       ALA   1   3.135   4.595  -7.119
    6    H    GLY   2           H        GLY   2   0.582   2.757  -5.983
    7   1HA   GLY   2          2HA       GLY   2   0.083   0.936  -7.421
    8   2HA   GLY   2          1HA       GLY   2   1.669   0.265  -7.072
    9    H    GLU   3           H        GLU   3   1.548   0.478  -4.241
   10    HA   GLU   3           HA       GLU   3  -0.045  -1.867  -3.711
   11   1HB   GLU   3          2HB       GLU   3   2.306  -1.290  -2.754
   12   2HB   GLU   3          1HB       GLU   3   1.423  -0.297  -1.607
   13   1HG   GLU   3          2HG       GLU   3   0.266  -2.186  -0.741
   14   2HG   GLU   3          1HG       GLU   3   0.886  -3.223  -2.019
   15    H    THR   4           H        THR   4  -2.155  -1.599  -3.455
   16    HA   THR   4           HA       THR   4  -3.118   0.789  -2.070
   17    HB   THR   4           HB       THR   4  -5.380   0.045  -2.908
   18    HG1  THR   4           HG1      THR   4  -4.031  -1.476  -4.853
   19   1HG2  THR   4          1HG2      THR   4  -5.007   0.914  -5.171
   20   2HG2  THR   4          2HG2      THR   4  -3.270   0.677  -4.978
   21   3HG2  THR   4          3HG2      THR   4  -4.116   1.853  -3.973
   22    H    CYS   5           H        CYS   5  -4.696   0.622  -0.448
   23    HA   CYS   5           HA       CYS   5  -4.696  -1.982   0.930
   24   1HB   CYS   5          2HB       CYS   5  -3.403  -0.092   2.053
   25   2HB   CYS   5          1HB       CYS   5  -4.955   0.711   2.284
   26    H    VAL   6           H        VAL   6  -6.561  -1.362  -1.011
   27    HA   VAL   6           HA       VAL   6  -8.932  -0.189  -0.052
   28    HB   VAL   6           HB       VAL   6  -8.738  -2.376  -2.126
   29   1HG1  VAL   6          1HG1      VAL   6 -10.861  -1.881  -2.770
   30   2HG1  VAL   6          2HG1      VAL   6 -10.740  -0.196  -2.268
   31   3HG1  VAL   6          3HG1      VAL   6 -10.993  -1.458  -1.063
   32   1HG2  VAL   6          1HG2      VAL   6  -7.284  -0.205  -2.360
   33   2HG2  VAL   6          2HG2      VAL   6  -8.822   0.518  -2.832
   34   3HG2  VAL   6          3HG2      VAL   6  -8.172  -0.846  -3.743
   35    H    GLY   7           H        GLY   7  -7.758  -3.510   0.005
   36   1HA   GLY   7          2HA       GLY   7 -10.148  -4.455   1.370
   37   2HA   GLY   7          1HA       GLY   7  -8.771  -5.418   0.873
   38    H    GLY   8           H        GLY   8  -7.875  -2.628   2.462
   39   1HA   GLY   8          2HA       GLY   8  -7.029  -2.176   4.556
   40   2HA   GLY   8          1HA       GLY   8  -8.125  -3.401   5.164
   41    H    THR   9           H        THR   9  -5.762  -4.068   2.752
   42    HA   THR   9           HA       THR   9  -3.877  -5.214   4.631
   43    HB   THR   9           HB       THR   9  -4.020  -7.328   2.950
   44    HG1  THR   9           HG1      THR   9  -6.720  -6.470   3.323
   45   1HG2  THR   9          1HG2      THR   9  -5.826  -8.082   4.876
   46   2HG2  THR   9          2HG2      THR   9  -4.996  -6.727   5.640
   47   3HG2  THR   9          3HG2      THR   9  -4.072  -8.109   5.054
   48    H    CYS  10           H        CYS  10  -1.837  -5.609   3.725
   49    HA   CYS  10           HA       CYS  10  -1.440  -4.621   0.979
   50   1HB   CYS  10          2HB       CYS  10   0.445  -4.222   3.300
   51   2HB   CYS  10          1HB       CYS  10   0.668  -3.635   1.662
   52    H    ASN  11           H        ASN  11   0.789  -5.261   0.193
   53    HA   ASN  11           HA       ASN  11   1.028  -8.143   0.527
   54   1HB   ASN  11          2HB       ASN  11   2.231  -6.195  -1.444
   55   2HB   ASN  11          1HB       ASN  11   2.727  -7.881  -1.363
   56   1HD2  ASN  11          1HD2      ASN  11   1.753  -9.152  -2.747
   57   2HD2  ASN  11          2HD2      ASN  11   0.171  -8.932  -3.403
   58    H    THR  12           H        THR  12   2.715  -5.176   1.165
   59    HA   THR  12           HA       THR  12   5.208  -6.396   1.887
   60    HB   THR  12           HB       THR  12   4.186  -3.665   2.693
   61    HG1  THR  12           HG1      THR  12   4.168  -3.640   0.481
   62   1HG2  THR  12          1HG2      THR  12   6.764  -5.088   2.926
   63   2HG2  THR  12          2HG2      THR  12   6.080  -3.806   3.926
   64   3HG2  THR  12          3HG2      THR  12   6.852  -3.409   2.391
   65    HA   PRO  13           HA       PRO  13   3.882  -7.766   5.923
   66   1HB   PRO  13          2HB       PRO  13   6.342  -8.426   6.883
   67   2HB   PRO  13          1HB       PRO  13   5.431  -9.450   5.766
   68   1HG   PRO  13          2HG       PRO  13   7.672  -7.554   5.203
   69   2HG   PRO  13          1HG       PRO  13   7.367  -9.165   4.538
   70   1HD   PRO  13          2HD       PRO  13   6.792  -6.886   3.184
   71   2HD   PRO  13          1HD       PRO  13   5.857  -8.382   2.988
   72    H    GLY  14           H        GLY  14   3.486  -6.606   7.668
   73   1HA   GLY  14          2HA       GLY  14   3.702  -5.084   9.384
   74   2HA   GLY  14          1HA       GLY  14   5.416  -4.995   9.009
   75    H    ALA  15           H        ALA  15   2.956  -4.326   6.625
   76    HA   ALA  15           HA       ALA  15   3.968  -1.614   6.373
   77   1HB   ALA  15          1HB       ALA  15   1.974  -1.902   4.492
   78   2HB   ALA  15          2HB       ALA  15   2.654  -3.524   4.619
   79   3HB   ALA  15          3HB       ALA  15   3.698  -2.158   4.225
   80    H    THR  16           H        THR  16   2.689   0.229   6.539
   81    HA   THR  16           HA       THR  16   0.414  -0.043   8.330
   82    HB   THR  16           HB       THR  16   1.298   2.604   7.297
   83    HG1  THR  16           HG1      THR  16   2.854   0.837   8.858
   84   1HG2  THR  16          1HG2      THR  16   0.413   1.518   9.966
   85   2HG2  THR  16          2HG2      THR  16  -0.470   2.611   8.900
   86   3HG2  THR  16          3HG2      THR  16   0.981   3.171   9.731
   87    H    CYS  17           H        CYS  17  -1.650   0.659   7.814
   88    HA   CYS  17           HA       CYS  17  -2.197   0.777   4.954
   89   1HB   CYS  17          2HB       CYS  17  -3.411  -0.890   6.302
   90   2HB   CYS  17          1HB       CYS  17  -4.110   0.408   7.261
   91    H    SER  18           H        SER  18  -2.893   2.489   3.946
   92    HA   SER  18           HA       SER  18  -3.953   4.773   5.442
   93   1HB   SER  18          2HB       SER  18  -1.816   4.827   3.300
   94   2HB   SER  18          1HB       SER  18  -2.692   6.261   3.830
   95    HG   SER  18           HG       SER  18  -0.732   4.771   5.144
   96    H    TRP  19           H        TRP  19  -5.754   3.314   4.642
   97    HA   TRP  19           HA       TRP  19  -6.621   2.722   2.232
   98   1HB   TRP  19          2HB       TRP  19  -7.881   2.786   4.540
   99   2HB   TRP  19          1HB       TRP  19  -8.580   4.263   3.882
  100    HD1  TRP  19           HD1      TRP  19  -8.628   0.486   3.470
  101    HE1  TRP  19           HE1      TRP  19 -10.536  -0.173   1.874
  102    HE3  TRP  19           HE3      TRP  19  -9.971   5.140   1.869
  103    HZ2  TRP  19           HZ2      TRP  19 -12.369   1.115   0.162
  104    HZ3  TRP  19           HZ3      TRP  19 -11.815   5.348   0.250
  105    HH2  TRP  19           HH2      TRP  19 -12.989   3.375  -0.586
  106    HA   PRO  20           HA       PRO  20  -7.397   2.476   0.697
  107   1HB   PRO  20          2HB       PRO  20  -7.709   2.682  -1.913
  108   2HB   PRO  20          1HB       PRO  20  -8.977   3.209  -0.807
  109   1HG   PRO  20          2HG       PRO  20  -7.075   4.838  -2.407
  110   2HG   PRO  20          1HG       PRO  20  -8.741   5.204  -1.930
  111   1HD   PRO  20          2HD       PRO  20  -6.341   6.069  -0.655
  112   2HD   PRO  20          1HD       PRO  20  -8.009   6.325  -0.103
  113    H    VAL  21           H        VAL  21  -4.729   3.869   0.988
  114    HA   VAL  21           HA       VAL  21  -3.303   2.193  -0.984
  115    HB   VAL  21           HB       VAL  21  -1.462   3.881  -1.039
  116   1HG1  VAL  21          1HG1      VAL  21  -2.707   5.455  -2.577
  117   2HG1  VAL  21          2HG1      VAL  21  -4.175   4.582  -2.135
  118   3HG1  VAL  21          3HG1      VAL  21  -2.856   3.736  -2.943
  119   1HG2  VAL  21          1HG2      VAL  21  -3.456   5.444   0.541
  120   2HG2  VAL  21          2HG2      VAL  21  -2.352   6.278  -0.552
  121   3HG2  VAL  21          3HG2      VAL  21  -1.712   5.293   0.764
  122    H    CYS  22           H        CYS  22  -1.035   1.728  -0.392
  123    HA   CYS  22           HA       CYS  22  -0.922   1.101   2.459
  124   1HB   CYS  22          2HB       CYS  22   0.537   0.019   0.052
  125   2HB   CYS  22          1HB       CYS  22   0.974  -0.410   1.704
  126    H    THR  23           H        THR  23   0.934   1.488   3.704
  127    HA   THR  23           HA       THR  23   2.868   3.403   2.613
  128    HB   THR  23           HB       THR  23   2.687   4.577   4.927
  129    HG1  THR  23           HG1      THR  23   0.704   2.783   5.105
  130   1HG2  THR  23          1HG2      THR  23   2.123   6.011   3.249
  131   2HG2  THR  23          2HG2      THR  23   0.521   5.807   3.958
  132   3HG2  THR  23          3HG2      THR  23   0.974   4.886   2.523
  133    H    ARG  24           H        ARG  24   4.906   3.234   3.466
  134    HA   ARG  24           HA       ARG  24   5.280   1.224   5.587
  135   1HB   ARG  24          2HB       ARG  24   6.978   1.609   3.108
  136   2HB   ARG  24          1HB       ARG  24   7.362   0.517   4.434
  137   1HG   ARG  24          2HG       ARG  24   5.376  -0.785   3.986
  138   2HG   ARG  24          1HG       ARG  24   4.891   0.343   2.723
  139   1HD   ARG  24          2HD       ARG  24   7.387  -1.346   2.704
  140   2HD   ARG  24          1HD       ARG  24   5.906  -1.702   1.820
  141    HE   ARG  24           HE       ARG  24   7.285   0.824   1.291
  142   1HH1  ARG  24          1HH1      ARG  24   6.238  -2.343   0.224
  143   2HH1  ARG  24          2HH1      ARG  24   6.730  -2.093  -1.418
  144   1HH2  ARG  24          1HH2      ARG  24   7.943   1.159  -0.882
  145   2HH2  ARG  24          2HH2      ARG  24   7.705  -0.098  -2.049
  146    H    ASN  25           H        ASN  25   6.164   2.095   7.302
  147    HA   ASN  25           HA       ASN  25   7.271   3.495   8.702
  148   1HB   ASN  25          2HB       ASN  25   9.175   2.577   7.112
  149   2HB   ASN  25          1HB       ASN  25   9.217   4.246   6.551
  150   1HD2  ASN  25          1HD2      ASN  25  10.722   2.214   8.512
  151   2HD2  ASN  25          2HD2      ASN  25  11.252   3.289   9.756
  152    H    GLY  26           H        GLY  26   5.082   4.556   7.415
  153   1HA   GLY  26          2HA       GLY  26   4.020   6.590   7.254
  154   2HA   GLY  26          1HA       GLY  26   5.518   7.352   7.761
  155    H    LEU  27           H        LEU  27   5.896   5.331   5.052
  156    HA   LEU  27           HA       LEU  27   5.852   7.688   3.288
  157   1HB   LEU  27          2HB       LEU  27   8.093   6.715   3.664
  158   2HB   LEU  27          1HB       LEU  27   7.515   5.176   3.060
  159    HG   LEU  27           HG       LEU  27   7.060   6.304   0.858
  160   1HD1  LEU  27          1HD1      LEU  27   7.735   8.613   2.393
  161   2HD1  LEU  27          2HD1      LEU  27   7.160   8.511   0.730
  162   3HD1  LEU  27          3HD1      LEU  27   8.889   8.435   1.071
  163   1HD2  LEU  27          1HD2      LEU  27   9.356   6.214   0.135
  164   2HD2  LEU  27          2HD2      LEU  27   9.064   4.930   1.308
  165   3HD2  LEU  27          3HD2      LEU  27   9.923   6.390   1.796
  166    HA   PRO  28           HA       PRO  28   2.484   5.559   1.300
  167   1HB   PRO  28          2HB       PRO  28   2.961   7.382  -0.938
  168   2HB   PRO  28          1HB       PRO  28   1.524   7.193   0.065
  169   1HG   PRO  28          2HG       PRO  28   3.131   9.358   0.248
  170   2HG   PRO  28          1HG       PRO  28   2.249   8.702   1.638
  171   1HD   PRO  28          2HD       PRO  28   5.136   8.441   0.924
  172   2HD   PRO  28          1HD       PRO  28   4.376   8.599   2.521
  173    H    VAL  29           H        VAL  29   2.304   3.971  -0.153
  174    HA   VAL  29           HA       VAL  29   4.673   3.394  -1.795
  175    HB   VAL  29           HB       VAL  29   2.546   1.437  -0.887
  176   1HG1  VAL  29          1HG1      VAL  29   3.688  -0.193  -1.976
  177   2HG1  VAL  29          2HG1      VAL  29   5.253   0.585  -1.736
  178   3HG1  VAL  29          3HG1      VAL  29   4.167   1.160  -3.000
  179   1HG2  VAL  29          1HG2      VAL  29   3.716   0.967   0.980
  180   2HG2  VAL  29          2HG2      VAL  29   4.313   2.616   0.780
  181   3HG2  VAL  29          3HG2      VAL  29   5.276   1.254   0.207
  Start of MODEL    3
    1    H    ALA   1           H        ALA   1   5.744   2.186  -3.097
    2    HA   ALA   1           HA       ALA   1   3.881   3.236  -4.911
    3   1HB   ALA   1          1HB       ALA   1   5.502   2.583  -6.645
    4   2HB   ALA   1          2HB       ALA   1   6.399   1.668  -5.434
    5   3HB   ALA   1          3HB       ALA   1   6.258   3.420  -5.289
    6    H    GLY   2           H        GLY   2   2.224   2.368  -5.891
    7   1HA   GLY   2          2HA       GLY   2   0.842   0.864  -6.928
    8   2HA   GLY   2          1HA       GLY   2   2.226  -0.206  -7.071
    9    H    GLU   3           H        GLU   3   1.312   0.886  -3.918
   10    HA   GLU   3           HA       GLU   3   0.192  -1.785  -3.374
   11   1HB   GLU   3          2HB       GLU   3   2.397  -1.234  -2.300
   12   2HB   GLU   3          1HB       GLU   3   1.590   0.051  -1.428
   13   1HG   GLU   3          2HG       GLU   3   1.790  -1.778   0.036
   14   2HG   GLU   3          1HG       GLU   3   0.097  -1.668  -0.429
   15    H    THR   4           H        THR   4  -1.932  -1.662  -3.155
   16    HA   THR   4           HA       THR   4  -3.080   0.744  -1.930
   17    HB   THR   4           HB       THR   4  -5.238   0.011  -2.912
   18    HG1  THR   4           HG1      THR   4  -3.888  -2.229  -3.367
   19   1HG2  THR   4          1HG2      THR   4  -4.829   1.160  -4.821
   20   2HG2  THR   4          2HG2      THR   4  -3.463   0.138  -5.270
   21   3HG2  THR   4          3HG2      THR   4  -3.250   1.422  -4.080
   22    H    CYS   5           H        CYS   5  -4.741   0.536  -0.396
   23    HA   CYS   5           HA       CYS   5  -4.784  -2.077   0.968
   24   1HB   CYS   5          2HB       CYS   5  -3.558  -0.196   2.180
   25   2HB   CYS   5          1HB       CYS   5  -5.123   0.598   2.341
   26    H    VAL   6           H        VAL   6  -6.564  -1.465  -1.046
   27    HA   VAL   6           HA       VAL   6  -8.972  -0.289  -0.194
   28    HB   VAL   6           HB       VAL   6  -8.703  -2.483  -2.253
   29   1HG1  VAL   6          1HG1      VAL   6 -10.646  -0.346  -2.685
   30   2HG1  VAL   6          2HG1      VAL   6 -10.972  -1.327  -1.256
   31   3HG1  VAL   6          3HG1      VAL   6 -10.827  -2.094  -2.837
   32   1HG2  VAL   6          1HG2      VAL   6  -8.820   0.277  -3.209
   33   2HG2  VAL   6          2HG2      VAL   6  -7.793  -1.060  -3.726
   34   3HG2  VAL   6          3HG2      VAL   6  -7.351  -0.106  -2.311
   35    H    GLY   7           H        GLY   7  -7.784  -3.600  -0.032
   36   1HA   GLY   7          2HA       GLY   7 -10.246  -4.571   1.168
   37   2HA   GLY   7          1HA       GLY   7  -8.813  -5.508   0.802
   38    H    GLY   8           H        GLY   8  -8.107  -2.677   2.417
   39   1HA   GLY   8          2HA       GLY   8  -7.501  -2.166   4.582
   40   2HA   GLY   8          1HA       GLY   8  -8.556  -3.466   5.103
   41    H    THR   9           H        THR   9  -6.114  -4.204   2.851
   42    HA   THR   9           HA       THR   9  -4.176  -5.033   4.838
   43    HB   THR   9           HB       THR   9  -4.190  -7.342   3.480
   44    HG1  THR   9           HG1      THR   9  -6.929  -6.531   3.555
   45   1HG2  THR   9          1HG2      THR   9  -5.744  -8.218   5.338
   46   2HG2  THR   9          2HG2      THR   9  -5.764  -6.552   5.914
   47   3HG2  THR   9          3HG2      THR   9  -4.240  -7.434   5.818
   48    H    CYS  10           H        CYS  10  -2.112  -5.384   3.968
   49    HA   CYS  10           HA       CYS  10  -1.812  -4.616   1.140
   50   1HB   CYS  10          2HB       CYS  10   0.307  -4.266   3.251
   51   2HB   CYS  10          1HB       CYS  10   0.265  -3.575   1.642
   52    H    ASN  11           H        ASN  11   0.241  -5.401   0.189
   53    HA   ASN  11           HA       ASN  11   0.527  -8.264   0.695
   54   1HB   ASN  11          2HB       ASN  11   1.764  -6.560  -1.488
   55   2HB   ASN  11          1HB       ASN  11   1.688  -8.317  -1.443
   56   1HD2  ASN  11          1HD2      ASN  11   0.216  -5.493  -2.508
   57   2HD2  ASN  11          2HD2      ASN  11  -1.281  -6.188  -3.038
   58    H    THR  12           H        THR  12   2.231  -5.249   0.765
   59    HA   THR  12           HA       THR  12   4.851  -6.229   1.188
   60    HB   THR  12           HB       THR  12   3.724  -3.555   2.040
   61    HG1  THR  12           HG1      THR  12   3.300  -3.995  -0.191
   62   1HG2  THR  12          1HG2      THR  12   6.319  -3.277   1.058
   63   2HG2  THR  12          2HG2      THR  12   6.369  -4.724   2.065
   64   3HG2  THR  12          3HG2      THR  12   5.813  -3.194   2.745
   65    HA   PRO  13           HA       PRO  13   4.361  -7.549   5.420
   66   1HB   PRO  13          2HB       PRO  13   7.021  -7.898   5.945
   67   2HB   PRO  13          1HB       PRO  13   6.029  -9.074   5.077
   68   1HG   PRO  13          2HG       PRO  13   7.916  -7.023   4.001
   69   2HG   PRO  13          1HG       PRO  13   7.656  -8.697   3.482
   70   1HD   PRO  13          2HD       PRO  13   6.613  -6.589   2.148
   71   2HD   PRO  13          1HD       PRO  13   5.788  -8.159   2.241
   72    H    GLY  14           H        GLY  14   4.185  -6.428   7.215
   73   1HA   GLY  14          2HA       GLY  14   4.489  -4.835   8.840
   74   2HA   GLY  14          1HA       GLY  14   6.101  -4.579   8.192
   75    H    ALA  15           H        ALA  15   3.179  -4.210   6.289
   76    HA   ALA  15           HA       ALA  15   3.839  -1.377   5.967
   77   1HB   ALA  15          1HB       ALA  15   1.717  -2.567   4.300
   78   2HB   ALA  15          2HB       ALA  15   3.342  -3.212   4.066
   79   3HB   ALA  15          3HB       ALA  15   3.039  -1.487   3.859
   80    H    THR  16           H        THR  16   2.451   0.227   6.466
   81    HA   THR  16           HA       THR  16   0.207  -0.452   8.187
   82    HB   THR  16           HB       THR  16   0.979   2.356   7.510
   83    HG1  THR  16           HG1      THR  16   2.588   0.458   8.709
   84   1HG2  THR  16          1HG2      THR  16  -0.918   1.440   9.124
   85   2HG2  THR  16          2HG2      THR  16  -0.003   2.899   9.504
   86   3HG2  THR  16          3HG2      THR  16   0.431   1.365  10.258
   87    H    CYS  17           H        CYS  17  -1.898   0.295   7.789
   88    HA   CYS  17           HA       CYS  17  -2.520   0.519   4.970
   89   1HB   CYS  17          2HB       CYS  17  -3.774  -1.049   6.444
   90   2HB   CYS  17          1HB       CYS  17  -4.423   0.341   7.308
   91    H    SER  18           H        SER  18  -3.304   2.232   3.966
   92    HA   SER  18           HA       SER  18  -4.174   4.583   5.457
   93   1HB   SER  18          2HB       SER  18  -2.086   4.657   3.262
   94   2HB   SER  18          1HB       SER  18  -2.767   6.060   4.084
   95    HG   SER  18           HG       SER  18  -1.904   4.529   5.996
   96    H    TRP  19           H        TRP  19  -5.970   3.112   4.542
   97    HA   TRP  19           HA       TRP  19  -6.777   2.618   2.104
   98   1HB   TRP  19          2HB       TRP  19  -8.115   2.663   4.373
   99   2HB   TRP  19          1HB       TRP  19  -8.777   4.153   3.705
  100    HD1  TRP  19           HD1      TRP  19  -8.842   0.381   3.250
  101    HE1  TRP  19           HE1      TRP  19 -10.677  -0.242   1.558
  102    HE3  TRP  19           HE3      TRP  19 -10.072   5.066   1.645
  103    HZ2  TRP  19           HZ2      TRP  19 -12.421   1.082  -0.218
  104    HZ3  TRP  19           HZ3      TRP  19 -11.840   5.308  -0.054
  105    HH2  TRP  19           HH2      TRP  19 -12.989   3.354  -0.965
  106    HA   PRO  20           HA       PRO  20  -7.486   2.409   0.543
  107   1HB   PRO  20          2HB       PRO  20  -7.658   2.655  -2.075
  108   2HB   PRO  20          1HB       PRO  20  -8.975   3.191  -1.032
  109   1HG   PRO  20          2HG       PRO  20  -6.950   4.808  -2.491
  110   2HG   PRO  20          1HG       PRO  20  -8.641   5.189  -2.127
  111   1HD   PRO  20          2HD       PRO  20  -6.336   6.028  -0.683
  112   2HD   PRO  20          1HD       PRO  20  -8.035   6.266  -0.226
  113    H    VAL  21           H        VAL  21  -4.827   3.839   0.958
  114    HA   VAL  21           HA       VAL  21  -3.296   2.150  -0.920
  115    HB   VAL  21           HB       VAL  21  -1.447   3.854  -0.813
  116   1HG1  VAL  21          1HG1      VAL  21  -3.896   5.007  -2.104
  117   2HG1  VAL  21          2HG1      VAL  21  -3.163   3.515  -2.692
  118   3HG1  VAL  21          3HG1      VAL  21  -2.231   5.011  -2.684
  119   1HG2  VAL  21          1HG2      VAL  21  -2.646   6.238  -0.477
  120   2HG2  VAL  21          2HG2      VAL  21  -1.758   5.400   0.796
  121   3HG2  VAL  21          3HG2      VAL  21  -3.516   5.281   0.722
  122    H    CYS  22           H        CYS  22  -0.893   2.022  -0.132
  123    HA   CYS  22           HA       CYS  22  -0.983   1.407   2.753
  124   1HB   CYS  22          2HB       CYS  22   0.446  -0.020   0.504
  125   2HB   CYS  22          1HB       CYS  22   0.743  -0.348   2.210
  126    H    THR  23           H        THR  23   0.745   1.951   4.035
  127    HA   THR  23           HA       THR  23   2.980   3.384   2.774
  128    HB   THR  23           HB       THR  23   2.916   5.044   4.661
  129    HG1  THR  23           HG1      THR  23   0.225   4.642   5.137
  130   1HG2  THR  23          1HG2      THR  23   1.299   4.963   2.315
  131   2HG2  THR  23          2HG2      THR  23   1.961   6.370   3.146
  132   3HG2  THR  23          3HG2      THR  23   0.374   5.746   3.596
  133    H    ARG  24           H        ARG  24   4.855   3.569   4.193
  134    HA   ARG  24           HA       ARG  24   4.886   1.926   6.574
  135   1HB   ARG  24          2HB       ARG  24   5.349   0.335   4.692
  136   2HB   ARG  24          1HB       ARG  24   6.763   1.297   4.285
  137   1HG   ARG  24          2HG       ARG  24   7.844   0.742   6.315
  138   2HG   ARG  24          1HG       ARG  24   6.367   0.050   6.990
  139   1HD   ARG  24          2HD       ARG  24   7.852  -1.724   6.312
  140   2HD   ARG  24          1HD       ARG  24   6.436  -1.708   5.264
  141    HE   ARG  24           HE       ARG  24   8.443  -0.178   4.058
  142   1HH1  ARG  24          1HH1      ARG  24   7.763  -3.509   4.895
  143   2HH1  ARG  24          2HH1      ARG  24   8.735  -4.163   3.618
  144   1HH2  ARG  24          1HH2      ARG  24   9.724  -1.038   2.358
  145   2HH2  ARG  24          2HH2      ARG  24   9.852  -2.755   2.169
  146    H    ASN  25           H        ASN  25   6.082   2.909   8.038
  147    HA   ASN  25           HA       ASN  25   7.478   4.378   9.056
  148   1HB   ASN  25          2HB       ASN  25   9.170   2.986   7.739
  149   2HB   ASN  25          1HB       ASN  25   9.194   4.301   6.570
  150   1HD2  ASN  25          1HD2      ASN  25  10.782   5.684   6.847
  151   2HD2  ASN  25          2HD2      ASN  25  11.543   6.080   8.344
  152    H    GLY  26           H        GLY  26   5.283   5.360   7.535
  153   1HA   GLY  26          2HA       GLY  26   4.403   7.436   7.076
  154   2HA   GLY  26          1HA       GLY  26   5.968   8.133   7.457
  155    H    LEU  27           H        LEU  27   6.112   5.666   5.116
  156    HA   LEU  27           HA       LEU  27   6.104   7.669   2.954
  157   1HB   LEU  27          2HB       LEU  27   7.940   5.290   3.272
  158   2HB   LEU  27          1HB       LEU  27   7.898   6.348   1.877
  159    HG   LEU  27           HG       LEU  27   8.657   7.203   4.672
  160   1HD1  LEU  27          1HD1      LEU  27  10.695   6.449   4.246
  161   2HD1  LEU  27          2HD1      LEU  27  10.772   7.467   2.807
  162   3HD1  LEU  27          3HD1      LEU  27  10.148   5.821   2.691
  163   1HD2  LEU  27          1HD2      LEU  27   9.379   9.272   3.601
  164   2HD2  LEU  27          2HD2      LEU  27   7.656   8.998   3.345
  165   3HD2  LEU  27          3HD2      LEU  27   8.802   8.678   2.044
  166    HA   PRO  28           HA       PRO  28   2.978   4.964   1.340
  167   1HB   PRO  28          2HB       PRO  28   3.382   6.311  -1.215
  168   2HB   PRO  28          1HB       PRO  28   1.956   6.280  -0.180
  169   1HG   PRO  28          2HG       PRO  28   3.493   8.495  -0.489
  170   2HG   PRO  28          1HG       PRO  28   2.598   8.139   0.997
  171   1HD   PRO  28          2HD       PRO  28   5.509   7.831   0.416
  172   2HD   PRO  28          1HD       PRO  28   4.699   8.307   1.922
  173    H    VAL  29           H        VAL  29   2.937   3.112   0.228
  174    HA   VAL  29           HA       VAL  29   5.438   2.238  -0.983
  175    HB   VAL  29           HB       VAL  29   2.935   0.611  -0.433
  176   1HG1  VAL  29          1HG1      VAL  29   5.656  -0.572  -0.667
  177   2HG1  VAL  29          2HG1      VAL  29   4.842  -0.075  -2.150
  178   3HG1  VAL  29          3HG1      VAL  29   4.084  -1.257  -1.081
  179   1HG2  VAL  29          1HG2      VAL  29   4.685  -0.280   1.381
  180   2HG2  VAL  29          2HG2      VAL  29   3.552   1.031   1.709
  181   3HG2  VAL  29          3HG2      VAL  29   5.222   1.396   1.278
  Start of MODEL    4
    1    H    ALA   1           H        ALA   1   5.166   3.060  -3.349
    2    HA   ALA   1           HA       ALA   1   2.892   3.783  -4.826
    3   1HB   ALA   1          1HB       ALA   1   4.340   4.237  -6.482
    4   2HB   ALA   1          2HB       ALA   1   5.138   2.669  -6.357
    5   3HB   ALA   1          3HB       ALA   1   5.558   3.964  -5.236
    6    H    GLY   2           H        GLY   2   1.373   2.642  -5.811
    7   1HA   GLY   2          2HA       GLY   2   0.421   0.903  -7.033
    8   2HA   GLY   2          1HA       GLY   2   1.887  -0.034  -6.796
    9    H    GLU   3           H        GLU   3   1.866   0.368  -3.907
   10    HA   GLU   3           HA       GLU   3   0.278  -1.888  -3.205
   11   1HB   GLU   3          2HB       GLU   3   2.506  -1.153  -2.200
   12   2HB   GLU   3          1HB       GLU   3   1.592   0.046  -1.307
   13   1HG   GLU   3          2HG       GLU   3   1.960  -1.789   0.125
   14   2HG   GLU   3          1HG       GLU   3   0.260  -1.804  -0.323
   15    H    THR   4           H        THR   4  -1.853  -1.742  -3.061
   16    HA   THR   4           HA       THR   4  -3.008   0.681  -1.894
   17    HB   THR   4           HB       THR   4  -5.173  -0.171  -2.901
   18    HG1  THR   4           HG1      THR   4  -3.431  -1.704  -4.552
   19   1HG2  THR   4          1HG2      THR   4  -4.399   0.505  -5.278
   20   2HG2  THR   4          2HG2      THR   4  -2.834   0.791  -4.515
   21   3HG2  THR   4          3HG2      THR   4  -4.256   1.684  -3.973
   22    H    CYS   5           H        CYS   5  -4.737   0.486  -0.413
   23    HA   CYS   5           HA       CYS   5  -4.783  -2.100   0.999
   24   1HB   CYS   5          2HB       CYS   5  -3.575  -0.196   2.193
   25   2HB   CYS   5          1HB       CYS   5  -5.145   0.596   2.321
   26    H    VAL   6           H        VAL   6  -6.526  -1.484  -1.060
   27    HA   VAL   6           HA       VAL   6  -8.957  -0.327  -0.246
   28    HB   VAL   6           HB       VAL   6  -8.641  -2.518  -2.301
   29   1HG1  VAL   6          1HG1      VAL   6 -10.943  -1.495  -1.353
   30   2HG1  VAL   6          2HG1      VAL   6 -10.737  -2.077  -3.004
   31   3HG1  VAL   6          3HG1      VAL   6 -10.606  -0.354  -2.654
   32   1HG2  VAL   6          1HG2      VAL   6  -8.357   0.466  -2.642
   33   2HG2  VAL   6          2HG2      VAL   6  -8.374  -0.720  -3.948
   34   3HG2  VAL   6          3HG2      VAL   6  -7.064  -0.726  -2.768
   35    H    GLY   7           H        GLY   7  -7.752  -3.633  -0.082
   36   1HA   GLY   7          2HA       GLY   7 -10.216  -4.619   1.100
   37   2HA   GLY   7          1HA       GLY   7  -8.773  -5.547   0.747
   38    H    GLY   8           H        GLY   8  -8.090  -2.714   2.355
   39   1HA   GLY   8          2HA       GLY   8  -7.514  -2.184   4.524
   40   2HA   GLY   8          1HA       GLY   8  -8.557  -3.496   5.042
   41    H    THR   9           H        THR   9  -6.088  -4.225   2.812
   42    HA   THR   9           HA       THR   9  -4.154  -5.003   4.822
   43    HB   THR   9           HB       THR   9  -4.128  -7.333   3.508
   44    HG1  THR   9           HG1      THR   9  -6.877  -6.557   3.540
   45   1HG2  THR   9          1HG2      THR   9  -5.741  -8.166   5.367
   46   2HG2  THR   9          2HG2      THR   9  -5.686  -6.494   5.925
   47   3HG2  THR   9          3HG2      THR   9  -4.201  -7.440   5.827
   48    H    CYS  10           H        CYS  10  -2.083  -5.331   3.986
   49    HA   CYS  10           HA       CYS  10  -1.752  -4.586   1.156
   50   1HB   CYS  10          2HB       CYS  10   0.352  -4.284   3.291
   51   2HB   CYS  10          1HB       CYS  10   0.349  -3.594   1.681
   52    H    ASN  11           H        ASN  11   0.305  -5.411   0.222
   53    HA   ASN  11           HA       ASN  11   0.502  -8.285   0.689
   54   1HB   ASN  11          2HB       ASN  11   1.905  -6.590  -1.397
   55   2HB   ASN  11          1HB       ASN  11   1.730  -8.340  -1.402
   56   1HD2  ASN  11          1HD2      ASN  11   0.483  -5.424  -2.481
   57   2HD2  ASN  11          2HD2      ASN  11  -1.033  -6.012  -3.084
   58    H    THR  12           H        THR  12   2.296  -5.329   0.864
   59    HA   THR  12           HA       THR  12   4.864  -6.405   1.400
   60    HB   THR  12           HB       THR  12   3.781  -3.685   2.162
   61    HG1  THR  12           HG1      THR  12   3.503  -4.148  -0.089
   62   1HG2  THR  12          1HG2      THR  12   6.206  -4.809   2.791
   63   2HG2  THR  12          2HG2      THR  12   5.882  -3.078   2.678
   64   3HG2  THR  12          3HG2      THR  12   6.565  -3.939   1.299
   65    HA   PRO  13           HA       PRO  13   4.151  -7.652   5.622
   66   1HB   PRO  13          2HB       PRO  13   7.071  -7.845   5.785
   67   2HB   PRO  13          1HB       PRO  13   5.857  -9.116   5.942
   68   1HG   PRO  13          2HG       PRO  13   7.496  -8.917   3.807
   69   2HG   PRO  13          1HG       PRO  13   5.856  -9.574   3.694
   70   1HD   PRO  13          2HD       PRO  13   6.883  -6.883   2.901
   71   2HD   PRO  13          1HD       PRO  13   5.659  -7.902   2.119
   72    H    GLY  14           H        GLY  14   3.995  -6.465   7.393
