*HEADER    HORMONE                                 25-NOV-08   2KBC              
*TITLE     SOLUTION STRUCTURE OF HUMAN INSULIN-LIKE PEPTIDE 5 (INSL5)            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INSL5_B-CHAIN;                                             
*COMPND   3 CHAIN: B;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: INSL5_A-CHAIN;                                             
*COMPND   7 CHAIN: A;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: PEPTIDE CHAIN WAS ASSEMBLED USING FMOC                
*SOURCE   4 SOLID PHASE PEPTIDE SYNTHESIS AND COMBINED WITH THE A-               
*SOURCE   5 CHAIN USING REGIOSELECTIVE DISULFIDE BOND FORMATION;                 
*SOURCE   6 MOL_ID: 2;                                                           
*SOURCE   7 SYNTHETIC: YES;                                                      
*SOURCE   8 OTHER_DETAILS: PEPTIDE CHAIN WAS ASSEMBLED USING FMOC                
*SOURCE   9 SOLID PHASE PEPTIDE SYNTHESIS AND COMBINED WITH THE B-               
*SOURCE  10 CHAIN USING REGIOSELECTIVE DISULFIDE BOND FORMATION                  
*KEYWDS    PEPTIDE HORMONE, RELAXIN, INSULIN-LIKE FOLD                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.J.ROSENGREN, L.M.HAUGAARD-JONSSON                                   
*REVDAT   1   24-MAR-09 2KBC    0                                                


! Restraints for INSL5 - OBS! Residues 1-24 in the B-chain are referred to as residues 101-124.

!phi angles 
 !!    Asp 2
assign (resid   1 and name C )   (resid  2 and name N ) 
       (resid   2 and name CA)   (resid  2 and name C )    1  -100.0   80.0  2  
 !!    Leu 3
assign (resid   2 and name C )   (resid  3 and name N ) 
       (resid   3 and name CA)   (resid  3 and name C )    1  -100.0   80.0  2 
 !!    Gln 4
assign (resid   3 and name C )   (resid  4 and name N ) 
       (resid   4 and name CA)   (resid  4 and name C )    1  -100.0   80.0  2  
 !!    Asp 10 
assign (resid   9 and name C )   (resid  10 and name N ) 
       (resid   10 and name CA)   (resid  10 and name C )    1  -100.0   80.0  2 
 !!    Ser 13
assign (resid   12 and name C )   (resid  13 and name N ) 
       (resid   13 and name CA)   (resid  13 and name C )    1  -100.0   80.0  2 
 !!    Met 14 
assign (resid   13 and name C )   (resid  14 and name N ) 
       (resid   14 and name CA)   (resid  14 and name C )    1  -100.0   80.0  2  
 !!    Asp 16 
assign (resid   15 and name C )   (resid  16 and name N ) 
       (resid   16 and name CA)   (resid  16 and name C )    1  -100.0   80.0  2 
 !!    Glu 102
assign (resid   101 and name C )   (resid  102 and name N ) 
       (resid   102 and name CA)   (resid  102 and name C )    1  -100.0   80.0  2 
 !!    Ser 103
assign (resid   102 and name C )   (resid  103 and name N ) 
       (resid   103 and name CA)   (resid  103 and name C )    1  -100.0   80.0  2 
 !!    Val 104
assign (resid   103 and name C )   (resid  104 and name N ) 
       (resid   104 and name CA)   (resid  104 and name C )    1  -100.0   80.0  2  
 !!    Arg 105
assign (resid   104 and name C )   (resid  105 and name N ) 
       (resid   105 and name CA)   (resid  105 and name C )    1  -100.0   80.0  2
 !!    Leu 106
assign (resid   105 and name C )   (resid  106 and name N ) 
       (resid   106 and name CA)   (resid  106 and name C )    1  -100.0   80.0  2  
 !!    Cys 107
assign (resid   106 and name C )   (resid  107 and name N ) 
       (resid   107 and name CA)   (resid  107 and name C )    1  -100.0   80.0  2  
 !!    Leu 109 
assign (resid   108 and name C )   (resid  109 and name N ) 
       (resid   109 and name CA)   (resid  109 and name C )    1  -100.0   80.0  2 
 !!    Val 115 
assign (resid   114 and name C )   (resid  115 and name N ) 
       (resid   115 and name CA)   (resid  115 and name C )    1  -100.0   80.0  2 
 !!    Ser 121 
assign (resid   120 and name C )   (resid  121 and name N ) 
       (resid   121 and name CA)   (resid  121 and name C )    1  -100.0   80.0  2 

!chi Angles
  !!   Asp 10  
assign (resid   10 and name N )  (resid  10 and name CA) 