   73   1HA   GLY  14          2HA       GLY  14   4.383  -4.853   8.987
   74   2HA   GLY  14          1HA       GLY  14   6.006  -4.689   8.335
   75    H    ALA  15           H        ALA  15   3.107  -4.243   6.419
   76    HA   ALA  15           HA       ALA  15   3.876  -1.446   6.027
   77   1HB   ALA  15          1HB       ALA  15   3.448  -1.839   3.886
   78   2HB   ALA  15          2HB       ALA  15   1.762  -2.166   4.288
   79   3HB   ALA  15          3HB       ALA  15   2.936  -3.482   4.275
   80    H    THR  16           H        THR  16   2.499   0.224   6.415
   81    HA   THR  16           HA       THR  16   0.263  -0.337   8.186
   82    HB   THR  16           HB       THR  16   1.050   2.425   7.359
   83    HG1  THR  16           HG1      THR  16   2.678   0.574   8.593
   84   1HG2  THR  16          1HG2      THR  16   0.738   2.059  10.162
   85   2HG2  THR  16          2HG2      THR  16  -0.593   1.235   9.350
   86   3HG2  THR  16          3HG2      THR  16  -0.302   2.949   9.050
   87    H    CYS  17           H        CYS  17  -1.842   0.417   7.770
   88    HA   CYS  17           HA       CYS  17  -2.473   0.548   4.939
   89   1HB   CYS  17          2HB       CYS  17  -3.726  -1.000   6.420
   90   2HB   CYS  17          1HB       CYS  17  -4.355   0.390   7.299
   91    H    SER  18           H        SER  18  -3.292   2.242   3.908
   92    HA   SER  18           HA       SER  18  -4.152   4.612   5.367
   93   1HB   SER  18          2HB       SER  18  -2.005   4.624   3.230
   94   2HB   SER  18          1HB       SER  18  -2.730   6.063   3.944
   95    HG   SER  18           HG       SER  18  -1.943   4.626   5.968
   96    H    TRP  19           H        TRP  19  -5.957   3.166   4.459
   97    HA   TRP  19           HA       TRP  19  -6.750   2.663   2.011
   98   1HB   TRP  19          2HB       TRP  19  -8.098   2.739   4.284
   99   2HB   TRP  19          1HB       TRP  19  -8.755   4.216   3.582
  100    HD1  TRP  19           HD1      TRP  19  -8.797   0.434   3.182
  101    HE1  TRP  19           HE1      TRP  19 -10.623  -0.224   1.493
  102    HE3  TRP  19           HE3      TRP  19 -10.054   5.089   1.513
  103    HZ2  TRP  19           HZ2      TRP  19 -12.369   1.066  -0.307
  104    HZ3  TRP  19           HZ3      TRP  19 -11.817   5.297  -0.195
  105    HH2  TRP  19           HH2      TRP  19 -12.950   3.324  -1.086
  106    HA   PRO  20           HA       PRO  20  -7.504   2.459   0.459
  107   1HB   PRO  20          2HB       PRO  20  -7.637   2.684  -2.163
  108   2HB   PRO  20          1HB       PRO  20  -8.952   3.269  -1.143
  109   1HG   PRO  20          2HG       PRO  20  -6.842   4.813  -2.569
  110   2HG   PRO  20          1HG       PRO  20  -8.537   5.237  -2.274
  111   1HD   PRO  20          2HD       PRO  20  -6.286   6.071  -0.767
  112   2HD   PRO  20          1HD       PRO  20  -7.995   6.299  -0.343
  113    H    VAL  21           H        VAL  21  -4.805   3.869   0.860
  114    HA   VAL  21           HA       VAL  21  -3.308   2.086  -0.955
  115    HB   VAL  21           HB       VAL  21  -1.418   3.720  -0.918
  116   1HG1  VAL  21          1HG1      VAL  21  -3.743   3.677  -2.501
  117   2HG1  VAL  21          2HG1      VAL  21  -2.145   4.278  -2.941
  118   3HG1  VAL  21          3HG1      VAL  21  -3.339   5.375  -2.248
  119   1HG2  VAL  21          1HG2      VAL  21  -1.483   5.594   0.269
  120   2HG2  VAL  21          2HG2      VAL  21  -3.001   5.036   0.971
  121   3HG2  VAL  21          3HG2      VAL  21  -3.018   6.065  -0.460
  122    H    CYS  22           H        CYS  22  -0.870   2.052  -0.126
  123    HA   CYS  22           HA       CYS  22  -1.016   1.403   2.748
  124   1HB   CYS  22          2HB       CYS  22   0.461   0.034   0.498
  125   2HB   CYS  22          1HB       CYS  22   0.794  -0.290   2.195
  126    H    THR  23           H        THR  23   0.785   1.846   4.045
  127    HA   THR  23           HA       THR  23   2.874   3.516   2.823
  128    HB   THR  23           HB       THR  23   2.847   4.851   5.015
  129    HG1  THR  23           HG1      THR  23   0.148   4.461   5.320
  130   1HG2  THR  23          1HG2      THR  23   0.585   6.033   4.154
  131   2HG2  THR  23          2HG2      THR  23   0.954   5.040   2.744
  132   3HG2  THR  23          3HG2      THR  23   2.137   6.206   3.337
  133    H    ARG  24           H        ARG  24   4.846   3.616   4.055
  134    HA   ARG  24           HA       ARG  24   5.178   1.733   6.231
  135   1HB   ARG  24          2HB       ARG  24   5.511   0.353   4.188
  136   2HB   ARG  24          1HB       ARG  24   6.789   1.450   3.682
  137   1HG   ARG  24          2HG       ARG  24   8.150   0.832   5.551
  138   2HG   ARG  24          1HG       ARG  24   6.840  -0.122   6.246
  139   1HD   ARG  24          2HD       ARG  24   8.483  -1.554   5.157
  140   2HD   ARG  24          1HD       ARG  24   6.924  -1.642   4.339
  141    HE   ARG  24           HE       ARG  24   8.437   0.305   3.046
  142   1HH1  ARG  24          1HH1      ARG  24   8.558  -3.138   3.619
  143   2HH1  ARG  24          2HH1      ARG  24   9.371  -3.496   2.131
  144   1HH2  ARG  24          1HH2      ARG  24   9.519  -0.153   1.069
  145   2HH2  ARG  24          2HH2      ARG  24   9.922  -1.790   0.677
  146    H    ASN  25           H        ASN  25   6.587   2.531   7.652
  147    HA   ASN  25           HA       ASN  25   8.023   3.957   8.673
  148   1HB   ASN  25          2HB       ASN  25   9.570   2.806   6.994
  149   2HB   ASN  25          1HB       ASN  25   9.420   4.261   6.013
  150   1HD2  ASN  25          1HD2      ASN  25  11.005   5.653   6.278
  151   2HD2  ASN  25          2HD2      ASN  25  11.928   5.887   7.717
  152    H    GLY  26           H        GLY  26   5.632   5.037   7.527
  153   1HA   GLY  26          2HA       GLY  26   4.674   7.128   7.496
  154   2HA   GLY  26          1HA       GLY  26   6.265   7.816   7.762
  155    H    LEU  27           H        LEU  27   6.020   5.714   5.043
  156    HA   LEU  27           HA       LEU  27   5.506   7.997   3.278
  157   1HB   LEU  27          2HB       LEU  27   7.339   7.347   1.787
  158   2HB   LEU  27          1HB       LEU  27   7.914   7.832   3.366
  159    HG   LEU  27           HG       LEU  27   7.831   5.182   3.755
  160   1HD1  LEU  27          1HD1      LEU  27   7.103   4.417   1.678
  161   2HD1  LEU  27          2HD1      LEU  27   8.852   4.204   1.617
  162   3HD1  LEU  27          3HD1      LEU  27   8.101   5.573   0.796
  163   1HD2  LEU  27          1HD2      LEU  27  10.056   6.676   2.376
  164   2HD2  LEU  27          2HD2      LEU  27  10.223   5.163   3.267
  165   3HD2  LEU  27          3HD2      LEU  27   9.752   6.637   4.113
  166    HA   PRO  28           HA       PRO  28   2.685   5.178   1.470
  167   1HB   PRO  28          2HB       PRO  28   2.882   6.718  -1.000
  168   2HB   PRO  28          1HB       PRO  28   1.504   6.501   0.077
  169   1HG   PRO  28          2HG       PRO  28   2.863   8.846  -0.134
  170   2HG   PRO  28          1HG       PRO  28   2.028   8.332   1.341
  171   1HD   PRO  28          2HD       PRO  28   4.938   8.326   0.712
  172   2HD   PRO  28          1HD       PRO  28   4.113   8.582   2.260
  173    H    VAL  29           H        VAL  29   2.721   3.416   0.254
  174    HA   VAL  29           HA       VAL  29   5.174   2.833  -1.223
  175    HB   VAL  29           HB       VAL  29   2.949   0.930  -0.400
  176   1HG1  VAL  29          1HG1      VAL  29   4.522  -0.830  -0.951
  177   2HG1  VAL  29          2HG1      VAL  29   5.755   0.358  -1.373
  178   3HG1  VAL  29          3HG1      VAL  29   4.298   0.215  -2.356
  179   1HG2  VAL  29          1HG2      VAL  29   4.261   2.046   1.470
  180   2HG2  VAL  29          2HG2      VAL  29   5.668   1.168   0.869
  181   3HG2  VAL  29          3HG2      VAL  29   4.256   0.283   1.448
  Start of MODEL    5
    1    H    ALA   1           H        ALA   1   5.858   1.794  -3.097
    2    HA   ALA   1           HA       ALA   1   4.159   2.938  -5.000
    3   1HB   ALA   1          1HB       ALA   1   6.759   2.337  -4.976
    4   2HB   ALA   1          2HB       ALA   1   5.859   2.647  -6.461
    5   3HB   ALA   1          3HB       ALA   1   6.167   0.988  -5.947
    6    H    GLY   2           H        GLY   2   2.381   2.209  -5.867
    7   1HA   GLY   2          2HA       GLY   2   0.837   0.831  -6.844
    8   2HA   GLY   2          1HA       GLY   2   2.124  -0.345  -7.049
    9    H    GLU   3           H        GLU   3   1.363   0.795  -3.852
   10    HA   GLU   3           HA       GLU   3   0.125  -1.821  -3.305
   11   1HB   GLU   3          2HB       GLU   3   2.322  -1.347  -2.187
   12   2HB   GLU   3          1HB       GLU   3   1.548  -0.021  -1.343
   13   1HG   GLU   3          2HG       GLU   3   1.597  -1.822   0.153
   14   2HG   GLU   3          1HG       GLU   3  -0.066  -1.692  -0.410
   15    H    THR   4           H        THR   4  -1.978  -1.687  -3.029
   16    HA   THR   4           HA       THR   4  -3.096   0.772  -1.881
   17    HB   THR   4           HB       THR   4  -5.267   0.039  -2.833
   18    HG1  THR   4           HG1      THR   4  -3.936  -2.229  -3.239
   19   1HG2  THR   4          1HG2      THR   4  -3.320   0.120  -5.103
   20   2HG2  THR   4          2HG2      THR   4  -3.449   1.504  -4.019
   21   3HG2  THR   4          3HG2      THR   4  -4.863   0.954  -4.918
   22    H    CYS   5           H        CYS   5  -4.758   0.609  -0.329
   23    HA   CYS   5           HA       CYS   5  -4.791  -1.974   1.090
   24   1HB   CYS   5          2HB       CYS   5  -3.564  -0.067   2.257
   25   2HB   CYS   5          1HB       CYS   5  -5.131   0.726   2.411
   26    H    VAL   6           H        VAL   6  -6.581  -1.382  -0.936
   27    HA   VAL   6           HA       VAL   6  -8.995  -0.223  -0.074
   28    HB   VAL   6           HB       VAL   6  -8.720  -2.425  -2.121
   29   1HG1  VAL   6          1HG1      VAL   6 -10.671  -0.741  -2.997
   30   2HG1  VAL   6          2HG1      VAL   6 -10.911  -0.691  -1.250
   31   3HG1  VAL   6          3HG1      VAL   6 -10.953  -2.235  -2.103
   32   1HG2  VAL   6          1HG2      VAL   6  -8.810   0.425  -2.931
   33   2HG2  VAL   6          2HG2      VAL   6  -8.013  -0.948  -3.700
   34   3HG2  VAL   6          3HG2      VAL   6  -7.289  -0.190  -2.281
   35    H    GLY   7           H        GLY   7  -7.780  -3.525   0.076
   36   1HA   GLY   7          2HA       GLY   7 -10.212  -4.497   1.344
   37   2HA   GLY   7          1HA       GLY   7  -8.796  -5.438   0.924
   38    H    GLY   8           H        GLY   8  -8.034  -2.612   2.522
   39   1HA   GLY   8          2HA       GLY   8  -7.333  -2.108   4.658
   40   2HA   GLY   8          1HA       GLY   8  -8.387  -3.391   5.219
   41    H    THR   9           H        THR   9  -5.974  -4.093   2.898
   42    HA   THR   9           HA       THR   9  -4.032  -4.999   4.849
   43    HB   THR   9           HB       THR   9  -4.070  -7.261   3.410
   44    HG1  THR   9           HG1      THR   9  -6.810  -6.468   3.567
   45   1HG2  THR   9          1HG2      THR   9  -5.375  -6.460   5.949
   46   2HG2  THR   9          2HG2      THR   9  -4.127  -7.669   5.648
   47   3HG2  THR   9          3HG2      THR   9  -5.814  -8.034   5.285
   48    H    CYS  10           H        CYS  10  -1.975  -5.345   3.971
   49    HA   CYS  10           HA       CYS  10  -1.661  -4.555   1.149
   50   1HB   CYS  10          2HB       CYS  10   0.469  -4.144   3.227
   51   2HB   CYS  10          1HB       CYS  10   0.333  -3.407   1.645
   52    H    ASN  11           H        ASN  11   0.350  -5.354   0.181
   53    HA   ASN  11           HA       ASN  11   0.713  -8.182   0.791
   54   1HB   ASN  11          2HB       ASN  11   1.796  -6.476  -1.473
   55   2HB   ASN  11          1HB       ASN  11   1.952  -8.225  -1.349
   56   1HD2  ASN  11          1HD2      ASN  11   0.042  -5.634  -2.401
   57   2HD2  ASN  11          2HD2      ASN  11  -1.336  -6.556  -2.905
   58    H    THR  12           H        THR  12   2.392  -5.147   0.747
   59    HA   THR  12           HA       THR  12   5.021  -6.097   1.203
   60    HB   THR  12           HB       THR  12   3.873  -3.399   1.945
   61    HG1  THR  12           HG1      THR  12   3.479  -3.955  -0.277
   62   1HG2  THR  12          1HG2      THR  12   6.016  -2.610   2.102
   63   2HG2  THR  12          2HG2      THR  12   6.652  -3.796   0.961
   64   3HG2  THR  12          3HG2      THR  12   6.290  -4.274   2.620
   65    HA   PRO  13           HA       PRO  13   4.552  -7.263   5.480
   66   1HB   PRO  13          2HB       PRO  13   7.486  -7.292   5.512
   67   2HB   PRO  13          1HB       PRO  13   6.351  -8.617   5.773
   68   1HG   PRO  13          2HG       PRO  13   7.864  -8.422   3.553
   69   2HG   PRO  13          1HG       PRO  13   6.247  -9.144   3.541
   70   1HD   PRO  13          2HD       PRO  13   7.125  -6.438   2.626
   71   2HD   PRO  13          1HD       PRO  13   5.913  -7.530   1.926
   72    H    GLY  14           H        GLY  14   4.411  -6.060   7.242
   73   1HA   GLY  14          2HA       GLY  14   4.791  -4.414   8.802
   74   2HA   GLY  14          1HA       GLY  14   6.362  -4.156   8.059
   75    H    ALA  15           H        ALA  15   3.423  -3.918   6.195
   76    HA   ALA  15           HA       ALA  15   3.962  -1.066   5.831
   77   1HB   ALA  15          1HB       ALA  15   3.240  -3.115   4.050
   78   2HB   ALA  15          2HB       ALA  15   3.427  -1.396   3.701
   79   3HB   ALA  15          3HB       ALA  15   1.847  -2.038   4.156
   80    H    THR  16           H        THR  16   2.555   0.486   6.422
   81    HA   THR  16           HA       THR  16   0.338  -0.300   8.127
   82    HB   THR  16           HB       THR  16   1.050   2.544   7.530
   83    HG1  THR  16           HG1      THR  16   2.633   0.631   8.821
   84   1HG2  THR  16          1HG2      THR  16  -0.751   2.447   8.990
   85   2HG2  THR  16          2HG2      THR  16   0.615   2.575  10.099
   86   3HG2  THR  16          3HG2      THR  16  -0.141   1.009   9.806
   87    H    CYS  17           H        CYS  17  -1.785   0.436   7.780
   88    HA   CYS  17           HA       CYS  17  -2.469   0.655   4.982
   89   1HB   CYS  17          2HB       CYS  17  -3.709  -0.865   6.518
   90   2HB   CYS  17          1HB       CYS  17  -4.316   0.552   7.371
   91    H    SER  18           H        SER  18  -3.285   2.355   3.968
   92    HA   SER  18           HA       SER  18  -4.088   4.743   5.428
   93   1HB   SER  18          2HB       SER  18  -2.022   4.765   3.211
   94   2HB   SER  18          1HB       SER  18  -2.674   6.185   4.027
   95    HG   SER  18           HG       SER  18  -1.808   4.663   5.944
   96    H    TRP  19           H        TRP  19  -5.907   3.276   4.551
   97    HA   TRP  19           HA       TRP  19  -6.741   2.760   2.125
   98   1HB   TRP  19          2HB       TRP  19  -8.054   2.849   4.411
   99   2HB   TRP  19          1HB       TRP  19  -8.717   4.328   3.719
  100    HD1  TRP  19           HD1      TRP  19  -8.785   0.548   3.328
  101    HE1  TRP  19           HE1      TRP  19 -10.641  -0.105   1.669
  102    HE3  TRP  19           HE3      TRP  19 -10.045   5.206   1.663
  103    HZ2  TRP  19           HZ2      TRP  19 -12.408   1.187  -0.108
  104    HZ3  TRP  19           HZ3      TRP  19 -11.833   5.416  -0.019
  105    HH2  TRP  19           HH2      TRP  19 -12.989   3.445  -0.884
  106    HA   PRO  20           HA       PRO  20  -7.485   2.539   0.577
  107   1HB   PRO  20          2HB       PRO  20  -7.674   2.749  -2.041
  108   2HB   PRO  20          1HB       PRO  20  -8.974   3.325  -0.999
  109   1HG   PRO  20          2HG       PRO  20  -6.920   4.884  -2.484
  110   2HG   PRO  20          1HG       PRO  20  -8.608   5.296  -2.138
  111   1HD   PRO  20          2HD       PRO  20  -6.310   6.139  -0.699
  112   2HD   PRO  20          1HD       PRO  20  -8.008   6.381  -0.240
  113    H    VAL  21           H        VAL  21  -4.799   3.956   0.940
  114    HA   VAL  21           HA       VAL  21  -3.308   2.208  -0.917
  115    HB   VAL  21           HB       VAL  21  -1.436   3.892  -0.848
  116   1HG1  VAL  21          1HG1      VAL  21  -3.980   4.832  -2.166
  117   2HG1  VAL  21          2HG1      VAL  21  -2.940   3.551  -2.788
  118   3HG1  VAL  21          3HG1      VAL  21  -2.329   5.201  -2.664
  119   1HG2  VAL  21          1HG2      VAL  21  -2.751   6.280  -0.559
  120   2HG2  VAL  21          2HG2      VAL  21  -1.666   5.551   0.626
  121   3HG2  VAL  21          3HG2      VAL  21  -3.408   5.309   0.759
  122    H    CYS  22           H        CYS  22  -0.889   2.087  -0.138
  123    HA   CYS  22           HA       CYS  22  -0.970   1.534   2.761
  124   1HB   CYS  22          2HB       CYS  22   0.368   0.005   0.528
  125   2HB   CYS  22          1HB       CYS  22   0.735  -0.264   2.230
  126    H    THR  23           H        THR  23   0.734   2.141   4.017
  127    HA   THR  23           HA       THR  23   2.993   3.472   2.682
  128    HB   THR  23           HB       THR  23   3.004   5.146   4.556
  129    HG1  THR  23           HG1      THR  23   0.324   4.796   5.106
  130   1HG2  THR  23          1HG2      THR  23   2.054   6.448   3.019
  131   2HG2  THR  23          2HG2      THR  23   0.467   5.911   3.572
  132   3HG2  THR  23          3HG2      THR  23   1.286   5.048   2.270
  133    H    ARG  24           H        ARG  24   4.951   2.890   3.473
  134    HA   ARG  24           HA       ARG  24   4.969   1.087   5.782
  135   1HB   ARG  24          2HB       ARG  24   5.994   0.271   3.679
  136   2HB   ARG  24          1HB       ARG  24   7.120   1.621   3.719
  137   1HG   ARG  24          2HG       ARG  24   8.005   0.768   5.866
  138   2HG   ARG  24          1HG       ARG  24   6.939  -0.631   5.709
  139   1HD   ARG  24          2HD       ARG  24   9.213  -1.129   4.939
  140   2HD   ARG  24          1HD       ARG  24   8.034  -1.263   3.635
  141    HE   ARG  24           HE       ARG  24   9.169   0.364   2.528
  142   1HH1  ARG  24          1HH1      ARG  24   9.993   0.620   5.921
  143   2HH1  ARG  24          2HH1      ARG  24  11.095   1.935   5.690
  144   1HH2  ARG  24          1HH2      ARG  24  10.626   2.102   2.214
  145   2HH2  ARG  24          2HH2      ARG  24  11.454   2.782   3.574
  146    H    ASN  25           H        ASN  25   5.185   2.182   7.605
  147    HA   ASN  25           HA       ASN  25   5.972   3.585   9.206
  148   1HB   ASN  25          2HB       ASN  25   8.163   2.451   8.489
  149   2HB   ASN  25          1HB       ASN  25   8.486   3.912   7.561
  150   1HD2  ASN  25          1HD2      ASN  25   9.639   5.401   8.564
  151   2HD2  ASN  25          2HD2      ASN  25   9.773   5.601  10.273
  152    H    GLY  26           H        GLY  26   4.370   4.610   7.150
  153   1HA   GLY  26          2HA       GLY  26   3.528   6.766   6.819
  154   2HA   GLY  26          1HA       GLY  26   5.059   7.425   7.370
  155    H    LEU  27           H        LEU  27   6.192   5.308   5.276
  156    HA   LEU  27           HA       LEU  27   6.172   7.264   3.098
  157   1HB   LEU  27          2HB       LEU  27   7.922   4.841   3.524
  158   2HB   LEU  27          1HB       LEU  27   8.089   5.997   2.217
  159    HG   LEU  27           HG       LEU  27   8.461   6.617   5.150
  160   1HD1  LEU  27          1HD1      LEU  27  10.351   5.937   2.939
  161   2HD1  LEU  27          2HD1      LEU  27  10.336   5.382   4.612
  162   3HD1  LEU  27          3HD1      LEU  27  10.856   7.024   4.232
  163   1HD2  LEU  27          1HD2      LEU  27   8.806   8.305   2.676
  164   2HD2  LEU  27          2HD2      LEU  27   9.388   8.753   4.279
  165   3HD2  LEU  27          3HD2      LEU  27   7.658   8.560   3.991
  166    HA   PRO  28           HA       PRO  28   2.977   4.795   1.158
  167   1HB   PRO  28          2HB       PRO  28   3.525   6.046  -1.327
  168   2HB   PRO  28          1HB       PRO  28   2.202   6.368  -0.210
  169   1HG   PRO  28          2HG       PRO  28   4.722   7.837  -0.617
  170   2HG   PRO  28          1HG       PRO  28   3.194   8.402   0.075
  171   1HD   PRO  28          2HD       PRO  28   5.438   7.938   1.552
  172   2HD   PRO  28          1HD       PRO  28   3.794   7.790   2.202
  173    H    VAL  29           H        VAL  29   2.974   2.981   0.100
  174    HA   VAL  29           HA       VAL  29   5.503   2.010  -0.992
  175    HB   VAL  29           HB       VAL  29   2.941   0.465  -0.478
  176   1HG1  VAL  29          1HG1      VAL  29   4.107  -0.825  -2.009
  177   2HG1  VAL  29          2HG1      VAL  29   4.729  -1.439  -0.476
  178   3HG1  VAL  29          3HG1      VAL  29   5.682  -0.292  -1.419
  179   1HG2  VAL  29          1HG2      VAL  29   4.278  -0.460   1.459
  180   2HG2  VAL  29          2HG2      VAL  29   3.718   1.204   1.630
  181   3HG2  VAL  29          3HG2      VAL  29   5.400   0.878   1.210
  Start of MODEL    6
    1    H    ALA   1           H        ALA   1   4.924   3.271  -3.468
    2    HA   ALA   1           HA       ALA   1   2.520   3.912  -4.831
    3   1HB   ALA   1          1HB       ALA   1   5.365   3.552  -5.578
    4   2HB   ALA   1          2HB       ALA   1   4.272   4.902  -5.884
    5   3HB   ALA   1          3HB       ALA   1   4.165   3.442  -6.865
    6    H    GLY   2           H        GLY   2   1.086   2.651  -5.812
    7   1HA   GLY   2          2HA       GLY   2   0.305   0.835  -7.064
    8   2HA   GLY   2          1HA       GLY   2   1.825   0.005  -6.766
    9    H    GLU   3           H        GLU   3   1.791   0.389  -3.928
   10    HA   GLU   3           HA       GLU   3   0.254  -1.892  -3.183
   11   1HB   GLU   3          2HB       GLU   3   2.481  -1.077  -2.204
   12   2HB   GLU   3          1HB       GLU   3   1.529   0.086  -1.301
   13   1HG   GLU   3          2HG       GLU   3   1.885  -1.674   0.172
   14   2HG   GLU   3          1HG       GLU   3   0.235  -1.894  -0.401
   15    H    THR   4           H        THR   4  -1.893  -1.759  -3.040
   16    HA   THR   4           HA       THR   4  -3.054   0.668  -1.879
   17    HB   THR   4           HB       THR   4  -5.218  -0.184  -2.876
   18    HG1  THR   4           HG1      THR   4  -3.480  -1.753  -4.502
   19   1HG2  THR   4          1HG2      THR   4  -4.850   0.948  -4.873
   20   2HG2  THR   4          2HG2      THR   4  -3.203   0.340  -5.032
   21   3HG2  THR   4          3HG2      THR   4  -3.572   1.583  -3.837
   22    H    CYS   5           H        CYS   5  -4.763   0.486  -0.388
   23    HA   CYS   5           HA       CYS   5  -4.810  -2.092   1.039
   24   1HB   CYS   5          2HB       CYS   5  -3.612  -0.175   2.219
   25   2HB   CYS   5          1HB       CYS   5  -5.180   0.617   2.335
   26    H    VAL   6           H        VAL   6  -6.549  -1.466  -1.036
   27    HA   VAL   6           HA       VAL   6  -8.992  -0.338  -0.208
   28    HB   VAL   6           HB       VAL   6  -8.656  -2.489  -2.300
   29   1HG1  VAL   6          1HG1      VAL   6 -10.666  -1.647  -3.269
   30   2HG1  VAL   6          2HG1      VAL   6 -10.708  -0.292  -2.140
   31   3HG1  VAL   6          3HG1      VAL   6 -10.976  -1.935  -1.557
   32   1HG2  VAL   6          1HG2      VAL   6  -8.797   0.275  -3.227
   33   2HG2  VAL   6          2HG2      VAL   6  -7.724  -1.033  -3.723
   34   3HG2  VAL   6          3HG2      VAL   6  -7.346  -0.079  -2.289
   35    H    GLY   7           H        GLY   7  -7.759  -3.636  -0.113
   36   1HA   GLY   7          2HA       GLY   7 -10.209  -4.688   1.013
   37   2HA   GLY   7          1HA       GLY   7  -8.731  -5.579   0.706
   38    H    GLY   8           H        GLY   8  -7.937  -2.840   2.289
   39   1HA   GLY   8          2HA       GLY   8  -7.565  -2.261   4.504
   40   2HA   GLY   8          1HA       GLY   8  -8.553  -3.628   4.980
   41    H    THR   9           H        THR   9  -6.096  -4.424   2.809
   42    HA   THR   9           HA       THR   9  -4.114  -5.000   4.860
   43    HB   THR   9           HB       THR   9  -3.897  -7.374   3.966
   44    HG1  THR   9           HG1      THR   9  -5.450  -6.819   2.178
   45   1HG2  THR   9          1HG2      THR   9  -4.707  -7.607   6.053
   46   2HG2  THR   9          2HG2      THR   9  -6.236  -7.955   5.246
   47   3HG2  THR   9          3HG2      THR   9  -5.901  -6.328   5.838
   48    H    CYS  10           H        CYS  10  -2.048  -5.124   4.068
   49    HA   CYS  10           HA       CYS  10  -1.717  -4.600   1.191
   50   1HB   CYS  10          2HB       CYS  10   0.387  -4.143   3.295
   51   2HB   CYS  10          1HB       CYS  10   0.322  -3.493   1.668
   52    H    ASN  11           H        ASN  11   0.380  -5.433   0.312
   53    HA   ASN  11           HA       ASN  11   0.638  -8.262   1.006
   54   1HB   ASN  11          2HB       ASN  11   0.341  -7.751  -1.353
   55   2HB   ASN  11          1HB       ASN  11   1.692  -6.622  -1.316
   56   1HD2  ASN  11          1HD2      ASN  11   3.501  -7.366  -2.113
   57   2HD2  ASN  11          2HD2      ASN  11   3.989  -9.022  -2.173
   58    H    THR  12           H        THR  12   2.369  -5.256   0.954
   59    HA   THR  12           HA       THR  12   4.977  -6.206   1.458
   60    HB   THR  12           HB       THR  12   3.774  -3.555   2.285
   61    HG1  THR  12           HG1      THR  12   3.528  -3.998   0.025
   62   1HG2  THR  12          1HG2      THR  12   5.864  -2.792   2.715
   63   2HG2  THR  12          2HG2      THR  12   6.596  -3.770   1.442
   64   3HG2  THR  12          3HG2      THR  12   6.201  -4.500   2.998
   65    HA   PRO  13           HA       PRO  13   4.437  -7.654   5.637
   66   1HB   PRO  13          2HB       PRO  13   7.107  -7.805   6.257
   67   2HB   PRO  13          1HB       PRO  13   6.220  -9.047   5.367
   68   1HG   PRO  13          2HG       PRO  13   7.994  -6.878   4.337
   69   2HG   PRO  13          1HG       PRO  13   7.846  -8.561   3.808
   70   1HD   PRO  13          2HD       PRO  13   6.717  -6.528   2.445
   71   2HD   PRO  13          1HD       PRO  13   5.965  -8.135   2.538
   72    H    GLY  14           H        GLY  14   3.999  -6.535   7.362
   73   1HA   GLY  14          2HA       GLY  14   4.049  -4.960   9.029
   74   2HA   GLY  14          1HA       GLY  14   5.735  -4.687   8.614
   75    H    ALA  15           H        ALA  15   3.095  -4.281   6.343
   76    HA   ALA  15           HA       ALA  15   3.851  -1.491   6.022
   77   1HB   ALA  15          1HB       ALA  15   3.236  -1.737   3.898
   78   2HB   ALA  15          2HB       ALA  15   1.653  -2.366   4.355
   79   3HB   ALA  15          3HB       ALA  15   3.036  -3.455   4.244
   80    H    THR  16           H        THR  16   2.504   0.233   6.335
   81    HA   THR  16           HA       THR  16   0.286  -0.216   8.164
   82    HB   THR  16           HB       THR  16   1.101   2.497   7.220
   83    HG1  THR  16           HG1      THR  16   2.675   0.680   8.655
   84   1HG2  THR  16          1HG2      THR  16  -0.644   1.554   9.135
   85   2HG2  THR  16          2HG2      THR  16  -0.004   3.195   9.042
   86   3HG2  THR  16          3HG2      THR  16   0.781   1.999  10.074
   87    H    CYS  17           H        CYS  17  -1.810   0.524   7.743
   88    HA   CYS  17           HA       CYS  17  -2.474   0.601   4.916
   89   1HB   CYS  17          2HB       CYS  17  -3.708  -0.934   6.423
   90   2HB   CYS  17          1HB       CYS  17  -4.322   0.461   7.305
   91    H    SER  18           H        SER  18  -3.300   2.285   3.871
   92    HA   SER  18           HA       SER  18  -4.147   4.668   5.318
   93   1HB   SER  18          2HB       SER  18  -2.043   4.677   3.138
   94   2HB   SER  18          1HB       SER  18  -2.735   6.110   3.896
   95    HG   SER  18           HG       SER  18  -1.914   4.669   5.885
   96    H    TRP  19           H        TRP  19  -5.956   3.200   4.441
   97    HA   TRP  19           HA       TRP  19  -6.778   2.681   2.007
   98   1HB   TRP  19          2HB       TRP  19  -8.098   2.762   4.295
   99   2HB   TRP  19          1HB       TRP  19  -8.773   4.230   3.593
  100    HD1  TRP  19           HD1      TRP  19  -8.793   0.447   3.216
  101    HE1  TRP  19           HE1      TRP  19 -10.633  -0.235   1.552
  102    HE3  TRP  19           HE3      TRP  19 -10.107   5.083   1.534
  103    HZ2  TRP  19           HZ2      TRP  19 -12.410   1.030  -0.235
  104    HZ3  TRP  19           HZ3      TRP  19 -11.891   5.266  -0.154
  105    HH2  TRP  19           HH2      TRP  19 -13.018   3.279  -1.020
  106    HA   PRO  20           HA       PRO  20  -7.554   2.464   0.468
  107   1HB   PRO  20          2HB       PRO  20  -7.711   2.671  -2.157
  108   2HB   PRO  20          1HB       PRO  20  -9.021   3.250  -1.126
  109   1HG   PRO  20          2HG       PRO  20  -6.942   4.806  -2.583
  110   2HG   PRO  20          1HG       PRO  20  -8.636   5.217  -2.268
  111   1HD   PRO  20          2HD       PRO  20  -6.372   6.075  -0.796
  112   2HD   PRO  20          1HD       PRO  20  -8.076   6.294  -0.351
  113    H    VAL  21           H        VAL  21  -4.855   3.924   0.807
  114    HA   VAL  21           HA       VAL  21  -3.370   2.129  -1.006
  115    HB   VAL  21           HB       VAL  21  -1.481   3.766  -0.973
  116   1HG1  VAL  21          1HG1      VAL  21  -2.584   3.732  -2.997
  117   2HG1  VAL  21          2HG1      VAL  21  -2.759   5.424  -2.534
  118   3HG1  VAL  21          3HG1      VAL  21  -4.101   4.302  -2.302
  119   1HG2  VAL  21          1HG2      VAL  21  -3.506   5.813  -0.121
  120   2HG2  VAL  21          2HG2      VAL  21  -1.758   5.989  -0.280
  121   3HG2  VAL  21          3HG2      VAL  21  -2.431   5.022   1.032
  122    H    CYS  22           H        CYS  22  -0.920   2.124  -0.179
  123    HA   CYS  22           HA       CYS  22  -1.054   1.465   2.691
  124   1HB   CYS  22          2HB       CYS  22   0.375   0.075   0.430
  125   2HB   CYS  22          1HB       CYS  22   0.745  -0.240   2.120
  126    H    THR  23           H        THR  23   0.790   1.833   3.956
  127    HA   THR  23           HA       THR  23   2.852   3.534   2.732
  128    HB   THR  23           HB       THR  23   2.886   4.750   5.008
  129    HG1  THR  23           HG1      THR  23   0.174   4.384   5.269
  130   1HG2  THR  23          1HG2      THR  23   1.283   5.152   2.642
  131   2HG2  THR  23          2HG2      THR  23   2.119   6.338   3.643
  132   3HG2  THR  23          3HG2      THR  23   0.483   5.827   4.061
  133    H    ARG  24           H        ARG  24   4.888   3.510   3.817
  134    HA   ARG  24           HA       ARG  24   5.286   1.421   5.821
  135   1HB   ARG  24          2HB       ARG  24   5.647   0.512   3.458
  136   2HB   ARG  24          1HB       ARG  24   7.026   1.593   3.359
  137   1HG   ARG  24          2HG       ARG  24   7.724  -0.650   3.937
  138   2HG   ARG  24          1HG       ARG  24   8.054   0.469   5.263
  139   1HD   ARG  24          2HD       ARG  24   6.320  -0.365   6.564
  140   2HD   ARG  24          1HD       ARG  24   5.500  -1.087   5.182
  141    HE   ARG  24           HE       ARG  24   6.677  -2.980   5.554
  142   1HH1  ARG  24          1HH1      ARG  24   8.483  -0.355   7.019
  143   2HH1  ARG  24          2HH1      ARG  24   9.682  -1.396   7.704
  144   1HH2  ARG  24          1HH2      ARG  24   8.235  -4.349   6.462
  145   2HH2  ARG  24          2HH2      ARG  24   9.545  -3.682   7.383
  146    H    ASN  25           H        ASN  25   6.495   2.216   7.398
  147    HA   ASN  25           HA       ASN  25   7.853   3.568   8.616
  148   1HB   ASN  25          2HB       ASN  25   9.502   2.507   6.953
  149   2HB   ASN  25          1HB       ASN  25   9.454   4.049   6.105
  150   1HD2  ASN  25          1HD2      ASN  25  11.010   5.396   6.634
  151   2HD2  ASN  25          2HD2      ASN  25  11.829   5.463   8.152
  152    H    GLY  26           H        GLY  26   5.562   4.763   7.536
  153   1HA   GLY  26          2HA       GLY  26   4.620   6.858   7.496
  154   2HA   GLY  26          1HA       GLY  26   6.201   7.516   7.879
  155    H    LEU  27           H        LEU  27   6.085   5.515   5.095
  156    HA   LEU  27           HA       LEU  27   5.893   7.890   3.357
  157   1HB   LEU  27          2HB       LEU  27   7.815   5.571   3.090
  158   2HB   LEU  27          1HB       LEU  27   7.614   6.847   1.906
  159    HG   LEU  27           HG       LEU  27   8.588   7.265   4.735
  160   1HD1  LEU  27          1HD1      LEU  27  10.416   6.257   3.843
  161   2HD1  LEU  27          2HD1      LEU  27  10.693   7.891   3.240
  162   3HD1  LEU  27          3HD1      LEU  27   9.977   6.672   2.187
  163   1HD2  LEU  27          1HD2      LEU  27   7.441   9.210   3.788
  164   2HD2  LEU  27          2HD2      LEU  27   8.491   9.140   2.373
  165   3HD2  LEU  27          3HD2      LEU  27   9.173   9.500   3.959
  166    HA   PRO  28           HA       PRO  28   2.705   5.457   1.476
  167   1HB   PRO  28          2HB       PRO  28   3.078   7.085  -0.918
  168   2HB   PRO  28          1HB       PRO  28   1.666   6.935   0.126
  169   1HG   PRO  28          2HG       PRO  28   3.216   9.165   0.061
  170   2HG   PRO  28          1HG       PRO  28   2.330   8.641   1.502
  171   1HD   PRO  28          2HD       PRO  28   5.235   8.422   0.878
  172   2HD   PRO  28          1HD       PRO  28   4.427   8.669   2.439
  173    H    VAL  29           H        VAL  29   2.620   3.731   0.202
  174    HA   VAL  29           HA       VAL  29   5.024   3.081  -1.348
  175    HB   VAL  29           HB       VAL  29   2.830   1.187  -0.431
  176   1HG1  VAL  29          1HG1      VAL  29   4.220  -0.568  -1.154
  177   2HG1  VAL  29          2HG1      VAL  29   5.623   0.488  -1.314
  178   3HG1  VAL  29          3HG1      VAL  29   4.289   0.613  -2.461
  179   1HG2  VAL  29          1HG2      VAL  29   3.754   1.666   1.590
  180   2HG2  VAL  29          2HG2      VAL  29   5.292   2.178   0.897
  181   3HG2  VAL  29          3HG2      VAL  29   4.923   0.461   1.047
  Start of MODEL    7
    1    H    ALA   1           H        ALA   1   5.189   2.828  -3.313
    2    HA   ALA   1           HA       ALA   1   2.926   3.495  -4.839
    3   1HB   ALA   1          1HB       ALA   1   5.127   4.195  -5.517
    4   2HB   ALA   1          2HB       ALA   1   4.415   3.202  -6.789
    5   3HB   ALA   1          3HB       ALA   1   5.638   2.519  -5.717
    6    H    GLY   2           H        GLY   2   1.445   2.315  -5.846
    7   1HA   GLY   2          2HA       GLY   2   0.599   0.511  -7.078
    8   2HA   GLY   2          1HA       GLY   2   2.002  -0.437  -6.611
    9    H    GLU   3           H        GLU   3   1.733   0.134  -3.783
   10    HA   GLU   3           HA       GLU   3  -0.042  -1.986  -3.117
   11   1HB   GLU   3          2HB       GLU   3   1.583  -0.067  -1.477
   12   2HB   GLU   3          1HB       GLU   3   0.485  -1.227  -0.740
   13   1HG   GLU   3          2HG       GLU   3   2.577  -2.089  -2.658
   14   2HG   GLU   3          1HG       GLU   3   2.948  -1.845  -0.956
   15    H    THR   4           H        THR   4  -2.121  -1.891  -2.807
   16    HA   THR   4           HA       THR   4  -3.274   0.654  -1.925
   17    HB   THR   4           HB       THR   4  -5.435  -0.186  -2.891
   18    HG1  THR   4           HG1      THR   4  -3.749  -1.922  -4.400
   19   1HG2  THR   4          1HG2      THR   4  -4.721   0.336  -5.289
   20   2HG2  THR   4          2HG2      THR   4  -3.086   0.492  -4.648
   21   3HG2  THR   4          3HG2      THR   4  -4.366   1.556  -4.067
   22    H    CYS   5           H        CYS   5  -4.870   0.568  -0.358
   23    HA   CYS   5           HA       CYS   5  -4.969  -1.987   1.104
   24   1HB   CYS   5          2HB       CYS   5  -3.682  -0.094   2.220
   25   2HB   CYS   5          1HB       CYS   5  -5.224   0.742   2.379
   26    H    VAL   6           H        VAL   6  -6.745  -1.375  -0.924
   27    HA   VAL   6           HA       VAL   6  -9.148  -0.190  -0.030
   28    HB   VAL   6           HB       VAL   6  -8.886  -2.341  -2.136
   29   1HG1  VAL   6          1HG1      VAL   6 -11.184  -1.695  -1.261
   30   2HG1  VAL   6          2HG1      VAL   6 -10.936  -1.589  -3.004
   31   3HG1  VAL   6          3HG1      VAL   6 -10.911  -0.126  -2.020
   32   1HG2  VAL   6          1HG2      VAL   6  -7.330  -0.446  -2.513
   33   2HG2  VAL   6          2HG2      VAL   6  -8.715   0.645  -2.518
   34   3HG2  VAL   6          3HG2      VAL   6  -8.566  -0.596  -3.763
   35    H    GLY   7           H        GLY   7  -7.939  -3.495   0.010
   36   1HA   GLY   7          2HA       GLY   7 -10.352  -4.474   1.326
   37   2HA   GLY   7          1HA       GLY   7  -8.989  -5.432   0.783
   38    H    GLY   8           H        GLY   8  -8.045  -2.712   2.453
   39   1HA   GLY   8          2HA       GLY   8  -7.182  -2.329   4.553
   40   2HA   GLY   8          1HA       GLY   8  -8.282  -3.563   5.132
   41    H    THR   9           H        THR   9  -5.908  -4.164   2.700
   42    HA   THR   9           HA       THR   9  -4.042  -5.376   4.558
   43    HB   THR   9           HB       THR   9  -4.164  -7.440   2.830
   44    HG1  THR   9           HG1      THR   9  -6.873  -6.595   3.157
   45   1HG2  THR   9          1HG2      THR   9  -4.167  -7.759   5.200
   46   2HG2  THR   9          2HG2      THR   9  -5.568  -8.610   4.550
   47   3HG2  THR   9          3HG2      THR   9  -5.776  -7.052   5.350
   48    H    CYS  10           H        CYS  10  -1.987  -5.732   3.670
   49    HA   CYS  10           HA       CYS  10  -1.569  -4.716   0.936
   50   1HB   CYS  10          2HB       CYS  10   0.381  -4.320   3.199
   51   2HB   CYS  10          1HB       CYS  10   0.438  -3.608   1.600
   52    H    ASN  11           H        ASN  11   0.596  -5.361   0.100
   53    HA   ASN  11           HA       ASN  11   0.973  -8.221   0.551
   54   1HB   ASN  11          2HB       ASN  11   2.121  -6.342  -1.534
   55   2HB   ASN  11          1HB       ASN  11   2.416  -8.077  -1.477
   56   1HD2  ASN  11          1HD2      ASN  11   0.400  -5.608  -2.586
   57   2HD2  ASN  11          2HD2      ASN  11  -0.870  -6.609  -3.216
   58    H    THR  12           H        THR  12   2.548  -5.149   0.877
   59    HA   THR  12           HA       THR  12   5.168  -6.081   1.457
   60    HB   THR  12           HB       THR  12   3.918  -3.484   2.376
   61    HG1  THR  12           HG1      THR  12   3.630  -3.773   0.106
   62   1HG2  THR  12          1HG2      THR  12   5.981  -2.836   2.962
   63   2HG2  THR  12          2HG2      THR  12   6.686  -3.464   1.474
   64   3HG2  THR  12          3HG2      THR  12   6.431  -4.538   2.850
   65    HA   PRO  13           HA       PRO  13   4.338  -7.658   5.546
   66   1HB   PRO  13          2HB       PRO  13   7.257  -7.656   5.845
   67   2HB   PRO  13          1HB       PRO  13   6.128  -9.011   5.892
   68   1HG   PRO  13          2HG       PRO  13   7.826  -8.608   3.842
   69   2HG   PRO  13          1HG       PRO  13   6.233  -9.348   3.624
   70   1HD   PRO  13          2HD       PRO  13   7.139  -6.568   3.011
   71   2HD   PRO  13          1HD       PRO  13   6.002  -7.607   2.128
   72    H    GLY  14           H        GLY  14   3.918  -6.558   7.301
   73   1HA   GLY  14          2HA       GLY  14   4.042  -5.028   9.011
   74   2HA   GLY  14          1HA       GLY  14   5.732  -4.798   8.590
   75    H    ALA  15           H        ALA  15   2.960  -4.268   6.474
   76    HA   ALA  15           HA       ALA  15   3.819  -1.492   6.161
   77   1HB   ALA  15          1HB       ALA  15   3.589  -2.793   4.116
   78   2HB   ALA  15          2HB       ALA  15   2.411  -1.480   4.155
   79   3HB   ALA  15          3HB       ALA  15   1.904  -3.133   4.506
   80    H    THR  16           H        THR  16   2.464   0.232   6.459
   81    HA   THR  16           HA       THR  16   0.223  -0.213   8.259
   82    HB   THR  16           HB       THR  16   1.095   2.496   7.329
   83    HG1  THR  16           HG1      THR  16   2.631   0.646   8.698
   84   1HG2  THR  16          1HG2      THR  16   0.044   3.244   9.186
   85   2HG2  THR  16          2HG2      THR  16   0.613   1.898  10.173
   86   3HG2  THR  16          3HG2      THR  16  -0.781   1.687   9.110
   87    H    CYS  17           H        CYS  17  -1.862   0.634   7.827
   88    HA   CYS  17           HA       CYS  17  -2.488   0.684   4.985
   89   1HB   CYS  17          2HB       CYS  17  -3.762  -0.832   6.465
   90   2HB   CYS  17          1HB       CYS  17  -4.360   0.563   7.355
   91    H    SER  18           H        SER  18  -3.257   2.373   3.920
   92    HA   SER  18           HA       SER  18  -4.124   4.770   5.333
   93   1HB   SER  18          2HB       SER  18  -1.960   4.720   3.214
   94   2HB   SER  18          1HB       SER  18  -2.695   6.184   3.867
   95    HG   SER  18           HG       SER  18  -1.939   4.835   5.955
   96    H    TRP  19           H        TRP  19  -5.952   3.361   4.467
   97    HA   TRP  19           HA       TRP  19  -6.756   2.782   2.041
   98   1HB   TRP  19          2HB       TRP  19  -8.104   2.963   4.292
   99   2HB   TRP  19          1HB       TRP  19  -8.699   4.458   3.573
  100    HD1  TRP  19           HD1      TRP  19  -8.924   0.679   3.242
  101    HE1  TRP  19           HE1      TRP  19 -10.792   0.079   1.577
  102    HE3  TRP  19           HE3      TRP  19  -9.960   5.358   1.479
  103    HZ2  TRP  19           HZ2      TRP  19 -12.481   1.415  -0.243
  104    HZ3  TRP  19           HZ3      TRP  19 -11.721   5.615  -0.223
  105    HH2  TRP  19           HH2      TRP  19 -12.953   3.683  -1.066
  106    HA   PRO  20           HA       PRO  20  -7.438   2.533   0.479
  107   1HB   PRO  20          2HB       PRO  20  -7.622   2.690  -2.142
  108   2HB   PRO  20          1HB       PRO  20  -8.915   3.303  -1.112
  109   1HG   PRO  20          2HG       PRO  20  -6.860   4.803  -2.650
  110   2HG   PRO  20          1HG       PRO  20  -8.531   5.253  -2.275
  111   1HD   PRO  20          2HD       PRO  20  -6.170   6.050  -0.889
  112   2HD   PRO  20          1HD       PRO  20  -7.851   6.387  -0.434
  113    H    VAL  21           H        VAL  21  -4.737   3.864   0.855
  114    HA   VAL  21           HA       VAL  21  -3.261   2.078  -0.975
  115    HB   VAL  21           HB       VAL  21  -1.371   3.745  -0.945
  116   1HG1  VAL  21          1HG1      VAL  21  -3.872   3.855  -2.459
  117   2HG1  VAL  21          2HG1      VAL  21  -2.203   3.826  -3.026
  118   3HG1  VAL  21          3HG1      VAL  21  -2.934   5.348  -2.513
  119   1HG2  VAL  21          1HG2      VAL  21  -2.924   6.100  -0.687
  120   2HG2  VAL  21          2HG2      VAL  21  -1.529   5.592   0.265
  121   3HG2  VAL  21          3HG2      VAL  21  -3.157   5.133   0.770
  122    H    CYS  22           H        CYS  22  -0.921   1.737  -0.226
  123    HA   CYS  22           HA       CYS  22  -1.022   1.278   2.684
  124   1HB   CYS  22          2HB       CYS  22   0.556  -0.060   0.504
  125   2HB   CYS  22          1HB       CYS  22   0.757  -0.418   2.209
  126    H    THR  23           H        THR  23   0.761   1.770   3.987
  127    HA   THR  23           HA       THR  23   2.864   3.407   2.752
  128    HB   THR  23           HB       THR  23   2.798   4.832   4.877
  129    HG1  THR  23           HG1      THR  23   0.120   4.519   5.218
  130   1HG2  THR  23          1HG2      THR  23   0.709   6.118   4.000
  131   2HG2  THR  23          2HG2      THR  23   0.737   4.925   2.701
  132   3HG2  THR  23          3HG2      THR  23   2.131   5.972   2.967
  133    H    ARG  24           H        ARG  24   4.815   3.538   4.046
  134    HA   ARG  24           HA       ARG  24   5.046   1.714   6.283
  135   1HB   ARG  24          2HB       ARG  24   5.478   0.520   3.964
  136   2HB   ARG  24          1HB       ARG  24   7.035   1.329   4.082
  137   1HG   ARG  24          2HG       ARG  24   7.436   0.255   6.235
  138   2HG   ARG  24          1HG       ARG  24   5.872  -0.553   6.123
  139   1HD   ARG  24          2HD       ARG  24   6.698  -1.540   3.942
  140   2HD   ARG  24          1HD       ARG  24   8.295  -0.944   4.388
  141    HE   ARG  24           HE       ARG  24   7.028  -3.280   5.356
  142   1HH1  ARG  24          1HH1      ARG  24   9.076  -0.646   6.463
  143   2HH1  ARG  24          2HH1      ARG  24   9.788  -1.579   7.734
  144   1HH2  ARG  24          1HH2      ARG  24   7.956  -4.493   7.023
  145   2HH2  ARG  24          2HH2      ARG  24   9.153  -3.778   8.057
  146    H    ASN  25           H        ASN  25   6.415   2.526   7.728
  147    HA   ASN  25           HA       ASN  25   7.850   3.944   8.758
  148   1HB   ASN  25          2HB       ASN  25   9.211   3.815   6.062
  149   2HB   ASN  25          1HB       ASN  25   9.902   4.641   7.452
  150   1HD2  ASN  25          1HD2      ASN  25  11.324   3.505   8.521
  151   2HD2  ASN  25          2HD2      ASN  25  11.370   1.785   8.662
  152    H    GLY  26           H        GLY  26   5.497   5.003   7.470
  153   1HA   GLY  26          2HA       GLY  26   4.538   7.095   7.346
  154   2HA   GLY  26          1HA       GLY  26   6.109   7.790   7.710
  155    H    LEU  27           H        LEU  27   5.987   5.605   5.067
  156    HA   LEU  27           HA       LEU  27   5.814   7.838   3.156
  157   1HB   LEU  27          2HB       LEU  27   7.808   5.565   3.130
  158   2HB   LEU  27          1HB       LEU  27   7.582   6.702   1.817
  159    HG   LEU  27           HG       LEU  27   8.501   7.447   4.596
  160   1HD1  LEU  27          1HD1      LEU  27   9.992   6.892   2.052
  161   2HD1  LEU  27          2HD1      LEU  27  10.272   6.233   3.664
  162   3HD1  LEU  27          3HD1      LEU  27  10.660   7.919   3.321
  163   1HD2  LEU  27          1HD2      LEU  27   9.029   9.607   3.580
  164   2HD2  LEU  27          2HD2      LEU  27   7.308   9.245   3.453
  165   3HD2  LEU  27          3HD2      LEU  27   8.354   9.055   2.047
  166    HA   PRO  28           HA       PRO  28   2.746   5.184   1.390
  167   1HB   PRO  28          2HB       PRO  28   3.101   6.647  -1.103
  168   2HB   PRO  28          1HB       PRO  28   1.689   6.552  -0.053
  169   1HG   PRO  28          2HG       PRO  28   3.214   8.794  -0.290
  170   2HG   PRO  28          1HG       PRO  28   2.314   8.378   1.178
  171   1HD   PRO  28          2HD       PRO  28   5.230   8.145   0.611
  172   2HD   PRO  28          1HD       PRO  28   4.397   8.509   2.135
  173    H    VAL  29           H        VAL  29   2.729   3.380   0.233
  174    HA   VAL  29           HA       VAL  29   5.183   2.671  -1.193
  175    HB   VAL  29           HB       VAL  29   2.928   0.823  -0.346
  176   1HG1  VAL  29          1HG1      VAL  29   4.743  -0.901  -0.628
  177   2HG1  VAL  29          2HG1      VAL  29   5.720   0.353  -1.391
  178   3HG1  VAL  29          3HG1      VAL  29   4.195  -0.142  -2.123
  179   1HG2  VAL  29          1HG2      VAL  29   4.272   2.075   1.491
  180   2HG2  VAL  29          2HG2      VAL  29   5.580   0.983   1.036
  181   3HG2  VAL  29          3HG2      VAL  29   4.049   0.330   1.619
  Start of MODEL    8
    1    H    ALA   1           H        ALA   1   5.381   2.480  -3.156
    2    HA   ALA   1           HA       ALA   1   3.218   3.295  -4.739
    3   1HB   ALA   1          1HB       ALA   1   5.996   2.890  -5.077
    4   2HB   ALA   1          2HB       ALA   1   4.878   3.755  -6.130
    5   3HB   ALA   1          3HB       ALA   1   5.170   2.033  -6.377
    6    H    GLY   2           H        GLY   2   1.613   2.225  -5.652
    7   1HA   GLY   2          2HA       GLY   2   0.540   0.510  -6.802
    8   2HA   GLY   2          1HA       GLY   2   1.933  -0.519  -6.520
    9    H    GLU   3           H        GLU   3   1.882   0.047  -3.610
   10    HA   GLU   3           HA       GLU   3   0.142  -2.094  -2.891
   11   1HB   GLU   3          2HB       GLU   3   2.367  -1.493  -1.803
   12   2HB   GLU   3          1HB       GLU   3   1.501  -0.207  -0.979
   13   1HG   GLU   3          2HG       GLU   3   1.668  -2.091   0.475
   14   2HG   GLU   3          1HG       GLU   3  -0.013  -1.893  -0.016
   15    H    THR   4           H        THR   4  -1.955  -1.884  -2.718
   16    HA   THR   4           HA       THR   4  -3.025   0.625  -1.656
   17    HB   THR   4           HB       THR   4  -5.200  -0.115  -2.721
   18    HG1  THR   4           HG1      THR   4  -3.497  -1.776  -4.290
   19   1HG2  THR   4          1HG2      THR   4  -2.774   0.660  -4.317
   20   2HG2  THR   4          2HG2      THR   4  -4.111   1.673  -3.773
   21   3HG2  THR   4          3HG2      THR   4  -4.360   0.508  -5.073
   22    H    CYS   5           H        CYS   5  -4.807   0.505  -0.210
   23    HA   CYS   5           HA       CYS   5  -4.915  -2.065   1.225
   24   1HB   CYS   5          2HB       CYS   5  -3.804  -0.183   2.470
   25   2HB   CYS   5          1HB       CYS   5  -5.339   0.678   2.430
   26    H    VAL   6           H        VAL   6  -6.557  -1.464  -0.950
   27    HA   VAL   6           HA       VAL   6  -9.084  -0.451  -0.179
   28    HB   VAL   6           HB       VAL   6  -8.568  -2.459  -2.375
   29   1HG1  VAL   6          1HG1      VAL   6 -10.663  -0.328  -2.403
   30   2HG1  VAL   6          2HG1      VAL   6 -10.951  -1.854  -1.567
   31   3HG1  VAL   6          3HG1      VAL   6 -10.601  -1.848  -3.296
   32   1HG2  VAL   6          1HG2      VAL   6  -7.933  -0.781  -3.824
   33   2HG2  VAL   6          2HG2      VAL   6  -7.168  -0.258  -2.323
   34   3HG2  VAL   6          3HG2      VAL   6  -8.679   0.486  -2.849
   35    H    GLY   7           H        GLY   7  -7.655  -3.660  -0.160
   36   1HA   GLY   7          2HA       GLY   7 -10.090  -4.927   0.755
   37   2HA   GLY   7          1HA       GLY   7  -8.537  -5.701   0.510
   38    H    GLY   8           H        GLY   8  -8.000  -3.007   2.252
   39   1HA   GLY   8          2HA       GLY   8  -7.884  -2.503   4.522
   40   2HA   GLY   8          1HA       GLY   8  -8.726  -4.004   4.865
   41    H    THR   9           H        THR   9  -6.224  -4.730   2.834
   42    HA   THR   9           HA       THR   9  -4.187  -4.947   4.908
   43    HB   THR   9           HB       THR   9  -3.802  -7.375   4.201
   44    HG1  THR   9           HG1      THR   9  -5.401  -7.144   2.422
   45   1HG2  THR   9          1HG2      THR   9  -5.623  -8.227   5.741
   46   2HG2  THR   9          2HG2      THR   9  -6.191  -6.561   5.845
   47   3HG2  THR   9          3HG2      THR   9  -4.574  -6.977   6.409
   48    H    CYS  10           H        CYS  10  -2.111  -5.005   4.111
   49    HA   CYS  10           HA       CYS  10  -1.845  -4.563   1.222
   50   1HB   CYS  10          2HB       CYS  10   0.387  -4.144   3.168
   51   2HB   CYS  10          1HB       CYS  10   0.108  -3.369   1.621
   52    H    ASN  11           H        ASN  11   0.013  -5.431   0.159
   53    HA   ASN  11           HA       ASN  11   0.434  -8.228   0.827
   54   1HB   ASN  11          2HB       ASN  11   1.443  -6.557  -1.494
   55   2HB   ASN  11          1HB       ASN  11   1.611  -8.304  -1.348
   56   1HD2  ASN  11          1HD2      ASN  11  -0.427  -5.697  -2.199
   57   2HD2  ASN  11          2HD2      ASN  11  -1.788  -6.640  -2.710
   58    H    THR  12           H        THR  12   2.192  -5.213   0.630
   59    HA   THR  12           HA       THR  12   4.795  -6.220   1.050
   60    HB   THR  12           HB       THR  12   3.644  -3.483   1.637
   61    HG1  THR  12           HG1      THR  12   3.580  -4.064  -0.580
   62   1HG2  THR  12          1HG2      THR  12   5.758  -2.655   2.020
   63   2HG2  THR  12          2HG2      THR  12   6.548  -3.967   1.145
   64   3HG2  THR  12          3HG2      THR  12   5.895  -4.250   2.759
   65    HA   PRO  13           HA       PRO  13   4.439  -7.421   5.319
   66   1HB   PRO  13          2HB       PRO  13   7.386  -7.344   5.253
   67   2HB   PRO  13          1HB       PRO  13   6.304  -8.690   5.618
   68   1HG   PRO  13          2HG       PRO  13   7.680  -8.567   3.324
   69   2HG   PRO  13          1HG       PRO  13   6.055  -9.265   3.401
   70   1HD   PRO  13          2HD       PRO  13   6.926  -6.587   2.394
   71   2HD   PRO  13          1HD       PRO  13   5.679  -7.681   1.762
   72    H    GLY  14           H        GLY  14   4.260  -6.262   7.084
   73   1HA   GLY  14          2HA       GLY  14   4.566  -4.644   8.683
   74   2HA   GLY  14          1HA       GLY  14   6.151  -4.348   7.987
   75    H    ALA  15           H        ALA  15   3.201  -4.077   6.120
   76    HA   ALA  15           HA       ALA  15   3.754  -1.219   5.813
   77   1HB   ALA  15          1HB       ALA  15   3.018  -3.233   3.988
   78   2HB   ALA  15          2HB       ALA  15   3.247  -1.512   3.673
   79   3HB   ALA  15          3HB       ALA  15   1.649  -2.127   4.101
   80    H    THR  16           H        THR  16   2.366   0.321   6.442
   81    HA   THR  16           HA       THR  16   0.119  -0.480   8.103
   82    HB   THR  16           HB       THR  16   0.888   2.369   7.597
   83    HG1  THR  16           HG1      THR  16   2.487   0.412   8.675
   84   1HG2  THR  16          1HG2      THR  16  -0.509   0.803   9.690
   85   2HG2  THR  16          2HG2      THR  16  -0.851   2.417   9.067
   86   3HG2  THR  16          3HG2      THR  16   0.452   2.179  10.230
   87    H    CYS  17           H        CYS  17  -1.985   0.301   7.760
   88    HA   CYS  17           HA       CYS  17  -2.681   0.553   4.980
   89   1HB   CYS  17          2HB       CYS  17  -3.988  -0.872   6.528
   90   2HB   CYS  17          1HB       CYS  17  -4.480   0.571   7.407
   91    H    SER  18           H        SER  18  -3.385   2.284   3.931
   92    HA   SER  18           HA       SER  18  -4.083   4.732   5.343
   93   1HB   SER  18          2HB       SER  18  -1.961   4.595   3.185
   94   2HB   SER  18          1HB       SER  18  -2.579   6.075   3.919
   95    HG   SER  18           HG       SER  18  -1.839   4.553   5.912
   96    H    TRP  19           H        TRP  19  -5.951   3.331   4.449
   97    HA   TRP  19           HA       TRP  19  -6.748   2.841   2.001
   98   1HB   TRP  19          2HB       TRP  19  -8.106   3.019   4.284
   99   2HB   TRP  19          1HB       TRP  19  -8.744   4.460   3.494
  100    HD1  TRP  19           HD1      TRP  19  -8.742   0.659   3.246
  101    HE1  TRP  19           HE1      TRP  19 -10.538  -0.083   1.561
  102    HE3  TRP  19           HE3      TRP  19 -10.059   5.239   1.399
  103    HZ2  TRP  19           HZ2      TRP  19 -12.282   1.111  -0.301
  104    HZ3  TRP  19           HZ3      TRP  19 -11.804   5.353  -0.334
  105    HH2  TRP  19           HH2      TRP  19 -12.893   3.331  -1.166
  106    HA   PRO  20           HA       PRO  20  -7.561   2.645   0.469
  107   1HB   PRO  20          2HB       PRO  20  -7.635   2.822  -2.160
  108   2HB   PRO  20          1HB       PRO  20  -8.937   3.496  -1.178
  109   1HG   PRO  20          2HG       PRO  20  -6.701   4.901  -2.565
  110   2HG   PRO  20          1HG       PRO  20  -8.388   5.404  -2.365
  111   1HD   PRO  20          2HD       PRO  20  -6.204   6.219  -0.783
  112   2HD   PRO  20          1HD       PRO  20  -7.922   6.456  -0.408
  113    H    VAL  21           H        VAL  21  -4.782   4.012   0.818
  114    HA   VAL  21           HA       VAL  21  -3.367   2.071  -0.897
  115    HB   VAL  21           HB       VAL  21  -1.405   3.625  -0.908
  116   1HG1  VAL  21          1HG1      VAL  21  -2.233   3.792  -2.978
  117   2HG1  VAL  21          2HG1      VAL  21  -2.917   5.328  -2.444
  118   3HG1  VAL  21          3HG1      VAL  21  -3.898   3.862  -2.400
  119   1HG2  VAL  21          1HG2      VAL  21  -3.288   5.860  -0.302
  120   2HG2  VAL  21          2HG2      VAL  21  -1.526   5.818  -0.219
  121   3HG2  VAL  21          3HG2      VAL  21  -2.486   5.010   1.019
  122    H    CYS  22           H        CYS  22  -0.865   2.156  -0.023
  123    HA   CYS  22           HA       CYS  22  -1.050   1.611   2.870
  124   1HB   CYS  22          2HB       CYS  22   0.300  -0.008   0.713
  125   2HB   CYS  22          1HB       CYS  22   0.632  -0.234   2.428
  126    H    THR  23           H        THR  23   0.719   2.119   4.135
  127    HA   THR  23           HA       THR  23   2.986   3.443   2.809
  128    HB   THR  23           HB       THR  23   3.006   5.145   4.656
  129    HG1  THR  23           HG1      THR  23   0.299   4.742   5.172
  130   1HG2  THR  23          1HG2      THR  23   0.749   6.264   3.776
  131   2HG2  THR  23          2HG2      THR  23   0.898   4.990   2.564
  132   3HG2  THR  23          3HG2      THR  23   2.200   6.161   2.776
  133    H    ARG  24           H        ARG  24   4.936   3.443   4.056
  134    HA   ARG  24           HA       ARG  24   4.915   1.830   6.489
  135   1HB   ARG  24          2HB       ARG  24   5.370   0.273   4.598
  136   2HB   ARG  24          1HB       ARG  24   6.771   1.246   4.170
  137   1HG   ARG  24          2HG       ARG  24   7.892   0.677   6.179
  138   2HG   ARG  24          1HG       ARG  24   6.438  -0.054   6.859
  139   1HD   ARG  24          2HD       ARG  24   7.927  -1.794   6.122
  140   2HD   ARG  24          1HD       ARG  24   6.508  -1.764   5.079
  141    HE   ARG  24           HE       ARG  24   8.503  -0.182   3.913
  142   1HH1  ARG  24          1HH1      ARG  24   7.827  -3.540   4.639
  143   2HH1  ARG  24          2HH1      ARG  24   8.799  -4.150   3.341
  144   1HH2  ARG  24          1HH2      ARG  24   9.788  -0.984   2.187
  145   2HH2  ARG  24          2HH2      ARG  24   9.915  -2.693   1.941
  146    H    ASN  25           H        ASN  25   6.096   2.765   7.989
  147    HA   ASN  25           HA       ASN  25   7.490   4.191   9.066
  148   1HB   ASN  25          2HB       ASN  25   9.170   2.756   7.779
  149   2HB   ASN  25          1HB       ASN  25   9.279   4.089   6.634
  150   1HD2  ASN  25          1HD2      ASN  25  10.917   5.396   6.985
  151   2HD2  ASN  25          2HD2      ASN  25  11.637   5.744   8.514
  152    H    GLY  26           H        GLY  26   5.377   5.300   7.537
  153   1HA   GLY  26          2HA       GLY  26   4.608   7.426   7.098
  154   2HA   GLY  26          1HA       GLY  26   6.206   8.036   7.497
  155    H    LEU  27           H        LEU  27   6.227   5.593   5.130
  156    HA   LEU  27           HA       LEU  27   6.337   7.615   2.991
  157   1HB   LEU  27          2HB       LEU  27   8.582   6.754   3.595
  158   2HB   LEU  27          1HB       LEU  27   8.032   5.126   3.254
  159    HG   LEU  27           HG       LEU  27   7.633   5.832   0.881
  160   1HD1  LEU  27          1HD1      LEU  27   8.431   7.873   0.052
  161   2HD1  LEU  27          2HD1      LEU  27   9.304   8.237   1.542
  162   3HD1  LEU  27          3HD1      LEU  27   7.542   8.297   1.514
  163   1HD2  LEU  27          1HD2      LEU  27  10.486   6.274   1.711
  164   2HD2  LEU  27          2HD2      LEU  27   9.874   5.526   0.237
  165   3HD2  LEU  27          3HD2      LEU  27   9.717   4.688   1.781
  166    HA   PRO  28           HA       PRO  28   3.034   5.075   1.432
  167   1HB   PRO  28          2HB       PRO  28   3.452   6.451  -1.110
  168   2HB   PRO  28          1HB       PRO  28   2.030   6.427  -0.069
  169   1HG   PRO  28          2HG       PRO  28   3.604   8.617  -0.333
  170   2HG   PRO  28          1HG       PRO  28   2.722   8.239   1.156
  171   1HD   PRO  28          2HD       PRO  28   5.618   7.904   0.528
  172   2HD   PRO  28          1HD       PRO  28   4.837   8.337   2.062
  173    H    VAL  29           H        VAL  29   2.914   3.239   0.348
  174    HA   VAL  29           HA       VAL  29   5.319   2.324  -1.034
  175    HB   VAL  29           HB       VAL  29   2.901   0.693  -0.181
  176   1HG1  VAL  29          1HG1      VAL  29   5.598  -0.484  -0.617
  177   2HG1  VAL  29          2HG1      VAL  29   4.675  -0.017  -2.046
  178   3HG1  VAL  29          3HG1      VAL  29   4.000  -1.175  -0.900
  179   1HG2  VAL  29          1HG2      VAL  29   5.557   0.653   1.205
  180   2HG2  VAL  29          2HG2      VAL  29   3.979   0.132   1.794
  181   3HG2  VAL  29          3HG2      VAL  29   4.339   1.851   1.638
  Start of MODEL    9
    1    H    ALA   1           H        ALA   1   5.757   2.365  -2.968
    2    HA   ALA   1           HA       ALA   1   3.813   3.220  -4.847
    3   1HB   ALA   1          1HB       ALA   1   6.167   1.817  -5.904
    4   2HB   ALA   1          2HB       ALA   1   6.521   3.164  -4.824
    5   3HB   ALA   1          3HB       ALA   1   5.543   3.425  -6.267
    6    H    GLY   2           H        GLY   2   2.290   2.082  -5.801
    7   1HA   GLY   2          2HA       GLY   2   1.194   0.340  -6.828
    8   2HA   GLY   2          1HA       GLY   2   2.705  -0.554  -6.802
    9    H    GLU   3           H        GLU   3   1.014   0.750  -3.992
   10    HA   GLU   3           HA       GLU   3   0.189  -1.956  -3.236
   11   1HB   GLU   3          2HB       GLU   3   2.400  -1.433  -2.180
   12   2HB   GLU   3          1HB       GLU   3   1.644  -0.078  -1.370
   13   1HG   GLU   3          2HG       GLU   3   1.822  -1.913   0.144
   14   2HG   GLU   3          1HG       GLU   3   0.127  -1.631  -0.234
   15    H    THR   4           H        THR   4  -1.914  -1.836  -2.941
   16    HA   THR   4           HA       THR   4  -3.045   0.630  -1.818
   17    HB   THR   4           HB       THR   4  -5.207  -0.105  -2.794
   18    HG1  THR   4           HG1      THR   4  -3.912  -2.370  -3.171
   19   1HG2  THR   4          1HG2      THR   4  -2.826   0.718  -4.315
   20   2HG2  THR   4          2HG2      THR   4  -4.425   1.456  -4.225
   21   3HG2  THR   4          3HG2      THR   4  -4.146   0.080  -5.293
   22    H    CYS   5           H        CYS   5  -4.701   0.489  -0.288
   23    HA   CYS   5           HA       CYS   5  -4.789  -2.086   1.144
   24   1HB   CYS   5          2HB       CYS   5  -3.567  -0.161   2.302
   25   2HB   CYS   5          1HB       CYS   5  -5.138   0.626   2.435