       (resid   10 and name CB)  (resid  10 and name CG)   1    -120.0   90.0  2
  !!   Met 14  
assign (resid   14 and name N )  (resid  14 and name CA) 
       (resid   14 and name CB)  (resid  14 and name CG)   1    -180.0   30.0  2
  !!   Asp 16  
assign (resid   16 and name N )  (resid  16 and name CA) 
       (resid   16 and name CB)  (resid  16 and name CG)   1    -60.0   30.0  2
  !!   Cys 21  
assign (resid   21 and name N )  (resid  21 and name CA) 
       (resid   21 and name CB)  (resid  21 and name SG)   1    -60.0   30.0  2
  !!   Cys 107  
assign (resid   107 and name N )  (resid  107 and name CA) 
       (resid   107 and name CB)  (resid  107 and name SG)   1   -60.0   30.0  2  
  !!   Glu 110  
assign (resid   110 and name N )  (resid  110 and name CA) 
       (resid   110 and name CB)  (resid  110 and name CG)   1   -60.0   30.0  2
  !!   Val 115 
assign (resid   115 and name HA)  (resid  115 and name CA) 
       (resid   115 and name CB)  (resid  115 and name HB)   1   -180.0   30.0  2
  !!   Cys 119  
assign (resid   119 and name N )  (resid  119 and name CA) 
       (resid   119 and name CB)  (resid  119 and name SG)   1   -60.0   30.0  2  
  !!   Trp 124  
assign (resid   124 and name N )  (resid  124 and name CA) 
       (resid   124 and name CB)  (resid  124 and name CG)   1   -60.0   30.0  2 

!NOE distances
assign (resid   1 and name   HA)   (resid   2 and name  HB#)   3.765    1.965    1.965  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   2.630    0.830    0.830  
assign (resid   1 and name  HB1)   (resid   2 and name   HN)   3.075    1.275    1.275  
assign (resid   1 and name  HB1)   (resid   5 and name HG2#)   3.745    1.945    1.945  
assign (resid   1 and name  HB2)   (resid   2 and name   HN)   3.075    1.275    1.275  
assign (resid   1 and name  HB2)   (resid   5 and name HG2#)   3.745    1.945    1.945  
assign (resid   1 and name  HB#)   (resid   5 and name HG2#)   3.635    1.835    1.835  
assign (resid   1 and name  HG#)   (resid   2 and name   HN)   4.090    2.290    2.290  
assign (resid   1 and name  HG#)   (resid   5 and name HG2#)   4.600    2.800    2.800  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   3.080    1.280    1.280  
assign (resid   1 and name   HN)   (resid   6 and name   HA)   2.845    1.045    1.045  
assign (resid   1 and name   HN)   (resid   6 and name  HB#)   4.090    2.290    2.290  
assign (resid   1 and name   HN)   (resid   6 and name HD1#)   4.165    2.365    2.365  
assign (resid   1 and name   HN)   (resid   6 and name HD2#)   4.165    2.365    2.365  
assign (resid   1 and name   HN)   (resid   6 and name  HD#)   3.925    2.125    2.125  
assign (resid   1 and name   HN)   (resid   6 and name   HG)   3.650    1.850    1.850  
assign (resid   2 and name   HA)   (resid   3 and name  HD#)   4.685    2.885    2.885  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.195    0.395    0.395  
assign (resid   2 and name   HA)   (resid   5 and name   HB)   2.860    1.060    1.060  
assign (resid   2 and name  HB#)   (resid   3 and name HD1#)   4.600    2.800    2.800  
assign (resid   2 and name  HB#)   (resid   3 and name HD2#)   4.600    2.800    2.800  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.895    1.095    1.095  
assign (resid   2 and name  HB#)   (resid   5 and name   HB)   3.670    1.870    1.870  
assign (resid   2 and name  HB#)   (resid   5 and name HG2#)   4.555    2.755    2.755  
assign (resid   3 and name   HA)   (resid 111 and name  HE#)   4.715    2.915    2.915  
assign (resid   3 and name  HB#)   (resid 111 and name  HE#)   4.765    2.965    2.965  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   3.455    1.655    1.655  
assign (resid   3 and name HD1#)   (resid 111 and name  HE#)   5.230    3.430    3.430  
assign (resid   3 and name HD1#)   (resid  16 and name   HA)   3.855    2.055    2.055  
assign (resid   3 and name HD1#)   (resid  16 and name  HB1)   3.000    1.200    1.200  
assign (resid   3 and name HD1#)   (resid  16 and name  HB2)   3.295    1.495    1.495  
assign (resid   3 and name HD1#)   (resid  17 and name   HA)   3.280    1.480    1.480  