   26    H    VAL   6           H        VAL   6  -6.526  -1.443  -0.933
   27    HA   VAL   6           HA       VAL   6  -8.952  -0.278  -0.109
   28    HB   VAL   6           HB       VAL   6  -8.644  -2.447  -2.188
   29   1HG1  VAL   6          1HG1      VAL   6 -10.956  -1.622  -1.294
   30   2HG1  VAL   6          2HG1      VAL   6 -10.697  -1.840  -3.025
   31   3HG1  VAL   6          3HG1      VAL   6 -10.627  -0.225  -2.320
   32   1HG2  VAL   6          1HG2      VAL   6  -7.611  -1.027  -3.557
   33   2HG2  VAL   6          2HG2      VAL   6  -7.385   0.034  -2.165
   34   3HG2  VAL   6          3HG2      VAL   6  -8.783   0.247  -3.219
   35    H    GLY   7           H        GLY   7  -7.772  -3.596  -0.001
   36   1HA   GLY   7          2HA       GLY   7 -10.238  -4.566   1.203
   37   2HA   GLY   7          1HA       GLY   7  -8.821  -5.514   0.797
   38    H    GLY   8           H        GLY   8  -8.083  -2.708   2.442
   39   1HA   GLY   8          2HA       GLY   8  -7.440  -2.223   4.600
   40   2HA   GLY   8          1HA       GLY   8  -8.468  -3.544   5.124
   41    H    THR   9           H        THR   9  -6.077  -4.244   2.804
   42    HA   THR   9           HA       THR   9  -4.082  -5.057   4.740
   43    HB   THR   9           HB       THR   9  -4.093  -7.367   3.413
   44    HG1  THR   9           HG1      THR   9  -6.839  -6.580   3.463
   45   1HG2  THR   9          1HG2      THR   9  -5.631  -8.256   5.266
   46   2HG2  THR   9          2HG2      THR   9  -5.710  -6.585   5.824
   47   3HG2  THR   9          3HG2      THR   9  -4.158  -7.421   5.759
   48    H    CYS  10           H        CYS  10  -2.049  -5.360   3.854
   49    HA   CYS  10           HA       CYS  10  -1.764  -4.654   1.005
   50   1HB   CYS  10          2HB       CYS  10   0.392  -4.253   3.060
   51   2HB   CYS  10          1HB       CYS  10   0.243  -3.514   1.478
   52    H    ASN  11           H        ASN  11   0.267  -5.506   0.040
   53    HA   ASN  11           HA       ASN  11   0.548  -8.328   0.712
   54   1HB   ASN  11          2HB       ASN  11   0.284  -7.575  -1.663
   55   2HB   ASN  11          1HB       ASN  11   1.823  -6.735  -1.534
   56   1HD2  ASN  11          1HD2      ASN  11   0.336  -9.533  -2.474
   57   2HD2  ASN  11          2HD2      ASN  11   1.714 -10.571  -2.542
   58    H    THR  12           H        THR  12   2.315  -5.337   0.663
   59    HA   THR  12           HA       THR  12   4.899  -6.273   1.251
   60    HB   THR  12           HB       THR  12   3.672  -3.640   2.100
   61    HG1  THR  12           HG1      THR  12   3.423  -4.041  -0.171
   62   1HG2  THR  12          1HG2      THR  12   6.346  -3.333   1.304
   63   2HG2  THR  12          2HG2      THR  12   6.315  -4.757   2.343
   64   3HG2  THR  12          3HG2      THR  12   5.696  -3.217   2.940
   65    HA   PRO  13           HA       PRO  13   4.252  -7.792   5.386
   66   1HB   PRO  13          2HB       PRO  13   7.183  -7.648   5.587
   67   2HB   PRO  13          1HB       PRO  13   6.113  -9.045   5.731
   68   1HG   PRO  13          2HG       PRO  13   7.698  -8.669   3.597
   69   2HG   PRO  13          1HG       PRO  13   6.113  -9.447   3.468
   70   1HD   PRO  13          2HD       PRO  13   6.932  -6.668   2.738
   71   2HD   PRO  13          1HD       PRO  13   5.783  -7.757   1.933
   72    H    GLY  14           H        GLY  14   3.851  -6.741   7.167
   73   1HA   GLY  14          2HA       GLY  14   3.882  -5.185   8.849
   74   2HA   GLY  14          1HA       GLY  14   5.585  -4.966   8.484
   75    H    ALA  15           H        ALA  15   2.986  -4.375   6.195
   76    HA   ALA  15           HA       ALA  15   3.880  -1.619   5.943
   77   1HB   ALA  15          1HB       ALA  15   2.354  -3.511   4.271
   78   2HB   ALA  15          2HB       ALA  15   3.550  -2.298   3.815
   79   3HB   ALA  15          3HB       ALA  15   1.887  -1.815   4.143
   80    H    THR  16           H        THR  16   2.568   0.168   6.246
   81    HA   THR  16           HA       THR  16   0.398  -0.217   8.144
   82    HB   THR  16           HB       THR  16   1.230   2.472   7.150
   83    HG1  THR  16           HG1      THR  16   2.802   0.651   8.604
   84   1HG2  THR  16          1HG2      THR  16   0.949   1.893  10.021
   85   2HG2  THR  16          2HG2      THR  16  -0.513   1.657   9.063
   86   3HG2  THR  16          3HG2      THR  16   0.297   3.224   9.066
   87    H    CYS  17           H        CYS  17  -1.697   0.547   7.780
   88    HA   CYS  17           HA       CYS  17  -2.434   0.624   4.969
   89   1HB   CYS  17          2HB       CYS  17  -3.632  -0.902   6.528
   90   2HB   CYS  17          1HB       CYS  17  -4.239   0.508   7.391
   91    H    SER  18           H        SER  18  -3.274   2.300   3.943
   92    HA   SER  18           HA       SER  18  -4.098   4.692   5.384
   93   1HB   SER  18          2HB       SER  18  -2.029   4.714   3.171
   94   2HB   SER  18          1HB       SER  18  -2.695   6.135   3.975
   95    HG   SER  18           HG       SER  18  -1.831   4.653   5.913
   96    H    TRP  19           H        TRP  19  -5.908   3.210   4.525
   97    HA   TRP  19           HA       TRP  19  -6.743   2.667   2.105
   98   1HB   TRP  19          2HB       TRP  19  -8.055   2.761   4.390
   99   2HB   TRP  19          1HB       TRP  19  -8.725   4.235   3.695
  100    HD1  TRP  19           HD1      TRP  19  -8.785   0.453   3.322
  101    HE1  TRP  19           HE1      TRP  19 -10.637  -0.213   1.665
  102    HE3  TRP  19           HE3      TRP  19 -10.055   5.100   1.632
  103    HZ2  TRP  19           HZ2      TRP  19 -12.404   1.066  -0.121
  104    HZ3  TRP  19           HZ3      TRP  19 -11.840   5.297  -0.052
  105    HH2  TRP  19           HH2      TRP  19 -12.991   3.320  -0.909
  106    HA   PRO  20           HA       PRO  20  -7.497   2.425   0.564
  107   1HB   PRO  20          2HB       PRO  20  -7.677   2.607  -2.059
  108   2HB   PRO  20          1HB       PRO  20  -8.983   3.189  -1.025
  109   1HG   PRO  20          2HG       PRO  20  -6.927   4.740  -2.516
  110   2HG   PRO  20          1HG       PRO  20  -8.619   5.147  -2.188
  111   1HD   PRO  20          2HD       PRO  20  -6.341   6.025  -0.743
  112   2HD   PRO  20          1HD       PRO  20  -8.043   6.251  -0.293
  113    H    VAL  21           H        VAL  21  -4.813   3.898   0.884
  114    HA   VAL  21           HA       VAL  21  -3.317   2.123  -0.946
  115    HB   VAL  21           HB       VAL  21  -1.448   3.809  -0.883
  116   1HG1  VAL  21          1HG1      VAL  21  -2.692   5.383  -2.516
  117   2HG1  VAL  21          2HG1      VAL  21  -4.059   4.297  -2.261
  118   3HG1  VAL  21          3HG1      VAL  21  -2.548   3.673  -2.921
  119   1HG2  VAL  21          1HG2      VAL  21  -1.870   5.277   0.843
  120   2HG2  VAL  21          2HG2      VAL  21  -3.584   5.406   0.455
  121   3HG2  VAL  21          3HG2      VAL  21  -2.387   6.210  -0.561
  122    H    CYS  22           H        CYS  22  -0.884   2.045  -0.149
  123    HA   CYS  22           HA       CYS  22  -0.995   1.468   2.742
  124   1HB   CYS  22          2HB       CYS  22   0.459  -0.005   0.541
  125   2HB   CYS  22          1HB       CYS  22   0.714  -0.303   2.259
  126    H    THR  23           H        THR  23   0.846   1.861   3.991
  127    HA   THR  23           HA       THR  23   2.944   3.456   2.699
  128    HB   THR  23           HB       THR  23   2.960   4.873   4.826
  129    HG1  THR  23           HG1      THR  23   0.266   4.501   5.200
  130   1HG2  THR  23          1HG2      THR  23   0.476   5.757   3.804
  131   2HG2  THR  23          2HG2      THR  23   1.375   5.063   2.455
  132   3HG2  THR  23          3HG2      THR  23   2.087   6.359   3.416
  133    H    ARG  24           H        ARG  24   4.846   3.747   4.129
  134    HA   ARG  24           HA       ARG  24   5.276   1.738   6.173
  135   1HB   ARG  24          2HB       ARG  24   6.433   1.604   3.448
  136   2HB   ARG  24          1HB       ARG  24   7.565   1.358   4.768
  137   1HG   ARG  24          2HG       ARG  24   5.029  -0.211   4.358
  138   2HG   ARG  24          1HG       ARG  24   6.643  -0.740   3.879
  139   1HD   ARG  24          2HD       ARG  24   5.664  -0.182   6.677
  140   2HD   ARG  24          1HD       ARG  24   6.073  -1.753   5.988
  141    HE   ARG  24           HE       ARG  24   8.312  -0.067   5.809
  142   1HH1  ARG  24          1HH1      ARG  24   6.424  -1.814   8.185
  143   2HH1  ARG  24          2HH1      ARG  24   7.734  -1.941   9.317
  144   1HH2  ARG  24          1HH2      ARG  24  10.046  -0.231   7.303
  145   2HH2  ARG  24          2HH2      ARG  24   9.798  -1.040   8.813
  146    H    ASN  25           H        ASN  25   6.257   2.767   7.763
  147    HA   ASN  25           HA       ASN  25   7.460   4.275   8.960
  148   1HB   ASN  25          2HB       ASN  25   9.281   3.103   7.562
  149   2HB   ASN  25          1HB       ASN  25   9.294   4.568   6.587
  150   1HD2  ASN  25          1HD2      ASN  25  10.753   6.009   7.158
  151   2HD2  ASN  25          2HD2      ASN  25  11.418   6.214   8.739
  152    H    GLY  26           H        GLY  26   5.264   5.288   7.540
  153   1HA   GLY  26          2HA       GLY  26   4.303   7.365   7.268
  154   2HA   GLY  26          1HA       GLY  26   5.861   8.085   7.630
  155    H    LEU  27           H        LEU  27   6.089   5.819   5.128
  156    HA   LEU  27           HA       LEU  27   5.849   7.956   3.107
  157   1HB   LEU  27          2HB       LEU  27   7.844   5.683   3.177
  158   2HB   LEU  27          1HB       LEU  27   7.687   6.854   1.883
  159    HG   LEU  27           HG       LEU  27   8.487   7.516   4.719
  160   1HD1  LEU  27          1HD1      LEU  27   9.998   6.325   2.687
  161   2HD1  LEU  27          2HD1      LEU  27  10.588   7.052   4.182
  162   3HD1  LEU  27          3HD1      LEU  27  10.477   8.022   2.713
  163   1HD2  LEU  27          1HD2      LEU  27   7.345   9.177   2.878
  164   2HD2  LEU  27          2HD2      LEU  27   9.065   9.403   2.558
  165   3HD2  LEU  27          3HD2      LEU  27   8.423   9.689   4.175
  166    HA   PRO  28           HA       PRO  28   2.843   5.225   1.331
  167   1HB   PRO  28          2HB       PRO  28   3.360   6.556  -1.217
  168   2HB   PRO  28          1HB       PRO  28   1.879   6.495  -0.265
  169   1HG   PRO  28          2HG       PRO  28   3.385   8.743  -0.495
  170   2HG   PRO  28          1HG       PRO  28   2.409   8.372   0.937
  171   1HD   PRO  28          2HD       PRO  28   5.355   8.163   0.543
  172   2HD   PRO  28          1HD       PRO  28   4.434   8.572   2.002
  173    H    VAL  29           H        VAL  29   2.858   3.355   0.258
  174    HA   VAL  29           HA       VAL  29   5.400   2.476  -0.865
  175    HB   VAL  29           HB       VAL  29   2.902   0.845  -0.303
  176   1HG1  VAL  29          1HG1      VAL  29   5.004   0.204  -1.944
  177   2HG1  VAL  29          2HG1      VAL  29   3.961  -0.957  -1.123
  178   3HG1  VAL  29          3HG1      VAL  29   5.504  -0.495  -0.404
  179   1HG2  VAL  29          1HG2      VAL  29   4.281  -0.020   1.615
  180   2HG2  VAL  29          2HG2      VAL  29   3.718   1.643   1.779
  181   3HG2  VAL  29          3HG2      VAL  29   5.391   1.319   1.326
  Start of MODEL   10
    1    H    ALA   1           H        ALA   1   4.703   3.674  -3.540
    2    HA   ALA   1           HA       ALA   1   2.191   4.095  -4.809
    3   1HB   ALA   1          1HB       ALA   1   4.020   3.759  -6.844
    4   2HB   ALA   1          2HB       ALA   1   5.002   4.352  -5.504
    5   3HB   ALA   1          3HB       ALA   1   3.608   5.282  -6.057
    6    H    GLY   2           H        GLY   2   0.907   2.693  -5.816
    7   1HA   GLY   2          2HA       GLY   2   0.429   0.838  -7.196
    8   2HA   GLY   2          1HA       GLY   2   1.991   0.155  -6.773
    9    H    GLU   3           H        GLU   3   1.718   0.472  -3.935
   10    HA   GLU   3           HA       GLU   3   0.128  -1.880  -3.433
   11   1HB   GLU   3          2HB       GLU   3   2.376  -1.376  -2.351
   12   2HB   GLU   3          1HB       GLU   3   1.539  -0.187  -1.374
   13   1HG   GLU   3          2HG       GLU   3   0.240  -1.835  -0.304
   14   2HG   GLU   3          1HG       GLU   3   0.716  -3.069  -1.467
   15    H    THR   4           H        THR   4  -1.979  -1.714  -3.216
   16    HA   THR   4           HA       THR   4  -3.102   0.694  -1.987
   17    HB   THR   4           HB       THR   4  -5.274  -0.089  -2.890
   18    HG1  THR   4           HG1      THR   4  -3.966  -2.350  -3.240
   19   1HG2  THR   4          1HG2      THR   4  -4.923   0.916  -4.907
   20   2HG2  THR   4          2HG2      THR   4  -3.491  -0.049  -5.263
   21   3HG2  THR   4          3HG2      THR   4  -3.380   1.317  -4.153
   22    H    CYS   5           H        CYS   5  -4.726   0.519  -0.399
   23    HA   CYS   5           HA       CYS   5  -4.693  -2.049   1.047
   24   1HB   CYS   5          2HB       CYS   5  -3.505  -0.088   2.178
   25   2HB   CYS   5          1HB       CYS   5  -5.095   0.654   2.341
   26    H    VAL   6           H        VAL   6  -6.498  -1.504  -0.980
   27    HA   VAL   6           HA       VAL   6  -8.936  -0.394  -0.122
   28    HB   VAL   6           HB       VAL   6  -8.607  -2.593  -2.166
   29   1HG1  VAL   6          1HG1      VAL   6 -10.628  -0.573  -2.661
   30   2HG1  VAL   6          2HG1      VAL   6 -10.905  -1.444  -1.153
   31   3HG1  VAL   6          3HG1      VAL   6 -10.760  -2.332  -2.670
   32   1HG2  VAL   6          1HG2      VAL   6  -7.390  -1.147  -3.345
   33   2HG2  VAL   6          2HG2      VAL   6  -7.710   0.157  -2.202
   34   3HG2  VAL   6          3HG2      VAL   6  -8.853  -0.174  -3.503
   35    H    GLY   7           H        GLY   7  -7.664  -3.677   0.019
   36   1HA   GLY   7          2HA       GLY   7 -10.075  -4.691   1.292
   37   2HA   GLY   7          1HA       GLY   7  -8.639  -5.606   0.879
   38    H    GLY   8           H        GLY   8  -7.942  -2.754   2.460
   39   1HA   GLY   8          2HA       GLY   8  -7.258  -2.220   4.594
   40   2HA   GLY   8          1HA       GLY   8  -8.275  -3.530   5.162
   41    H    THR   9           H        THR   9  -5.869  -4.203   2.833
   42    HA   THR   9           HA       THR   9  -3.883  -5.024   4.776
   43    HB   THR   9           HB       THR   9  -3.875  -7.313   3.391
   44    HG1  THR   9           HG1      THR   9  -6.631  -6.578   3.528
   45   1HG2  THR   9          1HG2      THR   9  -5.391  -6.562   5.865
   46   2HG2  THR   9          2HG2      THR   9  -3.890  -7.476   5.712
   47   3HG2  THR   9          3HG2      THR   9  -5.425  -8.219   5.260
   48    H    CYS  10           H        CYS  10  -1.838  -5.308   3.899
   49    HA   CYS  10           HA       CYS  10  -1.533  -4.485   1.089
   50   1HB   CYS  10          2HB       CYS  10   0.548  -4.219   3.244
   51   2HB   CYS  10          1HB       CYS  10   0.569  -3.508   1.641
   52    H    ASN  11           H        ASN  11   0.518  -5.287   0.113
   53    HA   ASN  11           HA       ASN  11   0.603  -8.161   0.435
   54   1HB   ASN  11          2HB       ASN  11   2.006  -6.323  -1.518
   55   2HB   ASN  11          1HB       ASN  11   2.140  -8.077  -1.538
   56   1HD2  ASN  11          1HD2      ASN  11   0.823  -9.087  -2.862
   57   2HD2  ASN  11          2HD2      ASN  11  -0.683  -8.487  -3.455
   58    H    THR  12           H        THR  12   2.606  -5.371   1.018
   59    HA   THR  12           HA       THR  12   4.941  -6.943   1.693
   60    HB   THR  12           HB       THR  12   4.535  -4.026   2.339
   61    HG1  THR  12           HG1      THR  12   4.048  -4.258   0.141
   62   1HG2  THR  12          1HG2      THR  12   7.069  -5.344   1.431
   63   2HG2  THR  12          2HG2      THR  12   6.556  -5.469   3.115
   64   3HG2  THR  12          3HG2      THR  12   6.856  -3.885   2.398
   65    HA   PRO  13           HA       PRO  13   3.684  -7.761   5.882
   66   1HB   PRO  13          2HB       PRO  13   6.551  -8.260   6.337
   67   2HB   PRO  13          1HB       PRO  13   5.178  -9.355   6.520
   68   1HG   PRO  13          2HG       PRO  13   6.947  -9.607   4.514
   69   2HG   PRO  13          1HG       PRO  13   5.233 -10.006   4.313
   70   1HD   PRO  13          2HD       PRO  13   6.737  -7.586   3.409
   71   2HD   PRO  13          1HD       PRO  13   5.434  -8.476   2.597
   72    H    GLY  14           H        GLY  14   3.559  -6.531   7.658
   73   1HA   GLY  14          2HA       GLY  14   4.023  -4.906   9.224
   74   2HA   GLY  14          1HA       GLY  14   5.668  -4.861   8.608
   75    H    ALA  15           H        ALA  15   2.893  -4.329   6.563
   76    HA   ALA  15           HA       ALA  15   3.837  -1.620   6.043
   77   1HB   ALA  15          1HB       ALA  15   3.395  -2.251   3.954
   78   2HB   ALA  15          2HB       ALA  15   1.686  -2.102   4.364
   79   3HB   ALA  15          3HB       ALA  15   2.492  -3.665   4.497
   80    H    THR  16           H        THR  16   2.555   0.191   6.261
   81    HA   THR  16           HA       THR  16   0.384  -0.053   8.183
   82    HB   THR  16           HB       THR  16   1.259   2.562   7.035
   83    HG1  THR  16           HG1      THR  16   2.813   0.792   8.559
   84   1HG2  THR  16          1HG2      THR  16   0.320   1.580   9.723
   85   2HG2  THR  16          2HG2      THR  16  -0.485   2.708   8.633
   86   3HG2  THR  16          3HG2      THR  16   0.984   3.195   9.478
   87    H    CYS  17           H        CYS  17  -1.707   0.734   7.761
   88    HA   CYS  17           HA       CYS  17  -2.391   0.716   4.926
   89   1HB   CYS  17          2HB       CYS  17  -3.575  -0.845   6.452
   90   2HB   CYS  17          1HB       CYS  17  -4.240   0.542   7.310
   91    H    SER  18           H        SER  18  -3.274   2.362   3.879
   92    HA   SER  18           HA       SER  18  -4.188   4.729   5.308
   93   1HB   SER  18          2HB       SER  18  -2.078   4.785   3.135
   94   2HB   SER  18          1HB       SER  18  -2.823   6.204   3.870
   95    HG   SER  18           HG       SER  18  -1.970   4.830   5.885
   96    H    TRP  19           H        TRP  19  -5.961   3.222   4.450
   97    HA   TRP  19           HA       TRP  19  -6.772   2.648   2.024
   98   1HB   TRP  19          2HB       TRP  19  -8.089   2.726   4.309
   99   2HB   TRP  19          1HB       TRP  19  -8.789   4.181   3.603
  100    HD1  TRP  19           HD1      TRP  19  -8.767   0.396   3.250
  101    HE1  TRP  19           HE1      TRP  19 -10.609  -0.316   1.601
  102    HE3  TRP  19           HE3      TRP  19 -10.133   5.005   1.539
  103    HZ2  TRP  19           HZ2      TRP  19 -12.406   0.918  -0.188
  104    HZ3  TRP  19           HZ3      TRP  19 -11.927   5.160  -0.141
  105    HH2  TRP  19           HH2      TRP  19 -13.039   3.156  -0.987
  106    HA   PRO  20           HA       PRO  20  -7.518   2.394   0.480
  107   1HB   PRO  20          2HB       PRO  20  -7.715   2.571  -2.139
  108   2HB   PRO  20          1HB       PRO  20  -9.027   3.130  -1.101
  109   1HG   PRO  20          2HG       PRO  20  -7.005   4.718  -2.604
  110   2HG   PRO  20          1HG       PRO  20  -8.703   5.096  -2.265
  111   1HD   PRO  20          2HD       PRO  20  -6.429   6.009  -0.833
  112   2HD   PRO  20          1HD       PRO  20  -8.132   6.214  -0.377
  113    H    VAL  21           H        VAL  21  -4.864   3.893   0.812
  114    HA   VAL  21           HA       VAL  21  -3.341   2.159  -1.034
  115    HB   VAL  21           HB       VAL  21  -1.494   3.858  -0.972
  116   1HG1  VAL  21          1HG1      VAL  21  -4.107   4.260  -2.347
  117   2HG1  VAL  21          2HG1      VAL  21  -2.540   3.797  -3.014
  118   3HG1  VAL  21          3HG1      VAL  21  -2.840   5.471  -2.543
  119   1HG2  VAL  21          1HG2      VAL  21  -3.169   6.146  -0.548
  120   2HG2  VAL  21          2HG2      VAL  21  -1.643   5.718   0.225
  121   3HG2  VAL  21          3HG2      VAL  21  -3.165   5.121   0.887
  122    H    CYS  22           H        CYS  22  -0.944   2.037  -0.257
  123    HA   CYS  22           HA       CYS  22  -1.036   1.405   2.615
  124   1HB   CYS  22          2HB       CYS  22   0.412   0.065   0.331
  125   2HB   CYS  22          1HB       CYS  22   0.834  -0.227   2.017
  126    H    THR  23           H        THR  23   0.744   1.848   3.901
  127    HA   THR  23           HA       THR  23   2.790   3.598   2.721
  128    HB   THR  23           HB       THR  23   2.783   4.759   5.038
  129    HG1  THR  23           HG1      THR  23   0.073   4.435   5.241
  130   1HG2  THR  23          1HG2      THR  23   0.480   5.955   4.121
  131   2HG2  THR  23          2HG2      THR  23   1.123   5.186   2.670
  132   3HG2  THR  23          3HG2      THR  23   2.117   6.325   3.577
  133    H    ARG  24           H        ARG  24   4.796   3.627   3.916
  134    HA   ARG  24           HA       ARG  24   5.174   1.553   5.909
  135   1HB   ARG  24          2HB       ARG  24   5.408   0.477   3.636
  136   2HB   ARG  24          1HB       ARG  24   6.781   1.533   3.349
  137   1HG   ARG  24          2HG       ARG  24   8.150   0.319   4.647
  138   2HG   ARG  24          1HG       ARG  24   6.894  -0.019   5.838
  139   1HD   ARG  24          2HD       ARG  24   7.727  -2.026   4.596
  140   2HD   ARG  24          1HD       ARG  24   5.987  -1.771   4.505
  141    HE   ARG  24           HE       ARG  24   7.921  -1.413   2.333
  142   1HH1  ARG  24          1HH1      ARG  24   4.585  -1.430   3.410
  143   2HH1  ARG  24          2HH1      ARG  24   3.924  -1.496   1.797
  144   1HH2  ARG  24          1HH2      ARG  24   7.033  -1.490   0.206
  145   2HH2  ARG  24          2HH2      ARG  24   5.311  -1.532   0.004
  146    H    ASN  25           H        ASN  25   6.549   2.259   7.389
  147    HA   ASN  25           HA       ASN  25   8.011   3.576   8.518
  148   1HB   ASN  25          2HB       ASN  25   9.288   3.655   5.784
  149   2HB   ASN  25          1HB       ASN  25  10.009   4.437   7.184
  150   1HD2  ASN  25          1HD2      ASN  25   8.720   2.063   8.743
  151   2HD2  ASN  25          2HD2      ASN  25   9.901   0.818   8.560
  152    H    GLY  26           H        GLY  26   5.621   4.742   7.447
  153   1HA   GLY  26          2HA       GLY  26   4.645   6.826   7.540
  154   2HA   GLY  26          1HA       GLY  26   6.222   7.494   7.929
  155    H    LEU  27           H        LEU  27   5.985   5.574   5.082
  156    HA   LEU  27           HA       LEU  27   5.799   7.996   3.414
  157   1HB   LEU  27          2HB       LEU  27   7.724   5.690   3.065
  158   2HB   LEU  27          1HB       LEU  27   7.499   6.990   1.911
  159    HG   LEU  27           HG       LEU  27   8.515   7.359   4.731
  160   1HD1  LEU  27          1HD1      LEU  27   9.845   6.370   2.440
  161   2HD1  LEU  27          2HD1      LEU  27  10.532   6.803   4.005
  162   3HD1  LEU  27          3HD1      LEU  27  10.423   8.012   2.726
  163   1HD2  LEU  27          1HD2      LEU  27   9.220   9.590   3.731
  164   2HD2  LEU  27          2HD2      LEU  27   7.502   9.373   4.065
  165   3HD2  LEU  27          3HD2      LEU  27   8.104   9.228   2.415
  166    HA   PRO  28           HA       PRO  28   2.611   5.614   1.479
  167   1HB   PRO  28          2HB       PRO  28   2.966   7.293  -0.877
  168   2HB   PRO  28          1HB       PRO  28   1.573   7.146   0.192
  169   1HG   PRO  28          2HG       PRO  28   3.165   9.351   0.130
  170   2HG   PRO  28          1HG       PRO  28   2.283   8.827   1.573
  171   1HD   PRO  28          2HD       PRO  28   5.177   8.557   0.918
  172   2HD   PRO  28          1HD       PRO  28   4.389   8.801   2.488
  173    H    VAL  29           H        VAL  29   2.513   3.925   0.153
  174    HA   VAL  29           HA       VAL  29   4.900   3.336  -1.451
  175    HB   VAL  29           HB       VAL  29   2.780   1.404  -0.466
  176   1HG1  VAL  29          1HG1      VAL  29   4.845   1.172  -2.430
  177   2HG1  VAL  29          2HG1      VAL  29   3.691  -0.044  -1.887
  178   3HG1  VAL  29          3HG1      VAL  29   5.236   0.136  -1.059
  179   1HG2  VAL  29          1HG2      VAL  29   3.895   2.132   1.465
  180   2HG2  VAL  29          2HG2      VAL  29   5.457   2.189   0.651
  181   3HG2  VAL  29          3HG2      VAL  29   4.710   0.635   1.017
  Start of MODEL   11
    1    H    ALA   1           H        ALA   1   4.330   4.014  -3.398
    2    HA   ALA   1           HA       ALA   1   1.712   4.211  -4.415
    3   1HB   ALA   1          1HB       ALA   1   3.423   3.975  -6.610
    4   2HB   ALA   1          2HB       ALA   1   4.383   4.733  -5.340
    5   3HB   ALA   1          3HB       ALA   1   2.858   5.460  -5.846
    6    H    GLY   2           H        GLY   2   4.073   1.632  -4.490
    7   1HA   GLY   2          2HA       GLY   2   2.460   0.059  -6.330
    8   2HA   GLY   2          1HA       GLY   2   4.036  -0.381  -5.693
    9    H    GLU   3           H        GLU   3   1.273   0.666  -3.778
   10    HA   GLU   3           HA       GLU   3   0.538  -2.009  -3.042
   11   1HB   GLU   3          2HB       GLU   3   2.612  -1.609  -1.705
   12   2HB   GLU   3          1HB       GLU   3   1.797  -0.268  -0.923
   13   1HG   GLU   3          2HG       GLU   3   1.788  -2.284   0.444
   14   2HG   GLU   3          1HG       GLU   3   0.161  -1.757   0.023
   15    H    THR   4           H        THR   4  -1.544  -1.998  -2.694
   16    HA   THR   4           HA       THR   4  -2.806   0.492  -1.778
   17    HB   THR   4           HB       THR   4  -4.892  -0.328  -2.854
   18    HG1  THR   4           HG1      THR   4  -3.326  -2.523  -3.258
   19   1HG2  THR   4          1HG2      THR   4  -2.632  -0.124  -4.840
   20   2HG2  THR   4          2HG2      THR   4  -3.269   1.260  -3.951
   21   3HG2  THR   4          3HG2      THR   4  -4.312   0.366  -5.057
   22    H    CYS   5           H        CYS   5  -4.607   0.321  -0.362
   23    HA   CYS   5           HA       CYS   5  -4.666  -2.219   1.135
   24   1HB   CYS   5          2HB       CYS   5  -3.524  -0.285   2.323
   25   2HB   CYS   5          1HB       CYS   5  -5.092   0.519   2.349
   26    H    VAL   6           H        VAL   6  -6.344  -1.639  -1.012
   27    HA   VAL   6           HA       VAL   6  -8.823  -0.529  -0.259
   28    HB   VAL   6           HB       VAL   6  -8.422  -2.680  -2.337
   29   1HG1  VAL   6          1HG1      VAL   6 -10.306  -0.916  -3.260
   30   2HG1  VAL   6          2HG1      VAL   6 -10.657  -0.996  -1.534
   31   3HG1  VAL   6          3HG1      VAL   6 -10.638  -2.471  -2.498
   32   1HG2  VAL   6          1HG2      VAL   6  -7.310  -1.265  -3.643
   33   2HG2  VAL   6          2HG2      VAL   6  -7.187  -0.173  -2.263
   34   3HG2  VAL   6          3HG2      VAL   6  -8.525  -0.009  -3.401
   35    H    GLY   7           H        GLY   7  -7.516  -3.787  -0.057
   36   1HA   GLY   7          2HA       GLY   7  -9.991  -4.931   0.905
   37   2HA   GLY   7          1HA       GLY   7  -8.447  -5.741   0.753
   38    H    GLY   8           H        GLY   8  -8.174  -2.846   2.373
   39   1HA   GLY   8          2HA       GLY   8  -8.076  -2.248   4.610
   40   2HA   GLY   8          1HA       GLY   8  -8.862  -3.767   5.009
   41    H    THR   9           H        THR   9  -6.308  -4.504   3.073
   42    HA   THR   9           HA       THR   9  -4.249  -4.457   5.111
   43    HB   THR   9           HB       THR   9  -3.897  -7.015   4.511
   44    HG1  THR   9           HG1      THR   9  -6.692  -6.575   4.184
   45   1HG2  THR   9          1HG2      THR   9  -5.337  -7.580   6.544
   46   2HG2  THR   9          2HG2      THR   9  -5.730  -5.862   6.598
   47   3HG2  THR   9          3HG2      THR   9  -4.057  -6.389   6.774
   48    H    CYS  10           H        CYS  10  -2.179  -4.677   4.273
   49    HA   CYS  10           HA       CYS  10  -1.981  -4.378   1.378
   50   1HB   CYS  10          2HB       CYS  10   0.327  -4.235   3.295
   51   2HB   CYS  10          1HB       CYS  10   0.187  -3.510   1.708
   52    H    ASN  11           H        ASN  11  -0.199  -5.481   0.281
   53    HA   ASN  11           HA       ASN  11  -0.196  -8.313   0.943
   54   1HB   ASN  11          2HB       ASN  11  -0.577  -7.761  -1.376
   55   2HB   ASN  11          1HB       ASN  11   0.852  -6.735  -1.421
   56   1HD2  ASN  11          1HD2      ASN  11   2.548  -7.590  -2.340
   57   2HD2  ASN  11          2HD2      ASN  11   2.901  -9.275  -2.474
   58    H    THR  12           H        THR  12   1.922  -5.563   0.750
   59    HA   THR  12           HA       THR  12   4.382  -6.915   1.169
   60    HB   THR  12           HB       THR  12   3.711  -4.038   1.818
   61    HG1  THR  12           HG1      THR  12   3.174  -4.546  -0.361
   62   1HG2  THR  12          1HG2      THR  12   6.352  -4.643   0.747
   63   2HG2  THR  12          2HG2      THR  12   6.040  -5.457   2.280
   64   3HG2  THR  12          3HG2      THR  12   5.898  -3.703   2.169
   65    HA   PRO  13           HA       PRO  13   3.800  -7.776   5.514
   66   1HB   PRO  13          2HB       PRO  13   6.353  -8.607   6.009
   67   2HB   PRO  13          1HB       PRO  13   5.122  -9.627   5.256
   68   1HG   PRO  13          2HG       PRO  13   7.336  -8.073   3.985
   69   2HG   PRO  13          1HG       PRO  13   6.741  -9.698   3.608
   70   1HD   PRO  13          2HD       PRO  13   6.081  -7.531   2.129
   71   2HD   PRO  13          1HD       PRO  13   4.978  -8.904   2.353
   72    H    GLY  14           H        GLY  14   3.909  -6.463   7.185
   73   1HA   GLY  14          2HA       GLY  14   4.688  -4.891   8.683
   74   2HA   GLY  14          1HA       GLY  14   6.227  -4.914   7.838
   75    H    ALA  15           H        ALA  15   3.124  -4.220   6.338
   76    HA   ALA  15           HA       ALA  15   4.064  -1.480   5.833
   77   1HB   ALA  15          1HB       ALA  15   2.480  -3.398   4.177
   78   2HB   ALA  15          2HB       ALA  15   3.870  -2.410   3.727
   79   3HB   ALA  15          3HB       ALA  15   2.286  -1.662   3.936
   80    H    THR  16           H        THR  16   2.687   0.231   6.190
   81    HA   THR  16           HA       THR  16   0.478  -0.295   8.007
   82    HB   THR  16           HB       THR  16   1.264   2.451   7.127
   83    HG1  THR  16           HG1      THR  16   2.857   0.608   8.470
   84   1HG2  THR  16          1HG2      THR  16   0.459   1.305   9.802
   85   2HG2  THR  16          2HG2      THR  16  -0.621   2.129   8.678
   86   3HG2  THR  16          3HG2      THR  16   0.706   3.011   9.432
   87    H    CYS  17           H        CYS  17  -1.621   0.443   7.642
   88    HA   CYS  17           HA       CYS  17  -2.367   0.525   4.842
   89   1HB   CYS  17          2HB       CYS  17  -3.565  -0.979   6.393
   90   2HB   CYS  17          1HB       CYS  17  -4.123   0.423   7.300
   91    H    SER  18           H        SER  18  -3.293   2.179   3.807
   92    HA   SER  18           HA       SER  18  -4.113   4.581   5.216
   93   1HB   SER  18          2HB       SER  18  -2.009   4.620   3.035
   94   2HB   SER  18          1HB       SER  18  -2.712   6.037   3.815
   95    HG   SER  18           HG       SER  18  -1.848   4.542   5.768
   96    H    TRP  19           H        TRP  19  -5.904   3.090   4.347
   97    HA   TRP  19           HA       TRP  19  -6.708   2.529   1.918
   98   1HB   TRP  19          2HB       TRP  19  -8.046   2.635   4.197
   99   2HB   TRP  19          1HB       TRP  19  -8.731   4.085   3.464
  100    HD1  TRP  19           HD1      TRP  19  -8.710   0.295   3.154
  101    HE1  TRP  19           HE1      TRP  19 -10.524  -0.437   1.483
  102    HE3  TRP  19           HE3      TRP  19 -10.060   4.885   1.374
  103    HZ2  TRP  19           HZ2      TRP  19 -12.294   0.772  -0.346
  104    HZ3  TRP  19           HZ3      TRP  19 -11.828   5.015  -0.336
  105    HH2  TRP  19           HH2      TRP  19 -12.921   2.999  -1.177
  106    HA   PRO  20           HA       PRO  20  -7.488   2.279   0.382
  107   1HB   PRO  20          2HB       PRO  20  -7.623   2.440  -2.250
  108   2HB   PRO  20          1HB       PRO  20  -8.948   3.022  -1.241
  109   1HG   PRO  20          2HG       PRO  20  -6.873   4.573  -2.708
  110   2HG   PRO  20          1HG       PRO  20  -8.572   4.975  -2.408
  111   1HD   PRO  20          2HD       PRO  20  -6.325   5.878  -0.938
  112   2HD   PRO  20          1HD       PRO  20  -8.033   6.088  -0.508
  113    H    VAL  21           H        VAL  21  -4.806   3.816   0.679
  114    HA   VAL  21           HA       VAL  21  -3.283   1.974  -1.058
  115    HB   VAL  21           HB       VAL  21  -1.423   3.688  -1.014
  116   1HG1  VAL  21          1HG1      VAL  21  -3.843   3.614  -2.612
  117   2HG1  VAL  21          2HG1      VAL  21  -2.162   3.791  -3.118
  118   3HG1  VAL  21          3HG1      VAL  21  -3.087   5.208  -2.623
  119   1HG2  VAL  21          1HG2      VAL  21  -2.945   5.002   0.794
  120   2HG2  VAL  21          2HG2      VAL  21  -3.367   5.864  -0.685
  121   3HG2  VAL  21          3HG2      VAL  21  -1.682   5.757  -0.178
  122    H    CYS  22           H        CYS  22  -0.789   2.177  -0.171
  123    HA   CYS  22           HA       CYS  22  -0.986   1.656   2.722
  124   1HB   CYS  22          2HB       CYS  22   0.452   0.059   0.608
  125   2HB   CYS  22          1HB       CYS  22   0.800  -0.110   2.326
  126    H    THR  23           H        THR  23   0.896   2.013   3.961
  127    HA   THR  23           HA       THR  23   2.983   3.645   2.686
  128    HB   THR  23           HB       THR  23   2.979   5.074   4.791
  129    HG1  THR  23           HG1      THR  23   0.285   4.562   5.200
  130   1HG2  THR  23          1HG2      THR  23   1.176   5.178   2.514
  131   2HG2  THR  23          2HG2      THR  23   2.089   6.474   3.289
  132   3HG2  THR  23          3HG2      THR  23   0.509   6.008   3.920
  133    H    ARG  24           H        ARG  24   4.935   3.814   4.087
  134    HA   ARG  24           HA       ARG  24   5.143   1.848   6.204
  135   1HB   ARG  24          2HB       ARG  24   5.617   0.693   3.956
  136   2HB   ARG  24          1HB       ARG  24   7.084   1.661   3.906
  137   1HG   ARG  24          2HG       ARG  24   7.914   0.643   5.895
  138   2HG   ARG  24          1HG       ARG  24   6.378  -0.180   6.177
  139   1HD   ARG  24          2HD       ARG  24   6.726  -1.379   4.006
  140   2HD   ARG  24          1HD       ARG  24   8.343  -0.676   3.947
  141    HE   ARG  24           HE       ARG  24   8.021  -1.941   6.421
  142   1HH1  ARG  24          1HH1      ARG  24   8.228  -2.790   3.035
  143   2HH1  ARG  24          2HH1      ARG  24   8.900  -4.358   3.333
  144   1HH2  ARG  24          1HH2      ARG  24   8.916  -4.005   6.826
  145   2HH2  ARG  24          2HH2      ARG  24   9.286  -5.053   5.499
  146    H    ASN  25           H        ASN  25   6.330   2.661   7.764
  147    HA   ASN  25           HA       ASN  25   7.691   4.014   8.964
  148   1HB   ASN  25          2HB       ASN  25   9.317   4.217   6.417
  149   2HB   ASN  25          1HB       ASN  25   9.875   4.606   8.039
  150   1HD2  ASN  25          1HD2      ASN  25  10.282   2.452   5.763
  151   2HD2  ASN  25          2HD2      ASN  25  10.517   1.016   6.692
  152    H    GLY  26           H        GLY  26   5.461   5.146   7.535
  153   1HA   GLY  26          2HA       GLY  26   4.539   7.266   7.472
  154   2HA   GLY  26          1HA       GLY  26   6.114   7.924   7.887
  155    H    LEU  27           H        LEU  27   6.202   5.809   5.230
  156    HA   LEU  27           HA       LEU  27   6.142   8.096   3.367
  157   1HB   LEU  27          2HB       LEU  27   7.996   5.742   3.525
  158   2HB   LEU  27          1HB       LEU  27   7.682   6.497   1.976
  159    HG   LEU  27           HG       LEU  27   9.706   7.417   2.787
  160   1HD1  LEU  27          1HD1      LEU  27   7.582   8.976   2.125
  161   2HD1  LEU  27          2HD1      LEU  27   9.237   9.552   2.336
  162   3HD1  LEU  27          3HD1      LEU  27   8.080   9.685   3.661
  163   1HD2  LEU  27          1HD2      LEU  27   9.604   6.812   5.101
  164   2HD2  LEU  27          2HD2      LEU  27   8.259   7.918   5.380
  165   3HD2  LEU  27          3HD2      LEU  27   9.857   8.554   4.987
  166    HA   PRO  28           HA       PRO  28   2.803   5.854   1.538
  167   1HB   PRO  28          2HB       PRO  28   3.241   7.420  -0.873
  168   2HB   PRO  28          1HB       PRO  28   1.857   7.407   0.216
  169   1HG   PRO  28          2HG       PRO  28   3.597   9.495   0.052
  170   2HG   PRO  28          1HG       PRO  28   2.694   9.091   1.520
  171   1HD   PRO  28          2HD       PRO  28   5.555   8.587   0.855
  172   2HD   PRO  28          1HD       PRO  28   4.804   8.958   2.419
  173    H    VAL  29           H        VAL  29   2.596   4.129   0.307
  174    HA   VAL  29           HA       VAL  29   4.862   3.383  -1.414
  175    HB   VAL  29           HB       VAL  29   2.841   1.513  -0.124
  176   1HG1  VAL  29          1HG1      VAL  29   4.840  -0.091  -0.720
  177   2HG1  VAL  29          2HG1      VAL  29   5.195   1.146  -1.926
  178   3HG1  VAL  29          3HG1      VAL  29   3.631   0.331  -1.934
  179   1HG2  VAL  29          1HG2      VAL  29   4.627   0.881   1.406
  180   2HG2  VAL  29          2HG2      VAL  29   4.262   2.599   1.559
  181   3HG2  VAL  29          3HG2      VAL  29   5.699   2.078   0.679
  Start of MODEL   12
    1    H    ALA   1           H        ALA   1   5.632   2.434  -3.159
    2    HA   ALA   1           HA       ALA   1   3.563   3.233  -4.854
    3   1HB   ALA   1          1HB       ALA   1   5.530   3.656  -5.867
    4   2HB   ALA   1          2HB       ALA   1   5.249   2.073  -6.589
    5   3HB   ALA   1          3HB       ALA   1   6.313   2.228  -5.192
    6    H    GLY   2           H        GLY   2   1.892   2.195  -5.658
    7   1HA   GLY   2          2HA       GLY   2   0.711   0.506  -6.721
    8   2HA   GLY   2          1HA       GLY   2   2.082  -0.563  -6.489
    9    H    GLU   3           H        GLU   3   2.121   0.050  -3.567
   10    HA   GLU   3           HA       GLU   3   0.419  -2.082  -2.775
   11   1HB   GLU   3          2HB       GLU   3   2.640  -1.384  -1.722
   12   2HB   GLU   3          1HB       GLU   3   1.732  -0.122  -0.908
   13   1HG   GLU   3          2HG       GLU   3   2.046  -2.063   0.515
   14   2HG   GLU   3          1HG       GLU   3   0.341  -1.782   0.169
   15    H    THR   4           H        THR   4  -1.678  -1.931  -2.584
   16    HA   THR   4           HA       THR   4  -2.816   0.574  -1.584
   17    HB   THR   4           HB       THR   4  -4.967  -0.226  -2.650
   18    HG1  THR   4           HG1      THR   4  -3.203  -1.890  -4.152
   19   1HG2  THR   4          1HG2      THR   4  -2.544   0.600  -4.215
   20   2HG2  THR   4          2HG2      THR   4  -3.940   1.565  -3.735
   21   3HG2  THR   4          3HG2      THR   4  -4.098   0.360  -5.014
   22    H    CYS   5           H        CYS   5  -4.622   0.434  -0.162
   23    HA   CYS   5           HA       CYS   5  -4.711  -2.121   1.304
   24   1HB   CYS   5          2HB       CYS   5  -3.568  -0.231   2.523
   25   2HB   CYS   5          1HB       CYS   5  -5.104   0.630   2.504
   26    H    VAL   6           H        VAL   6  -6.368  -1.491  -0.860
   27    HA   VAL   6           HA       VAL   6  -8.867  -0.430  -0.092
   28    HB   VAL   6           HB       VAL   6  -8.416  -2.508  -2.236
   29   1HG1  VAL   6          1HG1      VAL   6 -10.411  -1.712  -3.233
   30   2HG1  VAL   6          2HG1      VAL   6 -10.493  -0.336  -2.133
   31   3HG1  VAL   6          3HG1      VAL   6 -10.771  -1.969  -1.526
   32   1HG2  VAL   6          1HG2      VAL   6  -8.236  -0.524  -3.769
   33   2HG2  VAL   6          2HG2      VAL   6  -6.865  -0.760  -2.685
   34   3HG2  VAL   6          3HG2      VAL   6  -8.066   0.480  -2.329
   35    H    GLY   7           H        GLY   7  -7.518  -3.673   0.004
   36   1HA   GLY   7          2HA       GLY   7  -9.982  -4.857   0.967
   37   2HA   GLY   7          1HA       GLY   7  -8.448  -5.668   0.728
   38    H    GLY   8           H        GLY   8  -8.077  -2.851   2.448
   39   1HA   GLY   8          2HA       GLY   8  -7.879  -2.340   4.698
   40   2HA   GLY   8          1HA       GLY   8  -8.696  -3.850   5.069
   41    H    THR   9           H        THR   9  -6.190  -4.507   3.011
   42    HA   THR   9           HA       THR   9  -4.102  -4.652   5.015
   43    HB   THR   9           HB       THR   9  -3.816  -7.168   4.201
   44    HG1  THR   9           HG1      THR   9  -6.616  -6.654   4.026
   45   1HG2  THR   9          1HG2      THR   9  -3.920  -7.224   6.439
   46   2HG2  THR   9          2HG2      THR   9  -5.637  -7.564   6.230
   47   3HG2  THR   9          3HG2      THR   9  -5.094  -5.909   6.501
   48    H    CYS  10           H        CYS  10  -2.048  -4.853   4.138
   49    HA   CYS  10           HA       CYS  10  -1.883  -4.361   1.262
   50   1HB   CYS  10          2HB       CYS  10   0.475  -4.319   3.103
   51   2HB   CYS  10          1HB       CYS  10   0.231  -3.447   1.604
   52    H    ASN  11           H        ASN  11  -0.221  -5.380   0.038
   53    HA   ASN  11           HA       ASN  11  -0.149  -8.239   0.481
   54   1HB   ASN  11          2HB       ASN  11  -0.485  -7.445  -1.784
   55   2HB   ASN  11          1HB       ASN  11   0.972  -6.464  -1.703
   56   1HD2  ASN  11          1HD2      ASN  11   2.679  -7.283  -2.642
   57   2HD2  ASN  11          2HD2      ASN  11   2.983  -8.959  -2.930
   58    H    THR  12           H        THR  12   2.054  -5.505   0.475
   59    HA   THR  12           HA       THR  12   4.369  -7.130   1.050
   60    HB   THR  12           HB       THR  12   4.084  -4.121   1.194
   61    HG1  THR  12           HG1      THR  12   3.675  -4.704  -0.908
   62   1HG2  THR  12          1HG2      THR  12   6.412  -6.002   1.304
   63   2HG2  THR  12          2HG2      THR  12   6.070  -4.590   2.304
   64   3HG2  THR  12          3HG2      THR  12   6.614  -4.382   0.639
   65    HA   PRO  13           HA       PRO  13   3.482  -7.330   5.422
   66   1HB   PRO  13          2HB       PRO  13   5.888  -8.427   6.137
   67   2HB   PRO  13          1HB       PRO  13   4.535  -9.355   5.481
   68   1HG   PRO  13          2HG       PRO  13   6.971  -8.316   4.093
   69   2HG   PRO  13          1HG       PRO  13   6.163  -9.884   3.916
   70   1HD   PRO  13          2HD       PRO  13   5.834  -7.894   2.127
   71   2HD   PRO  13          1HD       PRO  13   4.526  -9.026   2.529
   72    H    GLY  14           H        GLY  14   3.880  -6.054   7.149
   73   1HA   GLY  14          2HA       GLY  14   5.038  -4.589   8.541
   74   2HA   GLY  14          1HA       GLY  14   6.356  -4.564   7.381
   75    H    ALA  15           H        ALA  15   3.569  -4.020   5.683
   76    HA   ALA  15           HA       ALA  15   4.129  -1.161   5.584
   77   1HB   ALA  15          1HB       ALA  15   2.111  -2.625   3.901
   78   2HB   ALA  15          2HB       ALA  15   3.832  -2.624   3.516
   79   3HB   ALA  15          3HB       ALA  15   2.937  -1.105   3.555
   80    H    THR  16           H        THR  16   2.721   0.403   6.259
   81    HA   THR  16           HA       THR  16   0.533  -0.474   7.961
   82    HB   THR  16           HB       THR  16   1.231   2.401   7.508
   83    HG1  THR  16           HG1      THR  16   2.864   0.431   8.584
   84   1HG2  THR  16          1HG2      THR  16  -0.442   0.963   9.266
   85   2HG2  THR  16          2HG2      THR  16  -0.105   2.694   9.266
   86   3HG2  THR  16          3HG2      THR  16   0.886   1.603  10.235
   87    H    CYS  17           H        CYS  17  -1.592   0.258   7.704
   88    HA   CYS  17           HA       CYS  17  -2.393   0.541   4.962
   89   1HB   CYS  17          2HB       CYS  17  -3.630  -0.899   6.554
   90   2HB   CYS  17          1HB       CYS  17  -4.104   0.539   7.453
   91    H    SER  18           H        SER  18  -3.185   2.250   3.951
   92    HA   SER  18           HA       SER  18  -3.859   4.695   5.370
   93   1HB   SER  18          2HB       SER  18  -1.766   4.574   3.182
   94   2HB   SER  18          1HB       SER  18  -2.400   6.052   3.902
   95    HG   SER  18           HG       SER  18  -1.609   4.546   5.901
   96    H    TRP  19           H        TRP  19  -5.726   3.271   4.511
   97    HA   TRP  19           HA       TRP  19  -6.565   2.766   2.082
   98   1HB   TRP  19          2HB       TRP  19  -7.882   2.925   4.384
   99   2HB   TRP  19          1HB       TRP  19  -8.541   4.371   3.621
  100    HD1  TRP  19           HD1      TRP  19  -8.547   0.574   3.351
  101    HE1  TRP  19           HE1      TRP  19 -10.372  -0.158   1.692
  102    HE3  TRP  19           HE3      TRP  19  -9.889   5.163   1.549
  103    HZ2  TRP  19           HZ2      TRP  19 -12.144   1.044  -0.135
  104    HZ3  TRP  19           HZ3      TRP  19 -11.663   5.287  -0.154
  105    HH2  TRP  19           HH2      TRP  19 -12.768   3.269  -0.977
  106    HA   PRO  20           HA       PRO  20  -7.409   2.558   0.561
  107   1HB   PRO  20          2HB       PRO  20  -7.512   2.728  -2.071
  108   2HB   PRO  20          1HB       PRO  20  -8.811   3.382  -1.074
  109   1HG   PRO  20          2HG       PRO  20  -6.619   4.819  -2.495
  110   2HG   PRO  20          1HG       PRO  20  -8.307   5.300  -2.262
  111   1HD   PRO  20          2HD       PRO  20  -6.100   6.138  -0.724
  112   2HD   PRO  20          1HD       PRO  20  -7.812   6.363  -0.318
  113    H    VAL  21           H        VAL  21  -4.636   3.953   0.863
  114    HA   VAL  21           HA       VAL  21  -3.233   2.007  -0.853
  115    HB   VAL  21           HB       VAL  21  -1.289   3.570  -0.933
  116   1HG1  VAL  21          1HG1      VAL  21  -3.774   3.698  -2.388
  117   2HG1  VAL  21          2HG1      VAL  21  -2.119   3.844  -2.980
  118   3HG1  VAL  21          3HG1      VAL  21  -2.969   5.268  -2.379
  119   1HG2  VAL  21          1HG2      VAL  21  -2.643   4.992   0.974
  120   2HG2  VAL  21          2HG2      VAL  21  -2.932   5.940  -0.485
  121   3HG2  VAL  21          3HG2      VAL  21  -1.281   5.589   0.025
  122    H    CYS  22           H        CYS  22  -0.702   2.171   0.002
  123    HA   CYS  22           HA       CYS  22  -0.850   1.654   2.899
  124   1HB   CYS  22          2HB       CYS  22   0.437  -0.009   0.740
  125   2HB   CYS  22          1HB       CYS  22   0.861  -0.183   2.441
  126    H    THR  23           H        THR  23   0.913   2.230   4.126
  127    HA   THR  23           HA       THR  23   3.154   3.528   2.732
  128    HB   THR  23           HB       THR  23   3.175   5.320   4.454
  129    HG1  THR  23           HG1      THR  23   0.527   4.871   5.171
  130   1HG2  THR  23          1HG2      THR  23   2.065   6.532   2.950
  131   2HG2  THR  23          2HG2      THR  23   0.533   5.908   3.562
  132   3HG2  THR  23          3HG2      THR  23   1.379   5.059   2.267
  133    H    ARG  24           H        ARG  24   5.132   3.387   3.784
  134    HA   ARG  24           HA       ARG  24   5.172   1.615   6.132
  135   1HB   ARG  24          2HB       ARG  24   6.234   0.663   4.090
  136   2HB   ARG  24          1HB       ARG  24   7.337   2.033   4.054
  137   1HG   ARG  24          2HG       ARG  24   8.234   1.352   6.235
  138   2HG   ARG  24          1HG       ARG  24   7.149  -0.041   6.231
  139   1HD   ARG  24          2HD       ARG  24   9.214   0.512   4.109
  140   2HD   ARG  24          1HD       ARG  24   9.478  -0.548   5.491
  141    HE   ARG  24           HE       ARG  24   8.012  -1.140   3.102
  142   1HH1  ARG  24          1HH1      ARG  24   8.355  -1.938   6.494
  143   2HH1  ARG  24          2HH1      ARG  24   7.609  -3.491   6.334
  144   1HH2  ARG  24          1HH2      ARG  24   7.030  -3.199   2.893
  145   2HH2  ARG  24          2HH2      ARG  24   6.853  -4.215   4.292
  146    H    ASN  25           H        ASN  25   5.419   2.815   7.875
  147    HA   ASN  25           HA       ASN  25   6.155   4.366   9.352
  148   1HB   ASN  25          2HB       ASN  25   8.601   4.458   7.567
  149   2HB   ASN  25          1HB       ASN  25   8.495   5.141   9.185
  150   1HD2  ASN  25          1HD2      ASN  25   9.875   2.764   7.660
  151   2HD2  ASN  25          2HD2      ASN  25   9.803   1.503   8.839
  152    H    GLY  26           H        GLY  26   4.486   5.203   7.215
  153   1HA   GLY  26          2HA       GLY  26   3.560   7.329   6.840
  154   2HA   GLY  26          1HA       GLY  26   5.093   8.054   7.296
  155    H    LEU  27           H        LEU  27   6.311   5.947   5.320
  156    HA   LEU  27           HA       LEU  27   6.175   7.756   3.039
  157   1HB   LEU  27          2HB       LEU  27   8.364   6.941   3.838
  158   2HB   LEU  27          1HB       LEU  27   7.869   5.295   3.497
  159    HG   LEU  27           HG       LEU  27   7.681   5.912   1.083
  160   1HD1  LEU  27          1HD1      LEU  27   7.476   8.410   1.682
  161   2HD1  LEU  27          2HD1      LEU  27   8.394   7.955   0.247
  162   3HD1  LEU  27          3HD1      LEU  27   9.239   8.383   1.735
  163   1HD2  LEU  27          1HD2      LEU  27  10.135   5.763   2.675
  164   2HD2  LEU  27          2HD2      LEU  27  10.346   6.450   1.064
  165   3HD2  LEU  27          3HD2      LEU  27   9.644   4.845   1.253
  166    HA   PRO  28           HA       PRO  28   2.989   5.191   1.253
  167   1HB   PRO  28          2HB       PRO  28   3.635   6.595  -1.230
  168   2HB   PRO  28          1HB       PRO  28   2.106   6.496  -0.363
  169   1HG   PRO  28          2HG       PRO  28   3.608   8.752  -0.410
  170   2HG   PRO  28          1HG       PRO  28   2.572   8.309   0.958
  171   1HD   PRO  28          2HD       PRO  28   5.530   8.157   0.692
  172   2HD   PRO  28          1HD       PRO  28   4.536   8.448   2.132
  173    H    VAL  29           H        VAL  29   3.001   3.348   0.216
  174    HA   VAL  29           HA       VAL  29   5.496   2.474  -1.032
  175    HB   VAL  29           HB       VAL  29   3.114   0.785  -0.185
  176   1HG1  VAL  29          1HG1      VAL  29   5.854  -0.316  -0.544
  177   2HG1  VAL  29          2HG1      VAL  29   4.936   0.073  -1.999
  178   3HG1  VAL  29          3HG1      VAL  29   4.285  -1.069  -0.825
  179   1HG2  VAL  29          1HG2      VAL  29   3.861   0.886   1.900
  180   2HG2  VAL  29          2HG2      VAL  29   5.103   2.036   1.404
  181   3HG2  VAL  29          3HG2      VAL  29   5.443   0.306   1.379
  Start of MODEL   13
    1    H    ALA   1           H        ALA   1   5.232   2.720  -3.229
    2    HA   ALA   1           HA       ALA   1   2.964   3.432  -4.734
    3   1HB   ALA   1          1HB       ALA   1   4.713   2.590  -6.626
    4   2HB   ALA   1          2HB       ALA   1   5.798   2.891  -5.269
    5   3HB   ALA   1          3HB       ALA   1   4.751   4.180  -5.865
    6    H    GLY   2           H        GLY   2   1.455   2.263  -5.712
    7   1HA   GLY   2          2HA       GLY   2   0.525   0.472  -6.880
    8   2HA   GLY   2          1HA       GLY   2   1.967  -0.470  -6.538
    9    H    GLU   3           H        GLU   3   1.860   0.083  -3.673
   10    HA   GLU   3           HA       GLU   3   0.174  -2.092  -2.930
   11   1HB   GLU   3          2HB       GLU   3   2.390  -1.422  -1.863
   12   2HB   GLU   3          1HB       GLU   3   1.501  -0.144  -1.055
   13   1HG   GLU   3          2HG       GLU   3   1.716  -1.974   0.442
   14   2HG   GLU   3          1HG       GLU   3   0.031  -1.864  -0.061
   15    H    THR   4           H        THR   4  -1.938  -1.929  -2.732
   16    HA   THR   4           HA       THR   4  -3.051   0.582  -1.713
   17    HB   THR   4           HB       THR   4  -5.217  -0.207  -2.754
   18    HG1  THR   4           HG1      THR   4  -3.453  -1.915  -4.214
   19   1HG2  THR   4          1HG2      THR   4  -2.854   0.916  -4.051
   20   2HG2  THR   4          2HG2      THR   4  -4.534   1.451  -4.100
   21   3HG2  THR   4          3HG2      THR   4  -3.983   0.177  -5.187
   22    H    CYS   5           H        CYS   5  -4.819   0.465  -0.257
   23    HA   CYS   5           HA       CYS   5  -4.905  -2.088   1.214
   24   1HB   CYS   5          2HB       CYS   5  -3.776  -0.171   2.413
   25   2HB   CYS   5          1HB       CYS   5  -5.328   0.660   2.409
   26    H    VAL   6           H        VAL   6  -6.586  -1.538  -0.936
   27    HA   VAL   6           HA       VAL   6  -9.083  -0.466  -0.178
   28    HB   VAL   6           HB       VAL   6  -8.634  -2.608  -2.259
   29   1HG1  VAL   6          1HG1      VAL   6 -10.722  -2.222  -3.015
   30   2HG1  VAL   6          2HG1      VAL   6 -10.655  -0.501  -2.637
   31   3HG1  VAL   6          3HG1      VAL   6 -10.992  -1.670  -1.361
   32   1HG2  VAL   6          1HG2      VAL   6  -7.110  -0.686  -2.574
   33   2HG2  VAL   6          2HG2      VAL   6  -8.512   0.382  -2.629
   34   3HG2  VAL   6          3HG2      VAL   6  -8.292  -0.847  -3.874
   35    H    GLY   7           H        GLY   7  -7.733  -3.711  -0.035
   36   1HA   GLY   7          2HA       GLY   7 -10.177  -4.827   1.081
   37   2HA   GLY   7          1HA       GLY   7  -8.693  -5.688   0.729
   38    H    GLY   8           H        GLY   8  -8.130  -2.867   2.395
   39   1HA   GLY   8          2HA       GLY   8  -7.620  -2.353   4.584
   40   2HA   GLY   8          1HA       GLY   8  -8.601  -3.724   5.061
   41    H    THR   9           H        THR   9  -6.107  -4.364   2.848
   42    HA   THR   9           HA       THR   9  -4.130  -5.027   4.860
   43    HB   THR   9           HB       THR   9  -4.021  -7.378   3.587
   44    HG1  THR   9           HG1      THR   9  -6.794  -6.691   3.612
   45   1HG2  THR   9          1HG2      THR   9  -5.218  -6.447   6.083
   46   2HG2  THR   9          2HG2      THR   9  -4.149  -7.818   5.782
   47   3HG2  THR   9          3HG2      THR   9  -5.885  -7.979   5.519
   48    H    CYS  10           H        CYS  10  -2.048  -5.296   4.008
   49    HA   CYS  10           HA       CYS  10  -1.772  -4.626   1.150
   50   1HB   CYS  10          2HB       CYS  10   0.412  -4.127   3.128
   51   2HB   CYS  10          1HB       CYS  10   0.128  -3.358   1.582
   52    H    ASN  11           H        ASN  11   0.104  -5.453   0.102
   53    HA   ASN  11           HA       ASN  11   0.615  -8.223   0.794
   54   1HB   ASN  11          2HB       ASN  11   0.242  -7.698  -1.540
   55   2HB   ASN  11          1HB       ASN  11   1.513  -6.481  -1.516
   56   1HD2  ASN  11          1HD2      ASN  11   3.380  -7.078  -2.310
   57   2HD2  ASN  11          2HD2      ASN  11   3.963  -8.699  -2.441
   58    H    THR  12           H        THR  12   2.307  -5.158   0.650
   59    HA   THR  12           HA       THR  12   4.917  -6.110   1.156
   60    HB   THR  12           HB       THR  12   3.699  -3.404   1.762
   61    HG1  THR  12           HG1      THR  12   3.683  -3.928  -0.466
   62   1HG2  THR  12          1HG2      THR  12   5.859  -2.533   2.057
   63   2HG2  THR  12          2HG2      THR  12   6.627  -3.975   1.393
   64   3HG2  THR  12          3HG2      THR  12   5.867  -4.033   2.984
   65    HA   PRO  13           HA       PRO  13   4.411  -7.362   5.398
   66   1HB   PRO  13          2HB       PRO  13   7.352  -7.303   5.455
   67   2HB   PRO  13          1HB       PRO  13   6.252  -8.656   5.725
   68   1HG   PRO  13          2HG       PRO  13   7.747  -8.451   3.504
   69   2HG   PRO  13          1HG       PRO  13   6.132  -9.179   3.489
   70   1HD   PRO  13          2HD       PRO  13   7.003  -6.466   2.582
   71   2HD   PRO  13          1HD       PRO  13   5.799  -7.561   1.875
   72    H    GLY  14           H        GLY  14   4.175  -6.193   7.162
   73   1HA   GLY  14          2HA       GLY  14   4.458  -4.574   8.768
   74   2HA   GLY  14          1HA       GLY  14   6.055  -4.277   8.098
   75    H    ALA  15           H        ALA  15   3.177  -4.043   6.137
   76    HA   ALA  15           HA       ALA  15   3.724  -1.201   5.775
   77   1HB   ALA  15          1HB       ALA  15   3.149  -3.136   3.955
   78   2HB   ALA  15          2HB       ALA  15   2.931  -1.406   3.685
   79   3HB   ALA  15          3HB       ALA  15   1.565  -2.399   4.193
   80    H    THR  16           H        THR  16   2.364   0.378   6.355
   81    HA   THR  16           HA       THR  16   0.152  -0.313   8.110
   82    HB   THR  16           HB       THR  16   0.878   2.506   7.450
   83    HG1  THR  16           HG1      THR  16   2.578   0.611   8.530
   84   1HG2  THR  16          1HG2      THR  16   0.337   2.875   9.785
   85   2HG2  THR  16          2HG2      THR  16   0.196   1.137  10.053
   86   3HG2  THR  16          3HG2      THR  16  -0.963   1.966   9.013
   87    H    CYS  17           H        CYS  17  -1.961   0.398   7.746
   88    HA   CYS  17           HA       CYS  17  -2.672   0.587   4.962
   89   1HB   CYS  17          2HB       CYS  17  -3.957  -0.825   6.552
   90   2HB   CYS  17          1HB       CYS  17  -4.479   0.636   7.384
   91    H    SER  18           H        SER  18  -3.382   2.295   3.885
   92    HA   SER  18           HA       SER  18  -4.097   4.757   5.266
   93   1HB   SER  18          2HB       SER  18  -1.992   4.617   3.092
   94   2HB   SER  18          1HB       SER  18  -2.597   6.093   3.844
   95    HG   SER  18           HG       SER  18  -1.845   4.593   5.830
   96    H    TRP  19           H        TRP  19  -5.961   3.333   4.398
   97    HA   TRP  19           HA       TRP  19  -6.772   2.811   1.962
   98   1HB   TRP  19          2HB       TRP  19  -8.115   3.000   4.252
   99   2HB   TRP  19          1HB       TRP  19  -8.764   4.435   3.459
  100    HD1  TRP  19           HD1      TRP  19  -8.764   0.634   3.241
  101    HE1  TRP  19           HE1      TRP  19 -10.572  -0.123   1.575
  102    HE3  TRP  19           HE3      TRP  19 -10.088   5.196   1.360
  103    HZ2  TRP  19           HZ2      TRP  19 -12.324   1.054  -0.289
  104    HZ3  TRP  19           HZ3      TRP  19 -11.844   5.296  -0.363
  105    HH2  TRP  19           HH2      TRP  19 -12.938   3.266  -1.170
  106    HA   PRO  20           HA       PRO  20  -7.585   2.593   0.436
  107   1HB   PRO  20          2HB       PRO  20  -7.689   2.744  -2.193
  108   2HB   PRO  20          1HB       PRO  20  -8.987   3.414  -1.203
  109   1HG   PRO  20          2HG       PRO  20  -6.784   4.829  -2.633
  110   2HG   PRO  20          1HG       PRO  20  -8.472   5.319  -2.410
  111   1HD   PRO  20          2HD       PRO  20  -6.264   6.158  -0.868
  112   2HD   PRO  20          1HD       PRO  20  -7.977   6.398  -0.475
  113    H    VAL  21           H        VAL  21  -4.821   3.998   0.742
  114    HA   VAL  21           HA       VAL  21  -3.398   2.063  -0.975
  115    HB   VAL  21           HB       VAL  21  -1.442   3.630  -0.972
  116   1HG1  VAL  21          1HG1      VAL  21  -3.679   3.524  -2.623
  117   2HG1  VAL  21          2HG1      VAL  21  -2.099   4.200  -3.021
  118   3HG1  VAL  21          3HG1      VAL  21  -3.373   5.244  -2.391
  119   1HG2  VAL  21          1HG2      VAL  21  -1.471   5.567   0.114
  120   2HG2  VAL  21          2HG2      VAL  21  -3.006   5.077   0.831
  121   3HG2  VAL  21          3HG2      VAL  21  -2.991   6.036  -0.648
  122    H    CYS  22           H        CYS  22  -0.908   2.123  -0.101
  123    HA   CYS  22           HA       CYS  22  -1.096   1.589   2.791
  124   1HB   CYS  22          2HB       CYS  22   0.230  -0.049   0.636
  125   2HB   CYS  22          1HB       CYS  22   0.587  -0.262   2.346
  126    H    THR  23           H        THR  23   0.706   2.012   4.041
  127    HA   THR  23           HA       THR  23   2.903   3.444   2.708
  128    HB   THR  23           HB       THR  23   3.023   4.868   4.821
  129    HG1  THR  23           HG1      THR  23   0.297   4.515   5.223
  130   1HG2  THR  23          1HG2      THR  23   0.849   5.067   2.770
  131   2HG2  THR  23          2HG2      THR  23   2.304   6.047   2.958
  132   3HG2  THR  23          3HG2      THR  23   0.950   6.257   4.068
  133    H    ARG  24           H        ARG  24   4.848   3.589   4.163
  134    HA   ARG  24           HA       ARG  24   5.070   1.520   6.178
  135   1HB   ARG  24          2HB       ARG  24   5.521   0.239   4.178
  136   2HB   ARG  24          1HB       ARG  24   6.630   1.468   3.588
  137   1HG   ARG  24          2HG       ARG  24   8.125   0.973   5.495
  138   2HG   ARG  24          1HG       ARG  24   7.035  -0.333   5.965
  139   1HD   ARG  24          2HD       ARG  24   9.025  -1.043   4.604
  140   2HD   ARG  24          1HD       ARG  24   7.459  -1.528   3.957
  141    HE   ARG  24           HE       ARG  24   7.954  -0.345   2.086
  142   1HH1  ARG  24          1HH1      ARG  24   9.878   0.995   4.693
  143   2HH1  ARG  24          2HH1      ARG  24  10.627   2.196   3.696
  144   1HH2  ARG  24          1HH2      ARG  24   8.951   1.236   0.767
  145   2HH2  ARG  24          2HH2      ARG  24  10.104   2.328   1.457
  146    H    ASN  25           H        ASN  25   6.105   2.440   7.787
  147    HA   ASN  25           HA       ASN  25   7.421   3.814   9.021
  148   1HB   ASN  25          2HB       ASN  25   9.134   2.471   7.546
  149   2HB   ASN  25          1HB       ASN  25   9.385   4.026   6.761
  150   1HD2  ASN  25          1HD2      ASN  25  10.614   2.070   9.015
  151   2HD2  ASN  25          2HD2      ASN  25  11.351   3.223  10.066
  152    H    GLY  26           H        GLY  26   5.372   5.042   7.645
  153   1HA   GLY  26          2HA       GLY  26   4.606   7.186   7.318
  154   2HA   GLY  26          1HA       GLY  26   6.212   7.767   7.718
  155    H    LEU  27           H        LEU  27   6.251   5.485   5.204
  156    HA   LEU  27           HA       LEU  27   6.277   7.648   3.197
  157   1HB   LEU  27          2HB       LEU  27   8.018   5.176   3.293
  158   2HB   LEU  27          1HB       LEU  27   7.996   6.342   1.985
  159    HG   LEU  27           HG       LEU  27   8.836   6.949   4.822
  160   1HD1  LEU  27          1HD1      LEU  27  10.284   5.403   3.312