assign (resid   3 and name HD1#)   (resid   4 and name   HN)   4.165    2.365    2.365  
assign (resid   3 and name HD2#)   (resid 111 and name  HE#)   5.230    3.430    3.430  
assign (resid   3 and name HD2#)   (resid  16 and name   HA)   3.855    2.055    2.055  
assign (resid   3 and name HD2#)   (resid  16 and name  HB1)   3.000    1.200    1.200  
assign (resid   3 and name HD2#)   (resid  16 and name  HB2)   3.295    1.495    1.495  
assign (resid   3 and name HD2#)   (resid  17 and name   HA)   3.280    1.480    1.480  
assign (resid   3 and name HD2#)   (resid   4 and name   HN)   4.165    2.365    2.365  
assign (resid   3 and name  HD#)   (resid 111 and name  HE#)   4.930    3.130    3.130  
assign (resid   3 and name  HD#)   (resid  16 and name   HA)   3.400    1.600    1.600  
assign (resid   3 and name  HD#)   (resid  16 and name  HB1)   2.815    1.015    1.015  
assign (resid   3 and name  HD#)   (resid  16 and name  HB2)   3.050    1.250    1.250  
assign (resid   3 and name  HD#)   (resid  17 and name   HA)   2.860    1.060    1.060  
assign (resid   3 and name   HG)   (resid 111 and name  HD#)   4.425    2.625    2.625  
assign (resid   3 and name   HG)   (resid 111 and name  HE#)   4.670    2.870    2.870  
assign (resid   3 and name   HG)   (resid   4 and name   HN)   3.355    1.555    1.555  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   2.395    0.595    0.595  
assign (resid   4 and name   HA)   (resid 111 and name  HD#)   4.720    2.920    2.920  
assign (resid   4 and name   HA)   (resid 111 and name  HE#)   4.360    2.560    2.560  
assign (resid   4 and name  HB#)   (resid 111 and name  HD#)   5.140    3.340    3.340  
assign (resid   4 and name  HB#)   (resid 111 and name  HE#)   5.155    3.355    3.355  
assign (resid   4 and name  HB#)   (resid 112 and name   HN)   3.455    1.655    1.655  
assign (resid   4 and name  HG#)   (resid 111 and name  HD#)   5.035    3.235    3.235  
assign (resid   4 and name  HG#)   (resid 111 and name  HE#)   5.140    3.340    3.340  
assign (resid   4 and name  HG#)   (resid 112 and name   HN)   3.920    2.120    2.120  
assign (resid   4 and name  HG#)   (resid   5 and name   HN)   3.145    1.345    1.345  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   2.470    0.670    0.670  
assign (resid   5 and name   HA)   (resid   8 and name  HB#)   3.300    1.500    1.500  
assign (resid   5 and name HG2#)   (resid   6 and name   HN)   4.165    2.365    2.365  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.455    0.655    0.655  
assign (resid   6 and name  HB1)   (resid  10 and name  HB1)   3.650    1.850    1.850  
assign (resid   6 and name  HB1)   (resid  10 and name  HB2)   3.650    1.850    1.850  
assign (resid   6 and name  HB1)   (resid  10 and name   HN)   3.310    1.510    1.510  
assign (resid   6 and name  HB1)   (resid   9 and name HG2#)   3.915    2.115    2.115  
assign (resid   6 and name  HB2)   (resid  10 and name  HB1)   3.650    1.850    1.850  
assign (resid   6 and name  HB2)   (resid  10 and name  HB2)   3.650    1.850    1.850  
assign (resid   6 and name  HB2)   (resid  10 and name   HN)   3.310    1.510    1.510  
assign (resid   6 and name  HB2)   (resid   9 and name HG2#)   3.915    2.115    2.115  
assign (resid   6 and name  HB#)   (resid  10 and name   HN)   3.095    1.295    1.295  
assign (resid   6 and name  HB#)   (resid   9 and name HG2#)   3.835    2.035    2.035  
assign (resid   6 and name HD1#)   (resid  10 and name   HA)   3.700    1.900    1.900  
assign (resid   6 and name HD1#)   (resid  10 and name  HB1)   3.575    1.775    1.775  
assign (resid   6 and name HD1#)   (resid  10 and name  HB2)   3.575    1.775    1.775  
assign (resid   6 and name HD1#)   (resid  10 and name   HN)   3.995    2.195    2.195  
assign (resid   6 and name HD2#)   (resid  10 and name   HA)   3.700    1.900    1.900  
assign (resid   6 and name HD2#)   (resid  10 and name  HB1)   3.575    1.775    1.775  
assign (resid   6 and name HD2#)   (resid  10 and name  HB2)   3.575    1.775    1.775  