  161   2HD1  LEU  27          2HD1      LEU  27  11.040   6.733   4.189
  162   3HD1  LEU  27          3HD1      LEU  27  10.675   6.902   2.471
  163   1HD2  LEU  27          1HD2      LEU  27   9.626   8.728   2.631
  164   2HD2  LEU  27          2HD2      LEU  27   9.033   9.109   4.247
  165   3HD2  LEU  27          3HD2      LEU  27   7.894   8.703   2.963
  166    HA   PRO  28           HA       PRO  28   2.989   5.224   1.457
  167   1HB   PRO  28          2HB       PRO  28   3.509   6.658  -1.036
  168   2HB   PRO  28          1HB       PRO  28   2.056   6.635  -0.040
  169   1HG   PRO  28          2HG       PRO  28   3.680   8.798  -0.191
  170   2HG   PRO  28          1HG       PRO  28   2.751   8.392   1.261
  171   1HD   PRO  28          2HD       PRO  28   5.656   8.021   0.702
  172   2HD   PRO  28          1HD       PRO  28   4.839   8.420   2.227
  173    H    VAL  29           H        VAL  29   2.828   3.423   0.287
  174    HA   VAL  29           HA       VAL  29   5.243   2.525  -1.111
  175    HB   VAL  29           HB       VAL  29   2.884   0.848  -0.180
  176   1HG1  VAL  29          1HG1      VAL  29   5.585  -0.272  -0.732
  177   2HG1  VAL  29          2HG1      VAL  29   4.588   0.173  -2.117
  178   3HG1  VAL  29          3HG1      VAL  29   3.992  -1.000  -0.942
  179   1HG2  VAL  29          1HG2      VAL  29   4.387   0.087   1.610
  180   2HG2  VAL  29          2HG2      VAL  29   4.039   1.812   1.729
  181   3HG2  VAL  29          3HG2      VAL  29   5.592   1.265   1.094
  Start of MODEL   14
    1    H    ALA   1           H        ALA   1   5.825   1.864  -2.945
    2    HA   ALA   1           HA       ALA   1   4.078   2.876  -4.877
    3   1HB   ALA   1          1HB       ALA   1   5.740   1.626  -6.459
    4   2HB   ALA   1          2HB       ALA   1   6.649   1.373  -4.969
    5   3HB   ALA   1          3HB       ALA   1   6.278   3.011  -5.510
    6    H    GLY   2           H        GLY   2   2.348   2.046  -5.753
    7   1HA   GLY   2          2HA       GLY   2   0.897   0.568  -6.735
    8   2HA   GLY   2          1HA       GLY   2   2.221  -0.581  -6.815
    9    H    GLU   3           H        GLU   3   1.540   0.613  -3.674
   10    HA   GLU   3           HA       GLU   3   0.231  -1.945  -3.048
   11   1HB   GLU   3          2HB       GLU   3   2.431  -1.385  -1.941
   12   2HB   GLU   3          1HB       GLU   3   1.605  -0.072  -1.123
   13   1HG   GLU   3          2HG       GLU   3   1.701  -1.863   0.392
   14   2HG   GLU   3          1HG       GLU   3   0.037  -1.771  -0.178
   15    H    THR   4           H        THR   4  -1.893  -1.734  -2.946
   16    HA   THR   4           HA       THR   4  -3.014   0.723  -1.794
   17    HB   THR   4           HB       THR   4  -5.158   0.034  -2.840
   18    HG1  THR   4           HG1      THR   4  -3.847  -2.239  -3.242
   19   1HG2  THR   4          1HG2      THR   4  -3.787   0.138  -5.293
   20   2HG2  THR   4          2HG2      THR   4  -2.797   1.035  -4.141
   21   3HG2  THR   4          3HG2      THR   4  -4.484   1.486  -4.392
   22    H    CYS   5           H        CYS   5  -4.725   0.560  -0.296
   23    HA   CYS   5           HA       CYS   5  -4.821  -2.047   1.075
   24   1HB   CYS   5          2HB       CYS   5  -3.665  -0.157   2.324
   25   2HB   CYS   5          1HB       CYS   5  -5.236   0.635   2.407
   26    H    VAL   6           H        VAL   6  -6.531  -1.459  -1.016
   27    HA   VAL   6           HA       VAL   6  -8.995  -0.343  -0.226
   28    HB   VAL   6           HB       VAL   6  -8.606  -2.497  -2.309
   29   1HG1  VAL   6          1HG1      VAL   6 -10.934  -2.095  -1.715
   30   2HG1  VAL   6          2HG1      VAL   6 -10.593  -1.520  -3.347
   31   3HG1  VAL   6          3HG1      VAL   6 -10.722  -0.370  -2.015
   32   1HG2  VAL   6          1HG2      VAL   6  -8.765  -0.082  -3.632
   33   2HG2  VAL   6          2HG2      VAL   6  -7.300  -1.029  -3.371
   34   3HG2  VAL   6          3HG2      VAL   6  -7.721   0.271  -2.255
   35    H    GLY   7           H        GLY   7  -7.729  -3.629  -0.109
   36   1HA   GLY   7          2HA       GLY   7 -10.187  -4.671   1.049
   37   2HA   GLY   7          1HA       GLY   7  -8.741  -5.578   0.658
   38    H    GLY   8           H        GLY   8  -8.084  -2.780   2.351
   39   1HA   GLY   8          2HA       GLY   8  -7.489  -2.315   4.530
   40   2HA   GLY   8          1HA       GLY   8  -8.519  -3.648   5.014
   41    H    THR   9           H        THR   9  -6.045  -4.276   2.754
   42    HA   THR   9           HA       THR   9  -4.105  -5.111   4.737
   43    HB   THR   9           HB       THR   9  -4.058  -7.387   3.325
   44    HG1  THR   9           HG1      THR   9  -6.816  -6.644   3.409
   45   1HG2  THR   9          1HG2      THR   9  -5.841  -8.161   5.189
   46   2HG2  THR   9          2HG2      THR   9  -5.381  -6.589   5.843
   47   3HG2  THR   9          3HG2      THR   9  -4.149  -7.815   5.548
   48    H    CYS  10           H        CYS  10  -2.027  -5.396   3.883
   49    HA   CYS  10           HA       CYS  10  -1.710  -4.613   1.058
   50   1HB   CYS  10          2HB       CYS  10   0.426  -4.170   3.109
   51   2HB   CYS  10          1HB       CYS  10   0.221  -3.393   1.556
   52    H    ASN  11           H        ASN  11   0.196  -5.401   0.028
   53    HA   ASN  11           HA       ASN  11   0.688  -8.195   0.638
   54   1HB   ASN  11          2HB       ASN  11   0.366  -7.587  -1.688
   55   2HB   ASN  11          1HB       ASN  11   1.644  -6.382  -1.594
   56   1HD2  ASN  11          1HD2      ASN  11   3.509  -6.967  -2.397
   57   2HD2  ASN  11          2HD2      ASN  11   4.090  -8.587  -2.557
   58    H    THR  12           H        THR  12   2.371  -5.126   0.640
   59    HA   THR  12           HA       THR  12   4.971  -6.093   1.182
   60    HB   THR  12           HB       THR  12   3.744  -3.404   1.836
   61    HG1  THR  12           HG1      THR  12   3.738  -3.874  -0.407
   62   1HG2  THR  12          1HG2      THR  12   6.348  -2.869   1.472
   63   2HG2  THR  12          2HG2      THR  12   6.482  -4.493   2.148
   64   3HG2  THR  12          3HG2      THR  12   5.656  -3.225   3.056
   65    HA   PRO  13           HA       PRO  13   4.332  -7.398   5.393
   66   1HB   PRO  13          2HB       PRO  13   6.972  -7.729   6.019
   67   2HB   PRO  13          1HB       PRO  13   6.018  -8.913   5.119
   68   1HG   PRO  13          2HG       PRO  13   7.934  -6.857   4.104
   69   2HG   PRO  13          1HG       PRO  13   7.699  -8.533   3.582
   70   1HD   PRO  13          2HD       PRO  13   6.696  -6.437   2.203
   71   2HD   PRO  13          1HD       PRO  13   5.872  -8.008   2.276
   72    H    GLY  14           H        GLY  14   4.049  -6.259   7.155
   73   1HA   GLY  14          2HA       GLY  14   4.296  -4.676   8.801
   74   2HA   GLY  14          1HA       GLY  14   5.933  -4.421   8.219
   75    H    ALA  15           H        ALA  15   3.013  -4.023   6.289
   76    HA   ALA  15           HA       ALA  15   3.720  -1.197   5.959
   77   1HB   ALA  15          1HB       ALA  15   3.369  -2.874   3.994
   78   2HB   ALA  15          2HB       ALA  15   2.720  -1.238   3.877
   79   3HB   ALA  15          3HB       ALA  15   1.656  -2.582   4.297
   80    H    THR  16           H        THR  16   2.337   0.415   6.526
   81    HA   THR  16           HA       THR  16   0.091  -0.324   8.215
   82    HB   THR  16           HB       THR  16   0.779   2.514   7.619
   83    HG1  THR  16           HG1      THR  16   2.388   0.659   9.036
   84   1HG2  THR  16          1HG2      THR  16  -1.067   1.987   9.135
   85   2HG2  THR  16          2HG2      THR  16   0.245   2.793   9.996
   86   3HG2  THR  16          3HG2      THR  16   0.028   1.049  10.150
   87    H    CYS  17           H        CYS  17  -2.015   0.320   7.818
   88    HA   CYS  17           HA       CYS  17  -2.660   0.619   5.021
   89   1HB   CYS  17          2HB       CYS  17  -3.874  -0.990   6.467
   90   2HB   CYS  17          1HB       CYS  17  -4.527   0.366   7.381
   91    H    SER  18           H        SER  18  -3.310   2.354   4.043
   92    HA   SER  18           HA       SER  18  -4.314   4.656   5.527
   93   1HB   SER  18          2HB       SER  18  -2.080   4.724   3.480
   94   2HB   SER  18          1HB       SER  18  -2.915   6.157   4.079
   95    HG   SER  18           HG       SER  18  -0.824   4.998   5.146
   96    H    TRP  19           H        TRP  19  -6.077   3.225   4.594
   97    HA   TRP  19           HA       TRP  19  -6.822   2.689   2.138
   98   1HB   TRP  19          2HB       TRP  19  -8.209   2.767   4.385
   99   2HB   TRP  19          1HB       TRP  19  -8.872   4.230   3.662
  100    HD1  TRP  19           HD1      TRP  19  -8.860   0.446   3.292
  101    HE1  TRP  19           HE1      TRP  19 -10.650  -0.249   1.579
  102    HE3  TRP  19           HE3      TRP  19 -10.156   5.072   1.562
  103    HZ2  TRP  19           HZ2      TRP  19 -12.384   0.999  -0.260
  104    HZ3  TRP  19           HZ3      TRP  19 -11.893   5.239  -0.176
  105    HH2  TRP  19           HH2      TRP  19 -12.983   3.243  -1.067
  106    HA   PRO  20           HA       PRO  20  -7.525   2.458   0.574
  107   1HB   PRO  20          2HB       PRO  20  -7.662   2.672  -2.051
  108   2HB   PRO  20          1HB       PRO  20  -8.992   3.223  -1.031
  109   1HG   PRO  20          2HG       PRO  20  -6.944   4.818  -2.481
  110   2HG   PRO  20          1HG       PRO  20  -8.639   5.206  -2.147
  111   1HD   PRO  20          2HD       PRO  20  -6.359   6.063  -0.682
  112   2HD   PRO  20          1HD       PRO  20  -8.063   6.303  -0.251
  113    H    VAL  21           H        VAL  21  -4.866   3.909   0.992
  114    HA   VAL  21           HA       VAL  21  -3.320   2.190  -0.852
  115    HB   VAL  21           HB       VAL  21  -1.474   3.889  -0.757
  116   1HG1  VAL  21          1HG1      VAL  21  -3.807   5.209  -2.042
  117   2HG1  VAL  21          2HG1      VAL  21  -3.373   3.582  -2.565
  118   3HG1  VAL  21          3HG1      VAL  21  -2.195   4.890  -2.682
  119   1HG2  VAL  21          1HG2      VAL  21  -2.474   5.100   1.229
  120   2HG2  VAL  21          2HG2      VAL  21  -3.603   5.833   0.089
  121   3HG2  VAL  21          3HG2      VAL  21  -1.870   6.111  -0.084
  122    H    CYS  22           H        CYS  22  -0.912   2.104  -0.026
  123    HA   CYS  22           HA       CYS  22  -1.036   1.525   2.863
  124   1HB   CYS  22          2HB       CYS  22   0.359   0.021   0.649
  125   2HB   CYS  22          1HB       CYS  22   0.663  -0.271   2.359
  126    H    THR  23           H        THR  23   0.655   2.111   4.137
  127    HA   THR  23           HA       THR  23   2.905   3.497   2.845
  128    HB   THR  23           HB       THR  23   2.816   5.110   4.837
  129    HG1  THR  23           HG1      THR  23   1.135   3.704   5.878
  130   1HG2  THR  23          1HG2      THR  23   1.197   5.081   2.398
  131   2HG2  THR  23          2HG2      THR  23   2.216   6.357   3.067
  132   3HG2  THR  23          3HG2      THR  23   0.566   6.149   3.654
  133    H    ARG  24           H        ARG  24   4.880   3.249   3.834
  134    HA   ARG  24           HA       ARG  24   4.950   1.699   6.333
  135   1HB   ARG  24          2HB       ARG  24   5.387   0.134   4.517
  136   2HB   ARG  24          1HB       ARG  24   6.607   1.206   3.847
  137   1HG   ARG  24          2HG       ARG  24   8.032   0.844   5.766
  138   2HG   ARG  24          1HG       ARG  24   6.786  -0.145   6.533
  139   1HD   ARG  24          2HD       ARG  24   6.983  -1.830   4.860
  140   2HD   ARG  24          1HD       ARG  24   8.001  -0.800   3.857
  141    HE   ARG  24           HE       ARG  24   9.796  -1.538   5.030
  142   1HH1  ARG  24          1HH1      ARG  24   6.956  -2.078   7.020
  143   2HH1  ARG  24          2HH1      ARG  24   7.846  -2.848   8.291
  144   1HH2  ARG  24          1HH2      ARG  24  10.959  -2.563   6.708
  145   2HH2  ARG  24          2HH2      ARG  24  10.121  -3.128   8.113
  146    H    ASN  25           H        ASN  25   6.199   2.606   7.820
  147    HA   ASN  25           HA       ASN  25   7.596   4.053   8.873
  148   1HB   ASN  25          2HB       ASN  25   9.249   2.687   7.476
  149   2HB   ASN  25          1HB       ASN  25   9.281   4.052   6.367
  150   1HD2  ASN  25          1HD2      ASN  25  10.883   5.411   6.691
  151   2HD2  ASN  25          2HD2      ASN  25  11.669   5.722   8.195
  152    H    GLY  26           H        GLY  26   5.397   5.152   7.492
  153   1HA   GLY  26          2HA       GLY  26   4.549   7.251   7.093
  154   2HA   GLY  26          1HA       GLY  26   6.133   7.903   7.479
  155    H    LEU  27           H        LEU  27   6.056   5.512   5.014
  156    HA   LEU  27           HA       LEU  27   6.061   7.592   2.936
  157   1HB   LEU  27          2HB       LEU  27   8.375   6.885   3.501
  158   2HB   LEU  27          1HB       LEU  27   7.943   5.234   3.102
  159    HG   LEU  27           HG       LEU  27   7.454   6.022   0.761
  160   1HD1  LEU  27          1HD1      LEU  27   8.619   8.165   0.133
  161   2HD1  LEU  27          2HD1      LEU  27   8.678   8.542   1.855
  162   3HD1  LEU  27          3HD1      LEU  27   7.123   8.346   1.048
  163   1HD2  LEU  27          1HD2      LEU  27   9.595   5.598   0.116
  164   2HD2  LEU  27          2HD2      LEU  27   9.700   5.077   1.798
  165   3HD2  LEU  27          3HD2      LEU  27  10.293   6.671   1.329
  166    HA   PRO  28           HA       PRO  28   2.943   4.894   1.283
  167   1HB   PRO  28          2HB       PRO  28   3.460   6.187  -1.290
  168   2HB   PRO  28          1HB       PRO  28   1.977   6.136  -0.341
  169   1HG   PRO  28          2HG       PRO  28   3.471   8.382  -0.585
  170   2HG   PRO  28          1HG       PRO  28   2.515   8.015   0.860
  171   1HD   PRO  28          2HD       PRO  28   5.454   7.811   0.427
  172   2HD   PRO  28          1HD       PRO  28   4.553   8.226   1.899
  173    H    VAL  29           H        VAL  29   2.938   3.006   0.262
  174    HA   VAL  29           HA       VAL  29   5.464   2.085  -0.852
  175    HB   VAL  29           HB       VAL  29   2.951   0.479  -0.286
  176   1HG1  VAL  29          1HG1      VAL  29   5.650  -0.746  -0.364
  177   2HG1  VAL  29          2HG1      VAL  29   4.957  -0.254  -1.909
  178   3HG1  VAL  29          3HG1      VAL  29   4.094  -1.395  -0.879
  179   1HG2  VAL  29          1HG2      VAL  29   4.895   1.590   1.500
  180   2HG2  VAL  29          2HG2      VAL  29   5.012  -0.171   1.516
  181   3HG2  VAL  29          3HG2      VAL  29   3.471   0.615   1.866
  Start of MODEL   15
    1    H    ALA   1           H        ALA   1   5.002   2.961  -3.396
    2    HA   ALA   1           HA       ALA   1   2.611   3.486  -4.802
    3   1HB   ALA   1          1HB       ALA   1   4.133   4.361  -6.157
    4   2HB   ALA   1          2HB       ALA   1   4.532   2.726  -6.683
    5   3HB   ALA   1          3HB       ALA   1   5.430   3.470  -5.359
    6    H    GLY   2           H        GLY   2   1.209   2.191  -5.783
    7   1HA   GLY   2          2HA       GLY   2   0.546   0.320  -7.060
    8   2HA   GLY   2          1HA       GLY   2   1.990  -0.525  -6.522
    9    H    GLU   3           H        GLU   3   1.685  -0.001  -3.750
   10    HA   GLU   3           HA       GLU   3  -0.096  -2.125  -3.083
   11   1HB   GLU   3          2HB       GLU   3   1.514  -0.219  -1.390
   12   2HB   GLU   3          1HB       GLU   3   0.524  -1.509  -0.719
   13   1HG   GLU   3          2HG       GLU   3   2.543  -2.134  -2.786
   14   2HG   GLU   3          1HG       GLU   3   3.061  -1.865  -1.127
   15    H    THR   4           H        THR   4  -2.184  -1.975  -2.802
   16    HA   THR   4           HA       THR   4  -3.276   0.592  -1.907
   17    HB   THR   4           HB       THR   4  -5.457  -0.217  -2.860
   18    HG1  THR   4           HG1      THR   4  -3.834  -1.977  -4.402
   19   1HG2  THR   4          1HG2      THR   4  -4.372   0.044  -5.345
   20   2HG2  THR   4          2HG2      THR   4  -3.094   0.724  -4.337
   21   3HG2  THR   4          3HG2      THR   4  -4.725   1.391  -4.262
   22    H    CYS   5           H        CYS   5  -4.881   0.561  -0.344
   23    HA   CYS   5           HA       CYS   5  -5.038  -1.971   1.152
   24   1HB   CYS   5          2HB       CYS   5  -3.709  -0.075   2.235
   25   2HB   CYS   5          1HB       CYS   5  -5.245   0.771   2.405
   26    H    VAL   6           H        VAL   6  -6.799  -1.349  -0.884
   27    HA   VAL   6           HA       VAL   6  -9.169  -0.089  -0.005
   28    HB   VAL   6           HB       VAL   6  -8.963  -2.268  -2.089
   29   1HG1  VAL   6          1HG1      VAL   6 -10.866  -0.284  -2.745
   30   2HG1  VAL   6          2HG1      VAL   6 -11.157  -0.766  -1.074
   31   3HG1  VAL   6          3HG1      VAL   6 -11.146  -1.981  -2.353
   32   1HG2  VAL   6          1HG2      VAL   6  -9.089   0.377  -3.183
   33   2HG2  VAL   6          2HG2      VAL   6  -7.878  -0.878  -3.440
   34   3HG2  VAL   6          3HG2      VAL   6  -7.711   0.246  -2.091
   35    H    GLY   7           H        GLY   7  -8.074  -3.439   0.047
   36   1HA   GLY   7          2HA       GLY   7 -10.507  -4.299   1.410
   37   2HA   GLY   7          1HA       GLY   7  -9.213  -5.332   0.833
   38    H    GLY   8           H        GLY   8  -7.927  -2.752   2.397
   39   1HA   GLY   8          2HA       GLY   8  -7.068  -2.370   4.506
   40   2HA   GLY   8          1HA       GLY   8  -8.184  -3.578   5.109
   41    H    THR   9           H        THR   9  -5.936  -4.273   2.586
   42    HA   THR   9           HA       THR   9  -4.079  -5.589   4.410
   43    HB   THR   9           HB       THR   9  -4.116  -7.646   2.925
   44    HG1  THR   9           HG1      THR   9  -5.447  -6.487   1.290
   45   1HG2  THR   9          1HG2      THR   9  -6.687  -8.050   3.968
   46   2HG2  THR   9          2HG2      THR   9  -5.908  -6.902   5.057
   47   3HG2  THR   9          3HG2      THR   9  -5.149  -8.459   4.727
   48    H    CYS  10           H        CYS  10  -2.013  -5.759   3.615
   49    HA   CYS  10           HA       CYS  10  -1.534  -4.760   0.882
   50   1HB   CYS  10          2HB       CYS  10   0.367  -4.375   3.190
   51   2HB   CYS  10          1HB       CYS  10   0.445  -3.641   1.602
   52    H    ASN  11           H        ASN  11   0.694  -5.401   0.120
   53    HA   ASN  11           HA       ASN  11   1.067  -8.257   0.667
   54   1HB   ASN  11          2HB       ASN  11   0.828  -7.451  -1.700
   55   2HB   ASN  11          1HB       ASN  11   2.317  -6.537  -1.498
   56   1HD2  ASN  11          1HD2      ASN  11   1.017  -9.363  -2.586
   57   2HD2  ASN  11          2HD2      ASN  11   2.442 -10.336  -2.622
   58    H    THR  12           H        THR  12   2.571  -5.140   0.854
   59    HA   THR  12           HA       THR  12   5.212  -5.931   1.464
   60    HB   THR  12           HB       THR  12   3.829  -3.420   2.426
   61    HG1  THR  12           HG1      THR  12   3.544  -3.674   0.157
   62   1HG2  THR  12          1HG2      THR  12   6.614  -4.369   2.310
   63   2HG2  THR  12          2HG2      THR  12   5.867  -3.169   3.364
   64   3HG2  THR  12          3HG2      THR  12   6.356  -2.725   1.728
   65    HA   PRO  13           HA       PRO  13   4.430  -7.604   5.534
   66   1HB   PRO  13          2HB       PRO  13   7.347  -7.544   5.823
   67   2HB   PRO  13          1HB       PRO  13   6.248  -8.925   5.845
   68   1HG   PRO  13          2HG       PRO  13   7.937  -8.441   3.801
   69   2HG   PRO  13          1HG       PRO  13   6.367  -9.225   3.575
   70   1HD   PRO  13          2HD       PRO  13   7.189  -6.414   2.994
   71   2HD   PRO  13          1HD       PRO  13   6.073  -7.473   2.107
   72    H    GLY  14           H        GLY  14   3.979  -6.514   7.281
   73   1HA   GLY  14          2HA       GLY  14   4.075  -4.998   9.007
   74   2HA   GLY  14          1HA       GLY  14   5.764  -4.739   8.595
   75    H    ALA  15           H        ALA  15   2.995  -4.238   6.469
   76    HA   ALA  15           HA       ALA  15   3.818  -1.452   6.165
   77   1HB   ALA  15          1HB       ALA  15   3.556  -2.077   4.025
   78   2HB   ALA  15          2HB       ALA  15   1.841  -1.798   4.334
   79   3HB   ALA  15          3HB       ALA  15   2.505  -3.429   4.443
   80    H    THR  16           H        THR  16   2.460   0.259   6.484
   81    HA   THR  16           HA       THR  16   0.220  -0.205   8.280
   82    HB   THR  16           HB       THR  16   1.084   2.510   7.369
   83    HG1  THR  16           HG1      THR  16   2.628   0.656   8.719
   84   1HG2  THR  16          1HG2      THR  16  -0.172   1.299   9.796
   85   2HG2  THR  16          2HG2      THR  16  -0.683   2.697   8.850
   86   3HG2  THR  16          3HG2      THR  16   0.701   2.826   9.936
   87    H    CYS  17           H        CYS  17  -1.869   0.645   7.848
   88    HA   CYS  17           HA       CYS  17  -2.495   0.689   5.009
   89   1HB   CYS  17          2HB       CYS  17  -3.786  -0.796   6.505
   90   2HB   CYS  17          1HB       CYS  17  -4.367   0.616   7.380
   91    H    SER  18           H        SER  18  -3.239   2.379   3.923
   92    HA   SER  18           HA       SER  18  -4.083   4.797   5.313
   93   1HB   SER  18          2HB       SER  18  -1.913   4.711   3.202
   94   2HB   SER  18          1HB       SER  18  -2.632   6.185   3.848
   95    HG   SER  18           HG       SER  18  -1.895   4.825   5.940
   96    H    TRP  19           H        TRP  19  -5.933   3.421   4.456
   97    HA   TRP  19           HA       TRP  19  -6.739   2.830   2.034
   98   1HB   TRP  19          2HB       TRP  19  -8.093   3.056   4.274
   99   2HB   TRP  19          1HB       TRP  19  -8.652   4.559   3.547
  100    HD1  TRP  19           HD1      TRP  19  -8.966   0.786   3.243
  101    HE1  TRP  19           HE1      TRP  19 -10.841   0.216   1.576
  102    HE3  TRP  19           HE3      TRP  19  -9.884   5.474   1.436
  103    HZ2  TRP  19           HZ2      TRP  19 -12.494   1.576  -0.259
  104    HZ3  TRP  19           HZ3      TRP  19 -11.633   5.757  -0.275
  105    HH2  TRP  19           HH2      TRP  19 -12.909   3.847  -1.105
  106    HA   PRO  20           HA       PRO  20  -7.405   2.574   0.471
  107   1HB   PRO  20          2HB       PRO  20  -7.589   2.710  -2.151
  108   2HB   PRO  20          1HB       PRO  20  -8.874   3.350  -1.126
  109   1HG   PRO  20          2HG       PRO  20  -6.805   4.807  -2.685
  110   2HG   PRO  20          1HG       PRO  20  -8.466   5.286  -2.300
  111   1HD   PRO  20          2HD       PRO  20  -6.076   6.047  -0.937
  112   2HD   PRO  20          1HD       PRO  20  -7.748   6.431  -0.482
  113    H    VAL  21           H        VAL  21  -4.687   3.874   0.832
  114    HA   VAL  21           HA       VAL  21  -3.236   2.054  -0.986
  115    HB   VAL  21           HB       VAL  21  -1.320   3.707  -0.943
  116   1HG1  VAL  21          1HG1      VAL  21  -3.880   4.073  -2.432
  117   2HG1  VAL  21          2HG1      VAL  21  -2.307   3.529  -3.015
  118   3HG1  VAL  21          3HG1      VAL  21  -2.574   5.236  -2.663
  119   1HG2  VAL  21          1HG2      VAL  21  -3.127   5.131   0.717
  120   2HG2  VAL  21          2HG2      VAL  21  -2.875   6.070  -0.755
  121   3HG2  VAL  21          3HG2      VAL  21  -1.494   5.580   0.225
  122    H    CYS  22           H        CYS  22  -0.916   1.662  -0.239
  123    HA   CYS  22           HA       CYS  22  -1.012   1.219   2.671
  124   1HB   CYS  22          2HB       CYS  22   0.534  -0.143   0.477
  125   2HB   CYS  22          1HB       CYS  22   0.752  -0.497   2.183
  126    H    THR  23           H        THR  23   0.769   1.722   3.973
  127    HA   THR  23           HA       THR  23   2.882   3.331   2.715
  128    HB   THR  23           HB       THR  23   2.824   4.791   4.812
  129    HG1  THR  23           HG1      THR  23   0.158   4.488   5.199
  130   1HG2  THR  23          1HG2      THR  23   2.039   6.163   3.226
  131   2HG2  THR  23          2HG2      THR  23   0.426   5.755   3.812
  132   3HG2  THR  23          3HG2      THR  23   1.120   4.872   2.453
  133    H    ARG  24           H        ARG  24   4.825   3.501   4.038
  134    HA   ARG  24           HA       ARG  24   5.049   1.676   6.276
  135   1HB   ARG  24          2HB       ARG  24   5.511   0.469   3.984
  136   2HB   ARG  24          1HB       ARG  24   7.051   1.314   4.078
  137   1HG   ARG  24          2HG       ARG  24   7.494   0.278   6.242
  138   2HG   ARG  24          1HG       ARG  24   5.945  -0.565   6.155
  139   1HD   ARG  24          2HD       ARG  24   6.784  -1.551   3.968
  140   2HD   ARG  24          1HD       ARG  24   8.372  -0.934   4.420
  141    HE   ARG  24           HE       ARG  24   7.122  -3.278   5.397
  142   1HH1  ARG  24          1HH1      ARG  24   9.142  -0.620   6.492
  143   2HH1  ARG  24          2HH1      ARG  24   9.858  -1.538   7.772
  144   1HH2  ARG  24          1HH2      ARG  24   8.054  -4.472   7.073
  145   2HH2  ARG  24          2HH2      ARG  24   9.242  -3.739   8.106
  146    H    ASN  25           H        ASN  25   6.385   2.502   7.740
  147    HA   ASN  25           HA       ASN  25   7.799   3.926   8.792
  148   1HB   ASN  25          2HB       ASN  25   9.193   3.808   6.111
  149   2HB   ASN  25          1HB       ASN  25   9.859   4.649   7.506
  150   1HD2  ASN  25          1HD2      ASN  25  11.281   3.534   8.598
  151   2HD2  ASN  25          2HD2      ASN  25  11.344   1.815   8.745
  152    H    GLY  26           H        GLY  26   5.453   4.970   7.479
  153   1HA   GLY  26          2HA       GLY  26   4.478   7.054   7.343
  154   2HA   GLY  26          1HA       GLY  26   6.040   7.761   7.729
  155    H    LEU  27           H        LEU  27   6.001   5.576   5.094
  156    HA   LEU  27           HA       LEU  27   5.869   7.812   3.181
  157   1HB   LEU  27          2HB       LEU  27   7.786   5.475   3.148
  158   2HB   LEU  27          1HB       LEU  27   7.622   6.654   1.862
  159    HG   LEU  27           HG       LEU  27   8.529   7.287   4.672
  160   1HD1  LEU  27          1HD1      LEU  27  10.483   7.737   2.625
  161   2HD1  LEU  27          2HD1      LEU  27   9.940   6.060   2.582
  162   3HD1  LEU  27          3HD1      LEU  27  10.592   6.737   4.073
  163   1HD2  LEU  27          1HD2      LEU  27   9.312   9.399   3.377
  164   2HD2  LEU  27          2HD2      LEU  27   7.629   9.269   3.887
  165   3HD2  LEU  27          3HD2      LEU  27   8.071   8.928   2.214
  166    HA   PRO  28           HA       PRO  28   2.739   5.249   1.389
  167   1HB   PRO  28          2HB       PRO  28   3.126   6.741  -1.083
  168   2HB   PRO  28          1HB       PRO  28   1.715   6.664  -0.031
  169   1HG   PRO  28          2HG       PRO  28   3.286   8.875  -0.235
  170   2HG   PRO  28          1HG       PRO  28   2.385   8.454   1.230
  171   1HD   PRO  28          2HD       PRO  28   5.291   8.155   0.639
  172   2HD   PRO  28          1HD       PRO  28   4.480   8.528   2.172
  173    H    VAL  29           H        VAL  29   2.682   3.464   0.206
  174    HA   VAL  29           HA       VAL  29   5.105   2.749  -1.282
  175    HB   VAL  29           HB       VAL  29   2.908   0.891  -0.312
  176   1HG1  VAL  29          1HG1      VAL  29   4.654  -0.843  -0.700
  177   2HG1  VAL  29          2HG1      VAL  29   5.671   0.397  -1.434
  178   3HG1  VAL  29          3HG1      VAL  29   4.129  -0.032  -2.174
  179   1HG2  VAL  29          1HG2      VAL  29   3.952   1.851   1.620
  180   2HG2  VAL  29          2HG2      VAL  29   5.561   1.604   0.939
  181   3HG2  VAL  29          3HG2      VAL  29   4.581   0.216   1.413
  Start of MODEL   16
    1    H    ALA   1           H        ALA   1   5.080   3.046  -3.283
    2    HA   ALA   1           HA       ALA   1   2.660   3.413  -4.710
    3   1HB   ALA   1          1HB       ALA   1   4.941   2.571  -6.319
    4   2HB   ALA   1          2HB       ALA   1   5.310   3.896  -5.215
    5   3HB   ALA   1          3HB       ALA   1   3.996   4.059  -6.380
    6    H    GLY   2           H        GLY   2   1.361   2.004  -5.697
    7   1HA   GLY   2          2HA       GLY   2   0.838   0.033  -6.888
    8   2HA   GLY   2          1HA       GLY   2   2.300  -0.707  -6.253
    9    H    GLU   3           H        GLU   3   1.871  -0.038  -3.530
   10    HA   GLU   3           HA       GLU   3   0.143  -2.197  -2.808
   11   1HB   GLU   3          2HB       GLU   3   1.628  -0.168  -1.143
   12   2HB   GLU   3          1HB       GLU   3   0.690  -1.495  -0.469
   13   1HG   GLU   3          2HG       GLU   3   2.892  -1.944  -2.416
   14   2HG   GLU   3          1HG       GLU   3   3.197  -1.802  -0.689
   15    H    THR   4           H        THR   4  -1.944  -2.107  -2.534
   16    HA   THR   4           HA       THR   4  -3.133   0.463  -1.782
   17    HB   THR   4           HB       THR   4  -5.268  -0.466  -2.766
   18    HG1  THR   4           HG1      THR   4  -3.515  -2.187  -4.207
   19   1HG2  THR   4          1HG2      THR   4  -4.508   1.181  -4.132
   20   2HG2  THR   4          2HG2      THR   4  -4.214  -0.175  -5.221
   21   3HG2  THR   4          3HG2      THR   4  -2.893   0.482  -4.255
   22    H    CYS   5           H        CYS   5  -4.842   0.410  -0.288
   23    HA   CYS   5           HA       CYS   5  -4.947  -2.082   1.277
   24   1HB   CYS   5          2HB       CYS   5  -3.691  -0.160   2.370
   25   2HB   CYS   5          1HB       CYS   5  -5.231   0.692   2.446
   26    H    VAL   6           H        VAL   6  -6.655  -1.487  -0.834
   27    HA   VAL   6           HA       VAL   6  -9.089  -0.307  -0.022
   28    HB   VAL   6           HB       VAL   6  -8.769  -2.469  -2.108
   29   1HG1  VAL   6          1HG1      VAL   6 -10.824  -0.289  -1.770
   30   2HG1  VAL   6          2HG1      VAL   6 -11.077  -2.016  -1.523
   31   3HG1  VAL   6          3HG1      VAL   6 -10.728  -1.399  -3.138
   32   1HG2  VAL   6          1HG2      VAL   6  -7.172  -0.623  -2.470
   33   2HG2  VAL   6          2HG2      VAL   6  -8.521   0.514  -2.476
   34   3HG2  VAL   6          3HG2      VAL   6  -8.398  -0.716  -3.734
   35    H    GLY   7           H        GLY   7  -7.887  -3.619   0.037
   36   1HA   GLY   7          2HA       GLY   7 -10.331  -4.607   1.267
   37   2HA   GLY   7          1HA       GLY   7  -8.931  -5.559   0.810
   38    H    GLY   8           H        GLY   8  -7.934  -2.885   2.421
   39   1HA   GLY   8          2HA       GLY   8  -7.320  -2.411   4.601
   40   2HA   GLY   8          1HA       GLY   8  -8.340  -3.738   5.121
   41    H    THR   9           H        THR   9  -6.007  -4.429   2.733
   42    HA   THR   9           HA       THR   9  -4.004  -5.321   4.652
   43    HB   THR   9           HB       THR   9  -3.887  -7.563   3.467
   44    HG1  THR   9           HG1      THR   9  -5.383  -6.762   1.751
   45   1HG2  THR   9          1HG2      THR   9  -4.895  -7.163   5.756
   46   2HG2  THR   9          2HG2      THR   9  -5.457  -8.605   4.911
   47   3HG2  THR   9          3HG2      THR   9  -6.472  -7.163   4.964
   48    H    CYS  10           H        CYS  10  -1.955  -5.401   3.814
   49    HA   CYS  10           HA       CYS  10  -1.650  -4.526   1.019
   50   1HB   CYS  10          2HB       CYS  10   0.463  -4.347   3.150
   51   2HB   CYS  10          1HB       CYS  10   0.427  -3.538   1.596
   52    H    ASN  11           H        ASN  11   0.345  -5.246  -0.020
   53    HA   ASN  11           HA       ASN  11   0.621  -8.126   0.230
   54   1HB   ASN  11          2HB       ASN  11   0.521  -7.462  -2.013
   55   2HB   ASN  11          1HB       ASN  11   1.510  -6.035  -1.737
   56   1HD2  ASN  11          1HD2      ASN  11   3.558  -6.114  -2.250
   57   2HD2  ASN  11          2HD2      ASN  11   4.449  -7.551  -2.633
   58    H    THR  12           H        THR  12   2.457  -5.191   0.700
   59    HA   THR  12           HA       THR  12   4.927  -6.484   1.358
   60    HB   THR  12           HB       THR  12   3.984  -3.652   1.870
   61    HG1  THR  12           HG1      THR  12   4.263  -4.346  -0.375
   62   1HG2  THR  12          1HG2      THR  12   6.035  -4.834   3.190
   63   2HG2  THR  12          2HG2      THR  12   5.981  -3.118   2.787
   64   3HG2  THR  12          3HG2      THR  12   6.870  -4.239   1.755
   65    HA   PRO  13           HA       PRO  13   3.685  -7.685   5.474
   66   1HB   PRO  13          2HB       PRO  13   6.553  -8.207   5.859
   67   2HB   PRO  13          1HB       PRO  13   5.188  -9.323   5.947
   68   1HG   PRO  13          2HG       PRO  13   6.952  -9.375   3.920
   69   2HG   PRO  13          1HG       PRO  13   5.243  -9.779   3.693
   70   1HD   PRO  13          2HD       PRO  13   6.710  -7.266   3.003
   71   2HD   PRO  13          1HD       PRO  13   5.421  -8.101   2.113
   72    H    GLY  14           H        GLY  14   3.497  -6.535   7.257
   73   1HA   GLY  14          2HA       GLY  14   3.950  -5.067   8.973
   74   2HA   GLY  14          1HA       GLY  14   5.607  -4.985   8.400
   75    H    ALA  15           H        ALA  15   2.980  -4.261   6.246
   76    HA   ALA  15           HA       ALA  15   3.922  -1.506   6.077
   77   1HB   ALA  15          1HB       ALA  15   2.244  -1.477   4.119
   78   2HB   ALA  15          2HB       ALA  15   2.212  -3.230   4.317
   79   3HB   ALA  15          3HB       ALA  15   3.728  -2.413   3.941
   80    H    THR  16           H        THR  16   2.568   0.274   6.334
   81    HA   THR  16           HA       THR  16   0.353  -0.150   8.168
   82    HB   THR  16           HB       THR  16   1.197   2.550   7.200
   83    HG1  THR  16           HG1      THR  16   2.747   0.718   8.629
   84   1HG2  THR  16          1HG2      THR  16   0.769   3.104   9.599
   85   2HG2  THR  16          2HG2      THR  16   0.267   1.431   9.844
   86   3HG2  THR  16          3HG2      THR  16  -0.643   2.473   8.748
   87    H    CYS  17           H        CYS  17  -1.734   0.660   7.781
   88    HA   CYS  17           HA       CYS  17  -2.453   0.680   4.967
   89   1HB   CYS  17          2HB       CYS  17  -3.699  -0.778   6.521
   90   2HB   CYS  17          1HB       CYS  17  -4.234   0.645   7.409
   91    H    SER  18           H        SER  18  -3.271   2.345   3.887
   92    HA   SER  18           HA       SER  18  -4.081   4.783   5.249
   93   1HB   SER  18          2HB       SER  18  -1.930   4.705   3.116
   94   2HB   SER  18          1HB       SER  18  -2.635   6.171   3.795
   95    HG   SER  18           HG       SER  18  -1.861   4.769   5.852
   96    H    TRP  19           H        TRP  19  -5.919   3.368   4.402
   97    HA   TRP  19           HA       TRP  19  -6.722   2.747   1.991
   98   1HB   TRP  19          2HB       TRP  19  -8.079   3.006   4.237
   99   2HB   TRP  19          1HB       TRP  19  -8.671   4.469   3.455
  100    HD1  TRP  19           HD1      TRP  19  -8.875   0.678   3.262
  101    HE1  TRP  19           HE1      TRP  19 -10.725   0.006   1.609
  102    HE3  TRP  19           HE3      TRP  19  -9.934   5.285   1.323
  103    HZ2  TRP  19           HZ2      TRP  19 -12.415   1.261  -0.267
  104    HZ3  TRP  19           HZ3      TRP  19 -11.685   5.464  -0.398
  105    HH2  TRP  19           HH2      TRP  19 -12.899   3.493  -1.176
  106    HA   PRO  20           HA       PRO  20  -7.415   2.462   0.439
  107   1HB   PRO  20          2HB       PRO  20  -7.582   2.545  -2.186
  108   2HB   PRO  20          1HB       PRO  20  -8.872   3.218  -1.188
  109   1HG   PRO  20          2HG       PRO  20  -6.750   4.627  -2.731
  110   2HG   PRO  20          1HG       PRO  20  -8.429   5.111  -2.430
  111   1HD   PRO  20          2HD       PRO  20  -6.118   5.952  -1.005
  112   2HD   PRO  20          1HD       PRO  20  -7.812   6.280  -0.587
  113    H    VAL  21           H        VAL  21  -4.705   3.848   0.755
  114    HA   VAL  21           HA       VAL  21  -3.222   1.978  -0.988
  115    HB   VAL  21           HB       VAL  21  -1.330   3.658  -0.976
  116   1HG1  VAL  21          1HG1      VAL  21  -3.558   4.913  -2.465
  117   2HG1  VAL  21          2HG1      VAL  21  -3.253   3.204  -2.780
  118   3HG1  VAL  21          3HG1      VAL  21  -1.969   4.387  -3.027
  119   1HG2  VAL  21          1HG2      VAL  21  -3.081   5.947  -0.784
  120   2HG2  VAL  21          2HG2      VAL  21  -1.525   5.651  -0.011
  121   3HG2  VAL  21          3HG2      VAL  21  -3.007   5.056   0.735
  122    H    CYS  22           H        CYS  22  -0.815   1.818  -0.187
  123    HA   CYS  22           HA       CYS  22  -0.973   1.428   2.734
  124   1HB   CYS  22          2HB       CYS  22   0.545  -0.066   0.615
  125   2HB   CYS  22          1HB       CYS  22   0.799  -0.314   2.335
  126    H    THR  23           H        THR  23   0.854   1.876   4.007
  127    HA   THR  23           HA       THR  23   2.928   3.512   2.725
  128    HB   THR  23           HB       THR  23   2.911   4.903   4.882
  129    HG1  THR  23           HG1      THR  23   0.220   4.526   5.219
  130   1HG2  THR  23          1HG2      THR  23   1.037   5.028   2.602
  131   2HG2  THR  23          2HG2      THR  23   2.185   6.229   3.196
  132   3HG2  THR  23          3HG2      THR  23   0.622   6.034   3.990
  133    H    ARG  24           H        ARG  24   4.885   3.712   4.038
  134    HA   ARG  24           HA       ARG  24   5.233   1.792   6.177
  135   1HB   ARG  24          2HB       ARG  24   5.632   0.497   4.077
  136   2HB   ARG  24          1HB       ARG  24   6.914   1.623   3.666
  137   1HG   ARG  24          2HG       ARG  24   7.729  -0.491   4.632
  138   2HG   ARG  24          1HG       ARG  24   8.213   0.934   5.547
  139   1HD   ARG  24          2HD       ARG  24   6.437   0.526   7.159
  140   2HD   ARG  24          1HD       ARG  24   5.902  -0.875   6.230
  141    HE   ARG  24           HE       ARG  24   8.188  -0.705   7.988
  142   1HH1  ARG  24          1HH1      ARG  24   6.582  -2.497   5.456
  143   2HH1  ARG  24          2HH1      ARG  24   7.456  -3.964   5.742
  144   1HH2  ARG  24          1HH2      ARG  24   9.385  -2.634   8.362
  145   2HH2  ARG  24          2HH2      ARG  24   9.076  -4.032   7.387
  146    H    ASN  25           H        ASN  25   6.513   2.645   7.657
  147    HA   ASN  25           HA       ASN  25   7.889   4.065   8.761
  148   1HB   ASN  25          2HB       ASN  25   9.387   4.457   6.168
  149   2HB   ASN  25          1HB       ASN  25  10.011   4.596   7.807
  150   1HD2  ASN  25          1HD2      ASN  25  10.387   2.829   5.256
  151   2HD2  ASN  25          2HD2      ASN  25  10.598   1.255   5.934
  152    H    GLY  26           H        GLY  26   5.526   5.120   7.537
  153   1HA   GLY  26          2HA       GLY  26   4.525   7.194   7.457
  154   2HA   GLY  26          1HA       GLY  26   6.086   7.910   7.825
  155    H    LEU  27           H        LEU  27   6.064   5.793   5.139
  156    HA   LEU  27           HA       LEU  27   5.818   8.073   3.288
  157   1HB   LEU  27          2HB       LEU  27   7.823   5.815   3.158
  158   2HB   LEU  27          1HB       LEU  27   7.592   7.023   1.910
  159    HG   LEU  27           HG       LEU  27   8.516   7.612   4.724
  160   1HD1  LEU  27          1HD1      LEU  27   9.934   6.573   2.488
  161   2HD1  LEU  27          2HD1      LEU  27  10.553   7.038   4.073
  162   3HD1  LEU  27          3HD1      LEU  27  10.468   8.229   2.776
  163   1HD2  LEU  27          1HD2      LEU  27   9.148   9.636   2.829
  164   2HD2  LEU  27          2HD2      LEU  27   8.127   9.746   4.262
  165   3HD2  LEU  27          3HD2      LEU  27   7.425   9.282   2.712
  166    HA   PRO  28           HA       PRO  28   2.754   5.488   1.427
  167   1HB   PRO  28          2HB       PRO  28   3.226   6.940  -1.061
  168   2HB   PRO  28          1HB       PRO  28   1.774   6.864  -0.068
  169   1HG   PRO  28          2HG       PRO  28   3.331   9.085  -0.236
  170   2HG   PRO  28          1HG       PRO  28   2.375   8.674   1.197
  171   1HD   PRO  28          2HD       PRO  28   5.306   8.419   0.737
  172   2HD   PRO  28          1HD       PRO  28   4.420   8.770   2.234
  173    H    VAL  29           H        VAL  29   2.723   3.676   0.269
  174    HA   VAL  29           HA       VAL  29   5.181   2.957  -1.165
  175    HB   VAL  29           HB       VAL  29   3.043   1.084  -0.088
  176   1HG1  VAL  29          1HG1      VAL  29   5.727   0.662  -1.392
  177   2HG1  VAL  29          2HG1      VAL  29   4.161   0.001  -1.863
  178   3HG1  VAL  29          3HG1      VAL  29   4.959  -0.575  -0.399
  179   1HG2  VAL  29          1HG2      VAL  29   3.953   1.714   1.887
  180   2HG2  VAL  29          2HG2      VAL  29   5.449   2.288   1.147
  181   3HG2  VAL  29          3HG2      VAL  29   5.203   0.561   1.415
  Start of MODEL   17
    1    H    ALA   1           H        ALA   1   5.406   2.484  -3.084
    2    HA   ALA   1           HA       ALA   1   3.253   3.253  -4.704
    3   1HB   ALA   1          1HB       ALA   1   5.947   3.191  -5.005
    4   2HB   ALA   1          2HB       ALA   1   4.799   3.497  -6.309
    5   3HB   ALA   1          3HB       ALA   1   5.451   1.876  -6.071
    6    H    GLY   2           H        GLY   2   1.667   2.152  -5.611
    7   1HA   GLY   2          2HA       GLY   2   0.630   0.413  -6.758
    8   2HA   GLY   2          1HA       GLY   2   2.025  -0.601  -6.433
    9    H    GLU   3           H        GLU   3   1.949  -0.028  -3.552
   10    HA   GLU   3           HA       GLU   3   0.200  -2.148  -2.811
   11   1HB   GLU   3          2HB       GLU   3   2.409  -1.552  -1.718
   12   2HB   GLU   3          1HB       GLU   3   1.569  -0.220  -0.946
   13   1HG   GLU   3          2HG       GLU   3   1.716  -2.069   0.566
   14   2HG   GLU   3          1HG       GLU   3   0.035  -1.816   0.101
   15    H    THR   4           H        THR   4  -1.903  -1.947  -2.637
   16    HA   THR   4           HA       THR   4  -2.979   0.579  -1.622
   17    HB   THR   4           HB       THR   4  -5.142  -0.138  -2.705
   18    HG1  THR   4           HG1      THR   4  -3.417  -1.901  -4.144
   19   1HG2  THR   4          1HG2      THR   4  -4.182   1.583  -3.874
   20   2HG2  THR   4          2HG2      THR   4  -4.111   0.320  -5.104
   21   3HG2  THR   4          3HG2      THR   4  -2.678   0.703  -4.150
   22    H    CYS   5           H        CYS   5  -4.773   0.487  -0.193
   23    HA   CYS   5           HA       CYS   5  -4.926  -2.077   1.252
   24   1HB   CYS   5          2HB       CYS   5  -3.794  -0.202   2.498
   25   2HB   CYS   5          1HB       CYS   5  -5.321   0.672   2.454
   26    H    VAL   6           H        VAL   6  -6.539  -1.418  -0.940
   27    HA   VAL   6           HA       VAL   6  -9.058  -0.381  -0.170
   28    HB   VAL   6           HB       VAL   6  -8.559  -2.364  -2.393
   29   1HG1  VAL   6          1HG1      VAL   6 -10.698  -2.107  -2.912
   30   2HG1  VAL   6          2HG1      VAL   6 -10.511  -0.354  -2.964
   31   3HG1  VAL   6          3HG1      VAL   6 -10.910  -1.153  -1.444
   32   1HG2  VAL   6          1HG2      VAL   6  -7.523   0.271  -2.090
   33   2HG2  VAL   6          2HG2      VAL   6  -8.722   0.282  -3.384
   34   3HG2  VAL   6          3HG2      VAL   6  -7.356  -0.831  -3.458
   35    H    GLY   7           H        GLY   7  -7.661  -3.601  -0.180
   36   1HA   GLY   7          2HA       GLY   7 -10.116  -4.863   0.693
   37   2HA   GLY   7          1HA       GLY   7  -8.565  -5.643   0.456
   38    H    GLY   8           H        GLY   8  -8.057  -2.958   2.236
   39   1HA   GLY   8          2HA       GLY   8  -7.966  -2.482   4.512
   40   2HA   GLY   8          1HA       GLY   8  -8.802  -3.993   4.828
   41    H    THR   9           H        THR   9  -6.284  -4.716   2.824
   42    HA   THR   9           HA       THR   9  -4.251  -4.896   4.902
   43    HB   THR   9           HB       THR   9  -3.859  -7.338   4.271
   44    HG1  THR   9           HG1      THR   9  -5.718  -6.930   2.565
   45   1HG2  THR   9          1HG2      THR   9  -4.633  -7.546   6.352
   46   2HG2  THR   9          2HG2      THR   9  -6.235  -7.804   5.660
   47   3HG2  THR   9          3HG2      THR   9  -5.733  -6.183   6.143
   48    H    CYS  10           H        CYS  10  -2.185  -4.953   4.113
   49    HA   CYS  10           HA       CYS  10  -1.891  -4.571   1.221
   50   1HB   CYS  10          2HB       CYS  10   0.349  -4.192   3.163
   51   2HB   CYS  10          1HB       CYS  10   0.067  -3.394   1.630
   52    H    ASN  11           H        ASN  11  -0.006  -5.504   0.183
   53    HA   ASN  11           HA       ASN  11   0.343  -8.289   0.986
   54   1HB   ASN  11          2HB       ASN  11   1.112  -6.754  -1.500
   55   2HB   ASN  11          1HB       ASN  11   1.643  -8.405  -1.213
   56   1HD2  ASN  11          1HD2      ASN  11  -1.358  -7.979   0.159
   57   2HD2  ASN  11          2HD2      ASN  11  -2.328  -8.593  -1.131
   58    H    THR  12           H        THR  12   2.139  -5.315   0.637
   59    HA   THR  12           HA       THR  12   4.739  -6.352   1.022
   60    HB   THR  12           HB       THR  12   3.636  -3.591   1.593
   61    HG1  THR  12           HG1      THR  12   3.534  -4.148  -0.607
   62   1HG2  THR  12          1HG2      THR  12   6.469  -4.616   1.542
   63   2HG2  THR  12          2HG2      THR  12   5.647  -3.754   2.843
   64   3HG2  THR  12          3HG2      THR  12   6.063  -2.911   1.351
   65    HA   PRO  13           HA       PRO  13   4.457  -7.501   5.310
   66   1HB   PRO  13          2HB       PRO  13   7.403  -7.419   5.195
   67   2HB   PRO  13          1HB       PRO  13   6.330  -8.761   5.599
   68   1HG   PRO  13          2HG       PRO  13   7.663  -8.671   3.280
   69   2HG   PRO  13          1HG       PRO  13   6.040  -9.369   3.394
   70   1HD   PRO  13          2HD       PRO  13   6.895  -6.707   2.333
   71   2HD   PRO  13          1HD       PRO  13   5.634  -7.807   1.741
   72    H    GLY  14           H        GLY  14   4.292  -6.318   7.058
   73   1HA   GLY  14          2HA       GLY  14   4.615  -4.682   8.634
   74   2HA   GLY  14          1HA       GLY  14   6.193  -4.395   7.918
   75    H    ALA  15           H        ALA  15   3.216  -4.145   6.085
   76    HA   ALA  15           HA       ALA  15   3.769  -1.294   5.728
   77   1HB   ALA  15          1HB       ALA  15   3.224  -1.615   3.601
   78   2HB   ALA  15          2HB       ALA  15   1.635  -2.225   4.065
   79   3HB   ALA  15          3HB       ALA  15   3.004  -3.331   3.945
   80    H    THR  16           H        THR  16   2.408   0.255   6.374
   81    HA   THR  16           HA       THR  16   0.176  -0.514   8.071
   82    HB   THR  16           HB       THR  16   0.940   2.327   7.542
   83    HG1  THR  16           HG1      THR  16   2.579   0.376   8.575
   84   1HG2  THR  16          1HG2      THR  16   0.055   2.744   9.638
   85   2HG2  THR  16          2HG2      THR  16   0.366   1.105  10.209
   86   3HG2  THR  16          3HG2      THR  16  -0.961   1.412   9.087
   87    H    CYS  17           H        CYS  17  -1.927   0.248   7.740
   88    HA   CYS  17           HA       CYS  17  -2.655   0.508   4.971
   89   1HB   CYS  17          2HB       CYS  17  -3.960  -0.897   6.541
   90   2HB   CYS  17          1HB       CYS  17  -4.424   0.554   7.422
   91    H    SER  18           H        SER  18  -3.360   2.241   3.924
   92    HA   SER  18           HA       SER  18  -4.020   4.701   5.333
   93   1HB   SER  18          2HB       SER  18  -1.908   4.538   3.166
   94   2HB   SER  18          1HB       SER  18  -2.505   6.025   3.902
   95    HG   SER  18           HG       SER  18  -1.772   4.478   5.887
   96    H    TRP  19           H        TRP  19  -5.907   3.318   4.449
   97    HA   TRP  19           HA       TRP  19  -6.722   2.834   2.006
   98   1HB   TRP  19          2HB       TRP  19  -8.065   3.024   4.296
   99   2HB   TRP  19          1HB       TRP  19  -8.693   4.473   3.511
  100    HD1  TRP  19           HD1      TRP  19  -8.736   0.673   3.258
  101    HE1  TRP  19           HE1      TRP  19 -10.549  -0.046   1.582
  102    HE3  TRP  19           HE3      TRP  19 -10.009   5.270   1.423
  103    HZ2  TRP  19           HZ2      TRP  19 -12.287   1.168  -0.272
  104    HZ3  TRP  19           HZ3      TRP  19 -11.761   5.405  -0.301
  105    HH2  TRP  19           HH2      TRP  19 -12.876   3.396  -1.130
  106    HA   PRO  20           HA       PRO  20  -7.556   2.647   0.479
  107   1HB   PRO  20          2HB       PRO  20  -7.633   2.822  -2.152
  108   2HB   PRO  20          1HB       PRO  20  -8.925   3.508  -1.166
  109   1HG   PRO  20          2HG       PRO  20  -6.681   4.892  -2.561
  110   2HG   PRO  20          1HG       PRO  20  -8.363   5.410  -2.354
  111   1HD   PRO  20          2HD       PRO  20  -6.163   6.205  -0.784
  112   2HD   PRO  20          1HD       PRO  20  -7.876   6.458  -0.399
  113    H    VAL  21           H        VAL  21  -4.758   3.996   0.803
  114    HA   VAL  21           HA       VAL  21  -3.372   2.021  -0.896
  115    HB   VAL  21           HB       VAL  21  -1.395   3.558  -0.936
  116   1HG1  VAL  21          1HG1      VAL  21  -2.341   5.022  -2.716
  117   2HG1  VAL  21          2HG1      VAL  21  -3.948   4.444  -2.274
  118   3HG1  VAL  21          3HG1      VAL  21  -2.747   3.316  -2.904
  119   1HG2  VAL  21          1HG2      VAL  21  -1.387   5.445   0.225
  120   2HG2  VAL  21          2HG2      VAL  21  -3.007   5.080   0.819
  121   3HG2  VAL  21          3HG2      VAL  21  -2.801   6.018  -0.661
  122    H    CYS  22           H        CYS  22  -0.848   2.136  -0.010
  123    HA   CYS  22           HA       CYS  22  -1.046   1.625   2.886
  124   1HB   CYS  22          2HB       CYS  22   0.296  -0.049   0.762
  125   2HB   CYS  22          1HB       CYS  22   0.618  -0.244   2.483
  126    H    THR  23           H        THR  23   0.770   2.082   4.131
  127    HA   THR  23           HA       THR  23   3.009   3.416   2.767
  128    HB   THR  23           HB       THR  23   3.075   5.097   4.633
  129    HG1  THR  23           HG1      THR  23   0.377   4.688   5.199
  130   1HG2  THR  23          1HG2      THR  23   0.953   4.966   2.563
  131   2HG2  THR  23          2HG2      THR  23   2.223   6.163   2.810
  132   3HG2  THR  23          3HG2      THR  23   0.770   6.200   3.810
  133    H    ARG  24           H        ARG  24   4.919   3.629   4.192
  134    HA   ARG  24           HA       ARG  24   4.989   1.918   6.525
  135   1HB   ARG  24          2HB       ARG  24   5.435   0.381   4.605
  136   2HB   ARG  24          1HB       ARG  24   6.828   1.370   4.185
  137   1HG   ARG  24          2HG       ARG  24   7.970   0.774   6.165
  138   2HG   ARG  24          1HG       ARG  24   6.519   0.060   6.871
  139   1HD   ARG  24          2HD       ARG  24   7.995  -1.690   6.110
  140   2HD   ARG  24          1HD       ARG  24   6.544  -1.664   5.111
  141    HE   ARG  24           HE       ARG  24   8.521  -0.097   3.883
  142   1HH1  ARG  24          1HH1      ARG  24   7.799  -3.444   4.612
  143   2HH1  ARG  24          2HH1      ARG  24   8.713  -4.067   3.278
  144   1HH2  ARG  24          1HH2      ARG  24   9.731  -0.915   2.111
  145   2HH2  ARG  24          2HH2      ARG  24   9.815  -2.625   1.852
  146    H    ASN  25           H        ASN  25   6.179   2.874   8.004
  147    HA   ASN  25           HA       ASN  25   7.576   4.311   9.057
  148   1HB   ASN  25          2HB       ASN  25   9.260   2.945   7.699
  149   2HB   ASN  25          1HB       ASN  25   9.295   4.297   6.573
  150   1HD2  ASN  25          1HD2      ASN  25  10.899   5.652   6.895
  151   2HD2  ASN  25          2HD2      ASN  25  11.656   5.998   8.406
  152    H    GLY  26           H        GLY  26   5.394   5.345   7.521
  153   1HA   GLY  26          2HA       GLY  26   4.544   7.464   7.183
  154   2HA   GLY  26          1HA       GLY  26   6.137   8.117   7.521
  155    H    LEU  27           H        LEU  27   6.298   5.737   5.140
  156    HA   LEU  27           HA       LEU  27   6.166   7.783   3.020
  157   1HB   LEU  27          2HB       LEU  27   8.149   5.586   3.497
  158   2HB   LEU  27          1HB       LEU  27   7.825   6.113   1.858
  159    HG   LEU  27           HG       LEU  27   8.433   8.459   2.632
  160   1HD1  LEU  27          1HD1      LEU  27   8.449   7.273   5.139
  161   2HD1  LEU  27          2HD1      LEU  27   9.044   8.880   4.723
  162   3HD1  LEU  27          3HD1      LEU  27  10.153   7.507   4.746
  163   1HD2  LEU  27          1HD2      LEU  27   9.882   6.666   1.412
  164   2HD2  LEU  27          2HD2      LEU  27  10.771   6.634   2.935
  165   3HD2  LEU  27          3HD2      LEU  27  10.626   8.140   2.028
  166    HA   PRO  28           HA       PRO  28   2.986   5.162   1.419
  167   1HB   PRO  28          2HB       PRO  28   3.419   6.466  -1.152
  168   2HB   PRO  28          1HB       PRO  28   1.995   6.483  -0.113
  169   1HG   PRO  28          2HG       PRO  28   3.597   8.653  -0.452
  170   2HG   PRO  28          1HG       PRO  28   2.686   8.342   1.036
  171   1HD   PRO  28          2HD       PRO  28   5.590   7.961   0.475
  172   2HD   PRO  28          1HD       PRO  28   4.782   8.453   1.975
  173    H    VAL  29           H        VAL  29   2.894   3.299   0.373
  174    HA   VAL  29           HA       VAL  29   5.324   2.373  -0.960
  175    HB   VAL  29           HB       VAL  29   2.910   0.741  -0.092
  176   1HG1  VAL  29          1HG1      VAL  29   5.604  -0.445  -0.482
  177   2HG1  VAL  29          2HG1      VAL  29   4.716   0.016  -1.934
  178   3HG1  VAL  29          3HG1      VAL  29   4.007  -1.127  -0.793
  179   1HG2  VAL  29          1HG2      VAL  29   5.263   1.720   1.378
  180   2HG2  VAL  29          2HG2      VAL  29   4.931  -0.003   1.557
  181   3HG2  VAL  29          3HG2      VAL  29   3.691   1.182   1.971
  Start of MODEL   18
    1    H    ALA   1           H        ALA   1   5.674   2.034  -3.080
    2    HA   ALA   1           HA       ALA   1   3.734   2.937  -4.923
    3   1HB   ALA   1          1HB       ALA   1   6.508   1.992  -5.029
    4   2HB   ALA   1          2HB       ALA   1   5.733   3.345  -5.854
    5   3HB   ALA   1          3HB       ALA   1   5.570   1.710  -6.495
    6    H    GLY   2           H        GLY   2   2.201   1.907  -5.982
    7   1HA   GLY   2          2HA       GLY   2   0.967   0.239  -6.957
    8   2HA   GLY   2          1HA       GLY   2   2.388  -0.787  -6.861
    9    H    GLU   3           H        GLU   3   0.874   0.718  -4.068
   10    HA   GLU   3           HA       GLU   3  -0.186  -1.908  -3.289
   11   1HB   GLU   3          2HB       GLU   3   1.601  -0.080  -1.742
   12   2HB   GLU   3          1HB       GLU   3   0.422  -1.072  -0.895
   13   1HG   GLU   3          2HG       GLU   3   2.044  -2.471  -2.864
   14   2HG   GLU   3          1HG       GLU   3   2.924  -1.853  -1.471
   15    H    THR   4           H        THR   4  -2.243  -1.850  -2.823
   16    HA   THR   4           HA       THR   4  -3.385   0.691  -1.904
   17    HB   THR   4           HB       THR   4  -5.566  -0.114  -2.808
   18    HG1  THR   4           HG1      THR   4  -3.873  -2.030  -4.084
   19   1HG2  THR   4          1HG2      THR   4  -3.591   0.117  -5.057
   20   2HG2  THR   4          2HG2      THR   4  -3.883   1.474  -3.969
   21   3HG2  THR   4          3HG2      THR   4  -5.208   0.806  -4.921
   22    H    CYS   5           H        CYS   5  -4.916   0.608  -0.291
   23    HA   CYS   5           HA       CYS   5  -5.005  -1.949   1.169
   24   1HB   CYS   5          2HB       CYS   5  -3.676  -0.064   2.257
   25   2HB   CYS   5          1HB       CYS   5  -5.209   0.784   2.449
   26    H    VAL   6           H        VAL   6  -6.815  -1.329  -0.820
   27    HA   VAL   6           HA       VAL   6  -9.182  -0.104   0.109
   28    HB   VAL   6           HB       VAL   6  -8.988  -2.266  -1.993
   29   1HG1  VAL   6          1HG1      VAL   6 -10.938  -0.113  -2.319
   30   2HG1  VAL   6          2HG1      VAL   6 -11.226  -1.135  -0.910
   31   3HG1  VAL   6          3HG1      VAL   6 -11.125  -1.855  -2.517
   32   1HG2  VAL   6          1HG2      VAL   6  -8.861   0.704  -2.460
   33   2HG2  VAL   6          2HG2      VAL   6  -8.591  -0.592  -3.624
   34   3HG2  VAL   6          3HG2      VAL   6  -7.427  -0.314  -2.329
   35    H    GLY   7           H        GLY   7  -8.074  -3.451   0.106
   36   1HA   GLY   7          2HA       GLY   7 -10.475  -4.323   1.519
   37   2HA   GLY   7          1HA       GLY   7  -9.202  -5.352   0.894
   38    H    GLY   8           H        GLY   8  -7.892  -2.781   2.474
   39   1HA   GLY   8          2HA       GLY   8  -6.965  -2.444   4.561
   40   2HA   GLY   8          1HA       GLY   8  -8.070  -3.655   5.174
   41    H    THR   9           H        THR   9  -5.867  -4.275   2.588
   42    HA   THR   9           HA       THR   9  -4.000  -5.679   4.338
   43    HB   THR   9           HB       THR   9  -4.053  -7.658   2.751
   44    HG1  THR   9           HG1      THR   9  -5.355  -6.446   1.159
   45   1HG2  THR   9          1HG2      THR   9  -5.021  -8.441   4.620
   46   2HG2  THR   9          2HG2      THR   9  -6.541  -8.244   3.746
   47   3HG2  THR   9          3HG2      THR   9  -5.984  -6.979   4.842
   48    H    CYS  10           H        CYS  10  -1.936  -5.823   3.514
   49    HA   CYS  10           HA       CYS  10  -1.476  -4.710   0.826
   50   1HB   CYS  10          2HB       CYS  10   0.418  -4.334   3.132
   51   2HB   CYS  10          1HB       CYS  10   0.458  -3.548   1.568
   52    H    ASN  11           H        ASN  11   0.659  -5.292  -0.027
   53    HA   ASN  11           HA       ASN  11   1.122  -8.144   0.360
   54   1HB   ASN  11          2HB       ASN  11   0.955  -7.314  -1.929
   55   2HB   ASN  11          1HB       ASN  11   2.252  -6.162  -1.634
   56   1HD2  ASN  11          1HD2      ASN  11   4.151  -6.741  -2.363
   57   2HD2  ASN  11          2HD2      ASN  11   4.703  -8.359  -2.605
   58    H    THR  12           H        THR  12   2.662  -5.059   0.852
   59    HA   THR  12           HA       THR  12   5.262  -6.045   1.471
   60    HB   THR  12           HB       THR  12   4.037  -3.434   2.379
   61    HG1  THR  12           HG1      THR  12   3.796  -3.572   0.142
   62   1HG2  THR  12          1HG2      THR  12   6.904  -3.914   1.642
   63   2HG2  THR  12          2HG2      THR  12   6.316  -4.285   3.263
   64   3HG2  THR  12          3HG2      THR  12   6.212  -2.637   2.642
   65    HA   PRO  13           HA       PRO  13   4.312  -7.631   5.531
   66   1HB   PRO  13          2HB       PRO  13   6.898  -8.003   6.333
   67   2HB   PRO  13          1HB       PRO  13   6.024  -9.127   5.287
   68   1HG   PRO  13          2HG       PRO  13   8.001  -7.008   4.561
   69   2HG   PRO  13          1HG       PRO  13   7.816  -8.645   3.914
   70   1HD   PRO  13          2HD       PRO  13   6.913  -6.460   2.604
   71   2HD   PRO  13          1HD       PRO  13   6.100  -8.035   2.502
   72    H    GLY  14           H        GLY  14   3.852  -6.552   7.291
   73   1HA   GLY  14          2HA       GLY  14   3.934  -5.035   9.017
   74   2HA   GLY  14          1HA       GLY  14   5.636  -4.808   8.644
   75    H    ALA  15           H        ALA  15   2.918  -4.257   6.469
   76    HA   ALA  15           HA       ALA  15   3.813  -1.501   6.138
   77   1HB   ALA  15          1HB       ALA  15   1.594  -2.603   4.505
   78   2HB   ALA  15          2HB       ALA  15   3.209  -3.266   4.250
   79   3HB   ALA  15          3HB       ALA  15   2.922  -1.538   4.044
   80    H    THR  16           H        THR  16   2.495   0.258   6.431
   81    HA   THR  16           HA       THR  16   0.282  -0.119   8.280
   82    HB   THR  16           HB       THR  16   1.149   2.564   7.290
   83    HG1  THR  16           HG1      THR  16   2.715   0.725   8.680
   84   1HG2  THR  16          1HG2      THR  16   0.914   2.328  10.123
   85   2HG2  THR  16          2HG2      THR  16  -0.481   1.550   9.375
   86   3HG2  THR  16          3HG2      THR  16  -0.106   3.233   9.004
   87    H    CYS  17           H        CYS  17  -1.803   0.693   7.860
   88    HA   CYS  17           HA       CYS  17  -2.461   0.745   5.027
   89   1HB   CYS  17          2HB       CYS  17  -3.713  -0.772   6.526
   90   2HB   CYS  17          1HB       CYS  17  -4.312   0.627   7.413
   91    H    SER  18           H        SER  18  -3.198   2.439   3.964
   92    HA   SER  18           HA       SER  18  -4.067   4.836   5.381
   93   1HB   SER  18          2HB       SER  18  -1.960   4.809   3.202
   94   2HB   SER  18          1HB       SER  18  -2.650   6.254   3.940
   95    HG   SER  18           HG       SER  18  -1.832   4.851   5.951
   96    H    TRP  19           H        TRP  19  -5.906   3.419   4.545
   97    HA   TRP  19           HA       TRP  19  -6.743   2.822   2.139
   98   1HB   TRP  19          2HB       TRP  19  -8.066   3.012   4.395
   99   2HB   TRP  19          1HB       TRP  19  -8.656   4.515   3.693
  100    HD1  TRP  19           HD1      TRP  19  -8.937   0.744   3.361
  101    HE1  TRP  19           HE1      TRP  19 -10.833   0.169   1.721
  102    HE3  TRP  19           HE3      TRP  19  -9.926   5.435   1.602
  103    HZ2  TRP  19           HZ2      TRP  19 -12.527   1.528  -0.080
  104    HZ3  TRP  19           HZ3      TRP  19 -11.703   5.716  -0.078
  105    HH2  TRP  19           HH2      TRP  19 -12.974   3.801  -0.902
  106    HA   PRO  20           HA       PRO  20  -7.398   2.553   0.581
  107   1HB   PRO  20          2HB       PRO  20  -7.639   2.692  -2.036
  108   2HB   PRO  20          1HB       PRO  20  -8.920   3.296  -0.983
  109   1HG   PRO  20          2HG       PRO  20  -6.927   4.811  -2.583
  110   2HG   PRO  20          1HG       PRO  20  -8.587   5.249  -2.151
  111   1HD   PRO  20          2HD       PRO  20  -6.172   6.049  -0.844
  112   2HD   PRO  20          1HD       PRO  20  -7.840   6.412  -0.355
  113    H    VAL  21           H        VAL  21  -4.711   3.904   0.910
  114    HA   VAL  21           HA       VAL  21  -3.242   2.153  -0.965