assign (resid   6 and name HD2#)   (resid  10 and name   HN)   3.995    2.195    2.195  
assign (resid   6 and name  HD#)   (resid  10 and name   HA)   3.545    1.745    1.745  
assign (resid   6 and name  HD#)   (resid  10 and name  HB#)   3.120    1.320    1.320  
assign (resid   6 and name  HD#)   (resid  10 and name   HN)   3.815    2.015    2.015  
assign (resid   6 and name   HG)   (resid  10 and name  HB1)   3.650    1.850    1.850  
assign (resid   6 and name   HG)   (resid  10 and name  HB2)   3.650    1.850    1.850  
assign (resid   6 and name   HG)   (resid  10 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name   HG)   (resid   9 and name HG2#)   3.420    1.620    1.620  
assign (resid   7 and name  HB1)   (resid 106 and name HD1#)   4.605    2.805    2.805  
assign (resid   7 and name  HB1)   (resid 106 and name HD2#)   4.605    2.805    2.805  
assign (resid   7 and name  HB1)   (resid 106 and name   HN)   3.620    1.820    1.820  
assign (resid   7 and name  HB2)   (resid 106 and name HD1#)   4.605    2.805    2.805  
assign (resid   7 and name  HB2)   (resid 106 and name HD2#)   4.605    2.805    2.805  
assign (resid   7 and name  HB2)   (resid 106 and name   HN)   3.620    1.820    1.820  
assign (resid   7 and name  HB#)   (resid 106 and name  HB2)   3.050    1.250    1.250  
assign (resid   7 and name  HB#)   (resid 106 and name  HD#)   3.865    2.065    2.065  
assign (resid   7 and name  HB#)   (resid 106 and name   HN)   3.220    1.420    1.420  
assign (resid   7 and name  HB#)   (resid 111 and name  HD#)   4.660    2.860    2.860  
assign (resid   7 and name  HB#)   (resid 111 and name  HE#)   5.155    3.355    3.355  
assign (resid   8 and name   HA)   (resid 105 and name  HB#)   4.075    2.275    2.275  
assign (resid   8 and name   HA)   (resid 105 and name  HG1)   3.245    1.445    1.445  
assign (resid   8 and name   HA)   (resid 105 and name  HG2)   3.245    1.445    1.445  
assign (resid   8 and name   HA)   (resid 105 and name  HG#)   2.980    1.180    1.180  
assign (resid   8 and name   HA)   (resid 106 and name   HN)   2.970    1.170    1.170  
assign (resid   8 and name  HB1)   (resid 107 and name   HA)   3.200    1.400    1.400  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   3.480    1.680    1.680  
assign (resid   8 and name  HB2)   (resid 107 and name   HA)   3.200    1.400    1.400  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   3.480    1.680    1.680  
assign (resid   8 and name  HB#)   (resid 107 and name   HA)   3.000    1.200    1.200  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   3.190    1.390    1.390  
assign (resid   9 and name   HB)   (resid  10 and name  HB#)   3.670    1.870    1.870  
assign (resid   9 and name   HB)   (resid  10 and name   HN)   2.595    0.795    0.795  
assign (resid   9 and name HG2#)   (resid  10 and name   HA)   4.165    2.365    2.365  
assign (resid   9 and name HG2#)   (resid  10 and name   HN)   3.870    2.070    2.070  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   3.420    1.620    1.620  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   3.420    1.620    1.620  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   3.085    1.285    1.285  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.325    0.525    0.525  
assign (resid  11 and name  HA#)   (resid 103 and name  HB1)   4.090    2.290    2.290  
assign (resid  11 and name  HA#)   (resid 103 and name  HB2)   4.090    2.290    2.290  
assign (resid  12 and name   HA)   (resid 103 and name  HB1)   3.650    1.850    1.850  
assign (resid  12 and name   HA)   (resid 103 and name  HB2)   3.650    1.850    1.850  
assign (resid  12 and name   HA)   (resid 104 and name  HG*)   4.635    2.835    2.835  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.365    0.565    0.565  
assign (resid  12 and name  HB#)   (resid  13 and name   HN)   3.840    2.040    2.040  
assign (resid  13 and name   HA)   (resid 104 and name  HG*)   4.310    2.510    2.510  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.180    0.380    0.380  