  115    HB   VAL  21           HB       VAL  21  -1.372   3.875  -0.899
  116   1HG1  VAL  21          1HG1      VAL  21  -3.958   4.353  -2.359
  117   2HG1  VAL  21          2HG1      VAL  21  -2.512   3.528  -2.941
  118   3HG1  VAL  21          3HG1      VAL  21  -2.491   5.273  -2.691
  119   1HG2  VAL  21          1HG2      VAL  21  -3.413   5.288   0.607
  120   2HG2  VAL  21          2HG2      VAL  21  -2.796   6.225  -0.754
  121   3HG2  VAL  21          3HG2      VAL  21  -1.684   5.605   0.467
  122    H    CYS  22           H        CYS  22  -0.991   1.620  -0.255
  123    HA   CYS  22           HA       CYS  22  -1.014   1.272   2.668
  124   1HB   CYS  22          2HB       CYS  22   0.493  -0.170   0.502
  125   2HB   CYS  22          1HB       CYS  22   0.694  -0.491   2.215
  126    H    THR  23           H        THR  23   0.753   1.800   3.934
  127    HA   THR  23           HA       THR  23   2.920   3.288   2.628
  128    HB   THR  23           HB       THR  23   2.897   4.883   4.587
  129    HG1  THR  23           HG1      THR  23   0.248   4.589   5.124
  130   1HG2  THR  23          1HG2      THR  23   1.164   4.830   2.285
  131   2HG2  THR  23          2HG2      THR  23   1.986   6.199   3.034
  132   3HG2  THR  23          3HG2      THR  23   0.396   5.700   3.614
  133    H    ARG  24           H        ARG  24   4.810   3.556   4.111
  134    HA   ARG  24           HA       ARG  24   4.951   1.693   6.324
  135   1HB   ARG  24          2HB       ARG  24   5.547   0.562   4.012
  136   2HB   ARG  24          1HB       ARG  24   7.072   1.407   4.230
  137   1HG   ARG  24          2HG       ARG  24   7.477   0.262   6.300
  138   2HG   ARG  24          1HG       ARG  24   5.878  -0.484   6.244
  139   1HD   ARG  24          2HD       ARG  24   6.585  -1.530   4.054
  140   2HD   ARG  24          1HD       ARG  24   8.218  -0.977   4.416
  141    HE   ARG  24           HE       ARG  24   6.892  -3.244   5.513
  142   1HH1  ARG  24          1HH1      ARG  24   9.239  -0.759   6.291
  143   2HH1  ARG  24          2HH1      ARG  24  10.001  -1.690   7.536
  144   1HH2  ARG  24          1HH2      ARG  24   7.885  -4.472   7.134
  145   2HH2  ARG  24          2HH2      ARG  24   9.228  -3.818   8.018
  146    H    ASN  25           H        ASN  25   6.024   2.676   7.880
  147    HA   ASN  25           HA       ASN  25   7.323   4.138   9.028
  148   1HB   ASN  25          2HB       ASN  25   9.092   2.844   7.696
  149   2HB   ASN  25          1HB       ASN  25   9.150   4.243   6.627
  150   1HD2  ASN  25          1HD2      ASN  25  10.678   5.648   7.088
  151   2HD2  ASN  25          2HD2      ASN  25  11.368   5.931   8.645
  152    H    GLY  26           H        GLY  26   5.180   5.165   7.460
  153   1HA   GLY  26          2HA       GLY  26   4.298   7.277   7.150
  154   2HA   GLY  26          1HA       GLY  26   5.877   7.951   7.516
  155    H    LEU  27           H        LEU  27   6.093   5.615   5.081
  156    HA   LEU  27           HA       LEU  27   5.925   7.702   3.001
  157   1HB   LEU  27          2HB       LEU  27   7.981   5.559   3.436
  158   2HB   LEU  27          1HB       LEU  27   7.666   6.151   1.820
  159    HG   LEU  27           HG       LEU  27   9.554   7.329   2.601
  160   1HD1  LEU  27          1HD1      LEU  27   8.394   9.692   3.103
  161   2HD1  LEU  27          2HD1      LEU  27   7.017   8.813   2.436
  162   3HD1  LEU  27          3HD1      LEU  27   8.499   8.976   1.494
  163   1HD2  LEU  27          1HD2      LEU  27   8.014   7.608   5.148
  164   2HD2  LEU  27          2HD2      LEU  27   9.301   8.746   4.747
  165   3HD2  LEU  27          3HD2      LEU  27   9.659   7.025   4.889
  166    HA   PRO  28           HA       PRO  28   2.873   4.999   1.272
  167   1HB   PRO  28          2HB       PRO  28   3.381   6.322  -1.282
  168   2HB   PRO  28          1HB       PRO  28   1.910   6.287  -0.313
  169   1HG   PRO  28          2HG       PRO  28   3.444   8.511  -0.565
  170   2HG   PRO  28          1HG       PRO  28   2.485   8.156   0.881
  171   1HD   PRO  28          2HD       PRO  28   5.421   7.889   0.440
  172   2HD   PRO  28          1HD       PRO  28   4.532   8.335   1.909
  173    H    VAL  29           H        VAL  29   2.863   3.132   0.195
  174    HA   VAL  29           HA       VAL  29   5.389   2.252  -0.970
  175    HB   VAL  29           HB       VAL  29   2.933   0.585  -0.341
  176   1HG1  VAL  29          1HG1      VAL  29   4.340  -0.470  -1.990
  177   2HG1  VAL  29          2HG1      VAL  29   4.571  -1.288  -0.445
  178   3HG1  VAL  29          3HG1      VAL  29   5.782  -0.148  -1.028
  179   1HG2  VAL  29          1HG2      VAL  29   3.725   1.475   1.722
  180   2HG2  VAL  29          2HG2      VAL  29   5.404   1.153   1.289
  181   3HG2  VAL  29          3HG2      VAL  29   4.305  -0.188   1.612
  Start of MODEL   19
    1    H    ALA   1           H        ALA   1   5.089   3.421  -3.420
    2    HA   ALA   1           HA       ALA   1   2.717   4.054  -4.826
    3   1HB   ALA   1          1HB       ALA   1   4.549   3.647  -6.794
    4   2HB   ALA   1          2HB       ALA   1   5.587   3.965  -5.405
    5   3HB   ALA   1          3HB       ALA   1   4.365   5.144  -5.881
    6    H    GLY   2           H        GLY   2   1.299   2.761  -5.762
    7   1HA   GLY   2          2HA       GLY   2   0.721   1.031  -7.283
    8   2HA   GLY   2          1HA       GLY   2   2.202   0.196  -6.846
    9    H    GLU   3           H        GLU   3   1.816   0.409  -3.976
   10    HA   GLU   3           HA       GLU   3   0.025  -1.837  -3.719
   11   1HB   GLU   3          2HB       GLU   3   2.273  -1.531  -2.500
   12   2HB   GLU   3          1HB       GLU   3   1.388  -0.466  -1.418
   13   1HG   GLU   3          2HG       GLU   3  -0.048  -2.217  -0.724
   14   2HG   GLU   3          1HG       GLU   3   0.548  -3.291  -1.985
   15    H    THR   4           H        THR   4  -2.031  -1.730  -3.252
   16    HA   THR   4           HA       THR   4  -3.065   0.729  -2.040
   17    HB   THR   4           HB       THR   4  -5.293  -0.036  -2.925
   18    HG1  THR   4           HG1      THR   4  -3.923  -1.608  -4.805
   19   1HG2  THR   4          1HG2      THR   4  -4.309   1.741  -4.093
   20   2HG2  THR   4          2HG2      THR   4  -4.662   0.554  -5.350
   21   3HG2  THR   4          3HG2      THR   4  -3.018   0.726  -4.736
   22    H    CYS   5           H        CYS   5  -4.695   0.559  -0.448
   23    HA   CYS   5           HA       CYS   5  -4.706  -2.039   0.945
   24   1HB   CYS   5          2HB       CYS   5  -3.426  -0.143   2.089
   25   2HB   CYS   5          1HB       CYS   5  -4.987   0.646   2.310
   26    H    VAL   6           H        VAL   6  -6.531  -1.428  -1.022
   27    HA   VAL   6           HA       VAL   6  -8.914  -0.236  -0.114
   28    HB   VAL   6           HB       VAL   6  -8.706  -2.433  -2.176
   29   1HG1  VAL   6          1HG1      VAL   6 -10.699  -0.187  -2.030
   30   2HG1  VAL   6          2HG1      VAL   6 -10.982  -1.772  -1.312
   31   3HG1  VAL   6          3HG1      VAL   6 -10.748  -1.623  -3.053
   32   1HG2  VAL   6          1HG2      VAL   6  -8.392   0.546  -2.530
   33   2HG2  VAL   6          2HG2      VAL   6  -8.485  -0.635  -3.836
   34   3HG2  VAL   6          3HG2      VAL   6  -7.125  -0.667  -2.714
   35    H    GLY   7           H        GLY   7  -7.735  -3.552   0.019
   36   1HA   GLY   7          2HA       GLY   7 -10.170  -4.534   1.249
   37   2HA   GLY   7          1HA       GLY   7  -8.718  -5.453   0.911
   38    H    GLY   8           H        GLY   8  -8.041  -2.592   2.461
   39   1HA   GLY   8          2HA       GLY   8  -7.454  -2.019   4.616
   40   2HA   GLY   8          1HA       GLY   8  -8.507  -3.309   5.165
   41    H    THR   9           H        THR   9  -6.097  -4.169   2.941
   42    HA   THR   9           HA       THR   9  -4.126  -4.881   4.940
   43    HB   THR   9           HB       THR   9  -4.163  -7.271   3.750
   44    HG1  THR   9           HG1      THR   9  -6.893  -6.428   3.753
   45   1HG2  THR   9          1HG2      THR   9  -5.907  -7.871   5.680
   46   2HG2  THR   9          2HG2      THR   9  -5.505  -6.229   6.181
   47   3HG2  THR   9          3HG2      THR   9  -4.232  -7.439   6.020
   48    H    CYS  10           H        CYS  10  -2.092  -5.258   4.075
   49    HA   CYS  10           HA       CYS  10  -1.796  -4.585   1.231
   50   1HB   CYS  10          2HB       CYS  10   0.316  -4.394   3.376
   51   2HB   CYS  10          1HB       CYS  10   0.414  -3.786   1.734
   52    H    ASN  11           H        ASN  11   0.301  -5.499   0.320
   53    HA   ASN  11           HA       ASN  11   0.261  -8.384   0.818
   54   1HB   ASN  11          2HB       ASN  11   1.267  -6.735  -1.505
   55   2HB   ASN  11          1HB       ASN  11   1.597  -8.457  -1.350
   56   1HD2  ASN  11          1HD2      ASN  11   0.244  -9.739  -2.358
   57   2HD2  ASN  11          2HD2      ASN  11  -1.392  -9.374  -2.773
   58    H    THR  12           H        THR  12   2.268  -5.558   0.968
   59    HA   THR  12           HA       THR  12   4.713  -7.048   1.358
   60    HB   THR  12           HB       THR  12   4.311  -4.127   2.004
   61    HG1  THR  12           HG1      THR  12   3.811  -3.926  -0.055
   62   1HG2  THR  12          1HG2      THR  12   6.541  -4.061   2.186
   63   2HG2  THR  12          2HG2      THR  12   6.759  -4.939   0.673
   64   3HG2  THR  12          3HG2      THR  12   6.509  -5.824   2.178
   65    HA   PRO  13           HA       PRO  13   3.953  -7.945   5.648
   66   1HB   PRO  13          2HB       PRO  13   6.888  -8.323   5.716
   67   2HB   PRO  13          1HB       PRO  13   5.596  -9.447   6.151
   68   1HG   PRO  13          2HG       PRO  13   7.000  -9.760   3.906
   69   2HG   PRO  13          1HG       PRO  13   5.267 -10.126   3.966
   70   1HD   PRO  13          2HD       PRO  13   6.667  -7.744   2.817
   71   2HD   PRO  13          1HD       PRO  13   5.254  -8.628   2.205
   72    H    GLY  14           H        GLY  14   3.917  -6.744   7.413
   73   1HA   GLY  14          2HA       GLY  14   4.387  -5.116   8.957
   74   2HA   GLY  14          1HA       GLY  14   6.024  -5.092   8.326
   75    H    ALA  15           H        ALA  15   3.170  -4.407   6.395
   76    HA   ALA  15           HA       ALA  15   4.191  -1.680   5.998
   77   1HB   ALA  15          1HB       ALA  15   1.968  -2.695   4.323
   78   2HB   ALA  15          2HB       ALA  15   3.535  -3.477   4.116
   79   3HB   ALA  15          3HB       ALA  15   3.380  -1.737   3.879
   80    H    THR  16           H        THR  16   2.826   0.100   6.218
   81    HA   THR  16           HA       THR  16   0.639  -0.278   8.098
   82    HB   THR  16           HB       THR  16   1.479   2.396   7.055
   83    HG1  THR  16           HG1      THR  16   3.040   0.590   8.492
   84   1HG2  THR  16          1HG2      THR  16   0.641   1.393   9.777
   85   2HG2  THR  16          2HG2      THR  16  -0.377   2.269   8.634
   86   3HG2  THR  16          3HG2      THR  16   1.009   3.070   9.373
   87    H    CYS  17           H        CYS  17  -1.464   0.548   7.710
   88    HA   CYS  17           HA       CYS  17  -2.151   0.604   4.872
   89   1HB   CYS  17          2HB       CYS  17  -3.345  -1.022   6.290
   90   2HB   CYS  17          1HB       CYS  17  -3.969   0.302   7.270
   91    H    SER  18           H        SER  18  -3.102   2.266   3.895
   92    HA   SER  18           HA       SER  18  -3.990   4.590   5.404
   93   1HB   SER  18          2HB       SER  18  -1.886   4.691   3.228
   94   2HB   SER  18          1HB       SER  18  -2.647   6.102   3.960
   95    HG   SER  18           HG       SER  18  -1.779   4.684   5.965
   96    H    TRP  19           H        TRP  19  -5.806   3.168   4.540
   97    HA   TRP  19           HA       TRP  19  -6.646   2.638   2.112
   98   1HB   TRP  19          2HB       TRP  19  -7.949   2.711   4.397
   99   2HB   TRP  19          1HB       TRP  19  -8.603   4.208   3.736
  100    HD1  TRP  19           HD1      TRP  19  -8.731   0.436   3.304
  101    HE1  TRP  19           HE1      TRP  19 -10.608  -0.172   1.653
  102    HE3  TRP  19           HE3      TRP  19  -9.924   5.128   1.687
  103    HZ2  TRP  19           HZ2      TRP  19 -12.366   1.165  -0.099
  104    HZ3  TRP  19           HZ3      TRP  19 -11.721   5.383   0.021
  105    HH2  TRP  19           HH2      TRP  19 -12.916   3.440  -0.853
  106    HA   PRO  20           HA       PRO  20  -7.368   2.422   0.559
  107   1HB   PRO  20          2HB       PRO  20  -7.616   2.656  -2.052
  108   2HB   PRO  20          1HB       PRO  20  -8.900   3.204  -0.974
  109   1HG   PRO  20          2HG       PRO  20  -6.919   4.803  -2.509
  110   2HG   PRO  20          1HG       PRO  20  -8.591   5.199  -2.079
  111   1HD   PRO  20          2HD       PRO  20  -6.215   6.010  -0.727
  112   2HD   PRO  20          1HD       PRO  20  -7.893   6.292  -0.221
  113    H    VAL  21           H        VAL  21  -4.693   3.792   0.923
  114    HA   VAL  21           HA       VAL  21  -3.223   2.104  -1.001
  115    HB   VAL  21           HB       VAL  21  -1.358   3.801  -0.945
  116   1HG1  VAL  21          1HG1      VAL  21  -3.043   5.435  -2.394
  117   2HG1  VAL  21          2HG1      VAL  21  -3.861   3.872  -2.425
  118   3HG1  VAL  21          3HG1      VAL  21  -2.200   4.010  -3.003
  119   1HG2  VAL  21          1HG2      VAL  21  -1.856   5.203   0.858
  120   2HG2  VAL  21          2HG2      VAL  21  -3.526   5.429   0.338
  121   3HG2  VAL  21          3HG2      VAL  21  -2.211   6.180  -0.566
  122    H    CYS  22           H        CYS  22  -0.873   1.789  -0.305
  123    HA   CYS  22           HA       CYS  22  -0.887   1.229   2.581
  124   1HB   CYS  22          2HB       CYS  22   0.551  -0.119   0.292
  125   2HB   CYS  22          1HB       CYS  22   0.928  -0.438   1.986
  126    H    THR  23           H        THR  23   0.940   1.694   3.835
  127    HA   THR  23           HA       THR  23   2.992   3.377   2.584
  128    HB   THR  23           HB       THR  23   2.896   4.893   4.598
  129    HG1  THR  23           HG1      THR  23   0.293   4.463   5.178
  130   1HG2  THR  23          1HG2      THR  23   0.379   5.668   3.734
  131   2HG2  THR  23          2HG2      THR  23   1.049   4.796   2.355
  132   3HG2  THR  23          3HG2      THR  23   1.922   6.167   3.040
  133    H    ARG  24           H        ARG  24   4.807   3.790   4.172
  134    HA   ARG  24           HA       ARG  24   5.123   1.797   6.247
  135   1HB   ARG  24          2HB       ARG  24   5.866   0.620   4.205
  136   2HB   ARG  24          1HB       ARG  24   7.008   1.917   3.882
  137   1HG   ARG  24          2HG       ARG  24   8.145   1.389   6.011
  138   2HG   ARG  24          1HG       ARG  24   7.044   0.032   6.227
  139   1HD   ARG  24          2HD       ARG  24   8.814   0.373   3.814
  140   2HD   ARG  24          1HD       ARG  24   9.279  -0.554   5.240
  141    HE   ARG  24           HE       ARG  24   7.462  -1.349   3.171
  142   1HH1  ARG  24          1HH1      ARG  24   8.386  -1.831   6.511
  143   2HH1  ARG  24          2HH1      ARG  24   7.547  -3.338   6.663
  144   1HH2  ARG  24          1HH2      ARG  24   6.363  -3.348   3.367
  145   2HH2  ARG  24          2HH2      ARG  24   6.420  -4.219   4.868
  146    H    ASN  25           H        ASN  25   5.948   2.860   7.906
  147    HA   ASN  25           HA       ASN  25   7.035   4.399   9.177
  148   1HB   ASN  25          2HB       ASN  25   8.948   4.196   6.853
  149   2HB   ASN  25          1HB       ASN  25   9.286   5.189   8.265
  150   1HD2  ASN  25          1HD2      ASN  25   7.703   3.004   9.801
  151   2HD2  ASN  25          2HD2      ASN  25   8.905   1.798  10.080
  152    H    GLY  26           H        GLY  26   4.938   5.357   7.534
  153   1HA   GLY  26          2HA       GLY  26   3.976   7.438   7.233
  154   2HA   GLY  26          1HA       GLY  26   5.512   8.171   7.660
  155    H    LEU  27           H        LEU  27   5.987   5.893   5.248
  156    HA   LEU  27           HA       LEU  27   5.880   7.996   3.184
  157   1HB   LEU  27          2HB       LEU  27   7.703   5.591   3.362
  158   2HB   LEU  27          1HB       LEU  27   7.679   6.744   2.042
  159    HG   LEU  27           HG       LEU  27   8.424   7.385   4.898
  160   1HD1  LEU  27          1HD1      LEU  27  10.686   7.522   4.131
  161   2HD1  LEU  27          2HD1      LEU  27  10.192   7.218   2.466
  162   3HD1  LEU  27          3HD1      LEU  27  10.045   5.943   3.676
  163   1HD2  LEU  27          1HD2      LEU  27   7.365   9.152   3.245
  164   2HD2  LEU  27          2HD2      LEU  27   9.005   9.174   2.596
  165   3HD2  LEU  27          3HD2      LEU  27   8.723   9.568   4.292
  166    HA   PRO  28           HA       PRO  28   2.760   5.390   1.408
  167   1HB   PRO  28          2HB       PRO  28   3.057   6.965  -1.020
  168   2HB   PRO  28          1HB       PRO  28   1.675   6.832   0.064
  169   1HG   PRO  28          2HG       PRO  28   3.198   9.078  -0.119
  170   2HG   PRO  28          1HG       PRO  28   2.347   8.598   1.360
  171   1HD   PRO  28          2HD       PRO  28   5.240   8.348   0.669
  172   2HD   PRO  28          1HD       PRO  28   4.476   8.702   2.231
  173    H    VAL  29           H        VAL  29   2.717   3.648   0.170
  174    HA   VAL  29           HA       VAL  29   5.137   2.975  -1.332
  175    HB   VAL  29           HB       VAL  29   2.832   1.178  -0.515
  176   1HG1  VAL  29          1HG1      VAL  29   5.327  -0.147  -1.077
  177   2HG1  VAL  29          2HG1      VAL  29   4.805   0.804  -2.467
  178   3HG1  VAL  29          3HG1      VAL  29   3.733  -0.417  -1.779
  179   1HG2  VAL  29          1HG2      VAL  29   4.012   1.930   1.447
  180   2HG2  VAL  29          2HG2      VAL  29   5.567   1.554   0.704
  181   3HG2  VAL  29          3HG2      VAL  29   4.451   0.253   1.121
  Start of MODEL   20
    1    H    ALA   1           H        ALA   1   5.891   1.994  -2.819
    2    HA   ALA   1           HA       ALA   1   4.099   2.936  -4.770
    3   1HB   ALA   1          1HB       ALA   1   5.873   2.903  -6.149
    4   2HB   ALA   1          2HB       ALA   1   6.306   1.248  -5.723
    5   3HB   ALA   1          3HB       ALA   1   6.778   2.582  -4.670
    6    H    GLY   2           H        GLY   2   2.483   1.968  -5.741
    7   1HA   GLY   2          2HA       GLY   2   1.174   0.361  -6.721
    8   2HA   GLY   2          1HA       GLY   2   2.590  -0.678  -6.750
    9    H    GLU   3           H        GLU   3   1.203   0.708  -3.828
   10    HA   GLU   3           HA       GLU   3   0.203  -1.959  -3.102
   11   1HB   GLU   3          2HB       GLU   3   2.406  -1.406  -2.012
   12   2HB   GLU   3          1HB       GLU   3   1.603  -0.073  -1.206
   13   1HG   GLU   3          2HG       GLU   3   1.805  -1.973   0.262
   14   2HG   GLU   3          1HG       GLU   3   0.112  -1.633  -0.090
   15    H    THR   4           H        THR   4  -1.898  -1.815  -2.867
   16    HA   THR   4           HA       THR   4  -3.029   0.664  -1.773
   17    HB   THR   4           HB       THR   4  -5.176  -0.038  -2.806
   18    HG1  THR   4           HG1      THR   4  -3.772  -2.292  -3.273
   19   1HG2  THR   4          1HG2      THR   4  -3.232   0.044  -5.057
   20   2HG2  THR   4          2HG2      THR   4  -3.222   1.385  -3.909
   21   3HG2  THR   4          3HG2      THR   4  -4.697   0.990  -4.792
   22    H    CYS   5           H        CYS   5  -4.740   0.522  -0.285
   23    HA   CYS   5           HA       CYS   5  -4.861  -2.067   1.117
   24   1HB   CYS   5          2HB       CYS   5  -3.665  -0.186   2.343
   25   2HB   CYS   5          1HB       CYS   5  -5.221   0.637   2.423
   26    H    VAL   6           H        VAL   6  -6.553  -1.414  -0.987
   27    HA   VAL   6           HA       VAL   6  -9.000  -0.267  -0.190
   28    HB   VAL   6           HB       VAL   6  -8.645  -2.399  -2.299
   29   1HG1  VAL   6          1HG1      VAL   6 -10.566  -0.342  -2.886
   30   2HG1  VAL   6          2HG1      VAL   6 -10.934  -1.112  -1.342
   31   3HG1  VAL   6          3HG1      VAL   6 -10.785  -2.091  -2.802
   32   1HG2  VAL   6          1HG2      VAL   6  -7.207  -0.153  -2.311
   33   2HG2  VAL   6          2HG2      VAL   6  -8.692   0.470  -3.030
   34   3HG2  VAL   6          3HG2      VAL   6  -7.845  -0.880  -3.786
   35    H    GLY   7           H        GLY   7  -7.800  -3.579  -0.117
   36   1HA   GLY   7          2HA       GLY   7 -10.280  -4.606   0.977
   37   2HA   GLY   7          1HA       GLY   7  -8.824  -5.522   0.643
   38    H    GLY   8           H        GLY   8  -7.990  -2.825   2.296
   39   1HA   GLY   8          2HA       GLY   8  -7.610  -2.312   4.524
   40   2HA   GLY   8          1HA       GLY   8  -8.601  -3.689   4.965
   41    H    THR   9           H        THR   9  -6.171  -4.458   2.762
   42    HA   THR   9           HA       THR   9  -4.172  -5.086   4.783
   43    HB   THR   9           HB       THR   9  -3.980  -7.441   3.836
   44    HG1  THR   9           HG1      THR   9  -5.533  -6.850   2.070
   45   1HG2  THR   9          1HG2      THR   9  -6.179  -8.155   5.149
   46   2HG2  THR   9          2HG2      THR   9  -6.114  -6.469   5.662
   47   3HG2  THR   9          3HG2      THR   9  -4.752  -7.541   5.983
   48    H    CYS  10           H        CYS  10  -2.111  -5.209   3.971
   49    HA   CYS  10           HA       CYS  10  -1.804  -4.619   1.103
   50   1HB   CYS  10          2HB       CYS  10   0.368  -4.234   3.137
   51   2HB   CYS  10          1HB       CYS  10   0.187  -3.472   1.571
   52    H    ASN  11           H        ASN  11   0.162  -5.484   0.108
   53    HA   ASN  11           HA       ASN  11   0.491  -8.300   0.784
   54   1HB   ASN  11          2HB       ASN  11   0.120  -7.792  -1.552
   55   2HB   ASN  11          1HB       ASN  11   1.426  -6.613  -1.553
   56   1HD2  ASN  11          1HD2      ASN  11   3.237  -7.275  -2.413
   57   2HD2  ASN  11          2HD2      ASN  11   3.783  -8.910  -2.519
   58    H    THR  12           H        THR  12   2.241  -5.299   0.658
   59    HA   THR  12           HA       THR  12   4.849  -6.285   1.112
   60    HB   THR  12           HB       THR  12   3.724  -3.575   1.850
   61    HG1  THR  12           HG1      THR  12   3.371  -4.051  -0.363
   62   1HG2  THR  12          1HG2      THR  12   5.801  -3.432   2.761
   63   2HG2  THR  12          2HG2      THR  12   6.257  -3.108   1.090
   64   3HG2  THR  12          3HG2      THR  12   6.449  -4.729   1.758
   65    HA   PRO  13           HA       PRO  13   4.388  -7.507   5.375
   66   1HB   PRO  13          2HB       PRO  13   7.063  -7.785   5.900
   67   2HB   PRO  13          1HB       PRO  13   6.082  -9.008   5.085
   68   1HG   PRO  13          2HG       PRO  13   7.924  -6.965   3.916
   69   2HG   PRO  13          1HG       PRO  13   7.688  -8.661   3.459
   70   1HD   PRO  13          2HD       PRO  13   6.598  -6.634   2.054
   71   2HD   PRO  13          1HD       PRO  13   5.785  -8.202   2.234
   72    H    GLY  14           H        GLY  14   4.194  -6.366   7.150
   73   1HA   GLY  14          2HA       GLY  14   4.475  -4.754   8.759
   74   2HA   GLY  14          1HA       GLY  14   6.076  -4.466   8.097
   75    H    ALA  15           H        ALA  15   3.179  -4.173   6.156
   76    HA   ALA  15           HA       ALA  15   3.770  -1.330   5.835
   77   1HB   ALA  15          1HB       ALA  15   1.617  -2.298   4.175
   78   2HB   ALA  15          2HB       ALA  15   3.049  -3.318   4.024
   79   3HB   ALA  15          3HB       ALA  15   3.163  -1.586   3.711
   80    H    THR  16           H        THR  16   2.401   0.259   6.414
   81    HA   THR  16           HA       THR  16   0.173  -0.461   8.140
   82    HB   THR  16           HB       THR  16   0.951   2.362   7.519
   83    HG1  THR  16           HG1      THR  16   2.573   0.444   8.608
   84   1HG2  THR  16          1HG2      THR  16   0.178   2.814   9.712
   85   2HG2  THR  16          2HG2      THR  16   0.206   1.106  10.151
   86   3HG2  THR  16          3HG2      THR  16  -0.997   1.702   9.008
   87    H    CYS  17           H        CYS  17  -1.933   0.309   7.790
   88    HA   CYS  17           HA       CYS  17  -2.618   0.540   4.993
   89   1HB   CYS  17          2HB       CYS  17  -3.874  -0.969   6.522
   90   2HB   CYS  17          1HB       CYS  17  -4.458   0.449   7.386
   91    H    SER  18           H        SER  18  -3.399   2.251   3.980
   92    HA   SER  18           HA       SER  18  -4.206   4.641   5.432
   93   1HB   SER  18          2HB       SER  18  -2.099   4.657   3.254
   94   2HB   SER  18          1HB       SER  18  -2.762   6.080   4.058
   95    HG   SER  18           HG       SER  18  -1.935   4.538   5.985
   96    H    TRP  19           H        TRP  19  -6.017   3.183   4.519
   97    HA   TRP  19           HA       TRP  19  -6.810   2.676   2.079
   98   1HB   TRP  19          2HB       TRP  19  -8.168   2.775   4.340
   99   2HB   TRP  19          1HB       TRP  19  -8.813   4.253   3.629
  100    HD1  TRP  19           HD1      TRP  19  -8.876   0.470   3.247
  101    HE1  TRP  19           HE1      TRP  19 -10.698  -0.186   1.553
  102    HE3  TRP  19           HE3      TRP  19 -10.101   5.125   1.544
  103    HZ2  TRP  19           HZ2      TRP  19 -12.426   1.102  -0.264
  104    HZ3  TRP  19           HZ3      TRP  19 -11.853   5.331  -0.174
  105    HH2  TRP  19           HH2      TRP  19 -12.992   3.359  -1.058
  106    HA   PRO  20           HA       PRO  20  -7.531   2.457   0.523
  107   1HB   PRO  20          2HB       PRO  20  -7.661   2.663  -2.099
  108   2HB   PRO  20          1HB       PRO  20  -8.980   3.252  -1.087
  109   1HG   PRO  20          2HG       PRO  20  -6.874   4.791  -2.525
  110   2HG   PRO  20          1HG       PRO  20  -8.569   5.215  -2.229
  111   1HD   PRO  20          2HD       PRO  20  -6.313   6.055  -0.730
  112   2HD   PRO  20          1HD       PRO  20  -8.021   6.296  -0.313
  113    H    VAL  21           H        VAL  21  -4.842   3.887   0.920
  114    HA   VAL  21           HA       VAL  21  -3.324   2.110  -0.887
  115    HB   VAL  21           HB       VAL  21  -1.449   3.793  -0.799
  116   1HG1  VAL  21          1HG1      VAL  21  -2.267   5.026  -2.673
  117   2HG1  VAL  21          2HG1      VAL  21  -3.942   4.779  -2.176
  118   3HG1  VAL  21          3HG1      VAL  21  -2.980   3.414  -2.746
  119   1HG2  VAL  21          1HG2      VAL  21  -1.748   5.427   0.709
  120   2HG2  VAL  21          2HG2      VAL  21  -3.505   5.264   0.689
  121   3HG2  VAL  21          3HG2      VAL  21  -2.690   6.194  -0.570
  122    H    CYS  22           H        CYS  22  -0.886   2.077  -0.053
  123    HA   CYS  22           HA       CYS  22  -1.028   1.524   2.844
  124   1HB   CYS  22          2HB       CYS  22   0.413  -0.003   0.671
  125   2HB   CYS  22          1HB       CYS  22   0.669  -0.274   2.394
  126    H    THR  23           H        THR  23   0.717   2.056   4.119
  127    HA   THR  23           HA       THR  23   2.952   3.461   2.825
  128    HB   THR  23           HB       THR  23   2.907   5.125   4.721
  129    HG1  THR  23           HG1      THR  23   0.204   4.722   5.166
  130   1HG2  THR  23          1HG2      THR  23   2.145   6.005   2.692
  131   2HG2  THR  23          2HG2      THR  23   0.826   6.356   3.809
  132   3HG2  THR  23          3HG2      THR  23   0.696   5.000   2.688
  133    H    ARG  24           H        ARG  24   4.870   3.575   4.144
  134    HA   ARG  24           HA       ARG  24   4.920   1.996   6.575
  135   1HB   ARG  24          2HB       ARG  24   5.313   0.384   4.671
  136   2HB   ARG  24          1HB       ARG  24   6.768   1.293   4.285
  137   1HG   ARG  24          2HG       ARG  24   7.766   0.727   6.376
  138   2HG   ARG  24          1HG       ARG  24   6.262   0.016   6.962
  139   1HD   ARG  24          2HD       ARG  24   7.757  -1.747   6.309
  140   2HD   ARG  24          1HD       ARG  24   6.417  -1.681   5.167
  141    HE   ARG  24           HE       ARG  24   8.528  -0.126   4.174
  142   1HH1  ARG  24          1HH1      ARG  24   7.719  -3.474   4.793
  143   2HH1  ARG  24          2HH1      ARG  24   8.760  -4.090   3.552
  144   1HH2  ARG  24          1HH2      ARG  24   9.906  -0.931   2.525
  145   2HH2  ARG  24          2HH2      ARG  24  10.008  -2.639   2.256
  146    H    ASN  25           H        ASN  25   6.267   2.889   7.990
  147    HA   ASN  25           HA       ASN  25   7.726   4.335   8.942
  148   1HB   ASN  25          2HB       ASN  25   9.174   3.921   6.321
  149   2HB   ASN  25          1HB       ASN  25   9.842   4.859   7.651
  150   1HD2  ASN  25          1HD2      ASN  25  11.210   3.782   8.853
  151   2HD2  ASN  25          2HD2      ASN  25  11.183   2.083   9.165
  152    H    GLY  26           H        GLY  26   5.456   5.348   7.473
  153   1HA   GLY  26          2HA       GLY  26   4.575   7.451   7.135
  154   2HA   GLY  26          1HA       GLY  26   6.157   8.124   7.496
  155    H    LEU  27           H        LEU  27   6.095   5.720   5.065
  156    HA   LEU  27           HA       LEU  27   6.037   7.769   2.953
  157   1HB   LEU  27          2HB       LEU  27   8.371   7.096   3.516
  158   2HB   LEU  27          1HB       LEU  27   7.957   5.438   3.127
  159    HG   LEU  27           HG       LEU  27   7.440   6.208   0.787
  160   1HD1  LEU  27          1HD1      LEU  27   8.476   8.359   0.104
  161   2HD1  LEU  27          2HD1      LEU  27   8.704   8.744   1.809
  162   3HD1  LEU  27          3HD1      LEU  27   7.077   8.549   1.160
  163   1HD2  LEU  27          1HD2      LEU  27  10.268   6.726   1.687
  164   2HD2  LEU  27          2HD2      LEU  27   9.731   6.199   0.093
  165   3HD2  LEU  27          3HD2      LEU  27   9.570   5.121   1.479
  166    HA   PRO  28           HA       PRO  28   2.954   4.984   1.374
  167   1HB   PRO  28          2HB       PRO  28   3.437   6.237  -1.228
  168   2HB   PRO  28          1HB       PRO  28   1.961   6.188  -0.266
  169   1HG   PRO  28          2HG       PRO  28   3.423   8.446  -0.562
  170   2HG   PRO  28          1HG       PRO  28   2.491   8.090   0.902
  171   1HD   PRO  28          2HD       PRO  28   5.428   7.903   0.428
  172   2HD   PRO  28          1HD       PRO  28   4.545   8.351   1.902
  173    H    VAL  29           H        VAL  29   2.945   3.083   0.337
  174    HA   VAL  29           HA       VAL  29   5.487   2.156  -0.730
  175    HB   VAL  29           HB       VAL  29   2.950   0.573  -0.207
  176   1HG1  VAL  29          1HG1      VAL  29   5.067  -0.140  -1.776
  177   2HG1  VAL  29          2HG1      VAL  29   4.023  -1.274  -0.918
  178   3HG1  VAL  29          3HG1      VAL  29   5.559  -0.777  -0.207
  179   1HG2  VAL  29          1HG2      VAL  29   4.842   1.668   1.617
  180   2HG2  VAL  29          2HG2      VAL  29   5.041  -0.084   1.593
  181   3HG2  VAL  29          3HG2      VAL  29   3.464   0.618   1.951