assign (resid  13 and name   HA)   (resid  15 and name   HN)   3.325    1.525    1.525  
assign (resid  13 and name  HB#)   (resid  15 and name   HN)   3.300    1.500    1.500  
assign (resid  13 and name   HN)   (resid  16 and name  HB1)   3.310    1.510    1.510  
assign (resid  13 and name   HN)   (resid  16 and name  HB2)   2.860    1.060    1.060  
assign (resid  13 and name   HN)   (resid  16 and name   HN)   3.510    1.710    1.710  
assign (resid  14 and name   HA)   (resid 118 and name HD1#)   3.310    1.510    1.510  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.580    0.780    0.780  
assign (resid  14 and name   HA)   (resid  17 and name  HB#)   3.020    1.220    1.220  
assign (resid  14 and name   HA)   (resid  17 and name HD1#)   2.845    1.045    1.045  
assign (resid  14 and name   HA)   (resid  17 and name HD2#)   2.845    1.045    1.045  
assign (resid  14 and name  HB1)   (resid 104 and name  HG*)   3.985    2.185    2.185  
assign (resid  14 and name  HB1)   (resid 118 and name HD1#)   4.165    2.365    2.365  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   2.640    0.840    0.840  
assign (resid  14 and name  HB1)   (resid  17 and name  HD#)   4.470    2.670    2.670  
assign (resid  14 and name  HB2)   (resid 118 and name HD1#)   3.015    1.215    1.215  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   2.690    0.890    0.890  
assign (resid  14 and name  HB2)   (resid  17 and name  HD#)   3.710    1.910    1.910  
assign (resid  14 and name  HG1)   (resid 104 and name  HG*)   4.340    2.540    2.540  
assign (resid  14 and name  HG1)   (resid  15 and name   HN)   3.650    1.850    1.850  
assign (resid  14 and name  HG1)   (resid  17 and name HD1#)   4.620    2.820    2.820  
assign (resid  14 and name  HG1)   (resid  17 and name HD2#)   4.620    2.820    2.820  
assign (resid  14 and name  HG2)   (resid 104 and name  HG*)   4.340    2.540    2.540  
assign (resid  14 and name  HG2)   (resid  15 and name   HN)   3.650    1.850    1.850  
assign (resid  14 and name  HG2)   (resid  17 and name HD1#)   4.620    2.820    2.820  
assign (resid  14 and name  HG2)   (resid  17 and name HD2#)   4.620    2.820    2.820  
assign (resid  14 and name  HG#)   (resid 104 and name  HG*)   4.210    2.410    2.410  
assign (resid  14 and name  HG#)   (resid 118 and name HD1#)   3.920    2.120    2.120  
assign (resid  14 and name  HG#)   (resid  17 and name  HD#)   3.780    1.980    1.980  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.485    0.685    0.685  
assign (resid  15 and name   HA)   (resid  18 and name  HB#)   3.175    1.375    1.375  
assign (resid  15 and name   HB)   (resid  16 and name   HN)   2.975    1.175    1.175  
assign (resid  15 and name HG2#)   (resid  16 and name   HA)   3.840    2.040    2.040  
assign (resid  15 and name HG2#)   (resid  16 and name   HN)   4.010    2.210    2.210  
assign (resid  15 and name HG2#)   (resid  18 and name  HB1)   4.165    2.365    2.365  
assign (resid  15 and name HG2#)   (resid  18 and name  HB2)   4.165    2.365    2.365  
assign (resid  15 and name HG2#)   (resid  18 and name  HB#)   3.915    2.115    2.115  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.675    0.875    0.875  
assign (resid  16 and name   HA)   (resid  19 and name  HB#)   3.420    1.620    1.620  
assign (resid  16 and name   HA)   (resid  19 and name   HN)   3.650    1.850    1.850  
assign (resid  16 and name  HB1)   (resid  17 and name   HN)   3.295    1.495    1.495  
assign (resid  16 and name  HB2)   (resid  17 and name   HN)   3.650    1.850    1.850  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.300    0.500    0.500  
assign (resid  17 and name   HA)   (resid 111 and name  HE#)   4.715    2.915    2.915  
assign (resid  17 and name   HA)   (resid 115 and name HG1#)   4.165    2.365    2.365  
assign (resid  17 and name   HA)   (resid 115 and name HG2#)   4.165    2.365    2.365  
assign (resid  17 and name   HA)   (resid  20 and name  HB#)   2.785    0.985    0.985  
assign (resid  17 and name   HA)   (resid  20 and name HD1#)   3.125    1.325    1.325  
assign (resid  17 and name   HA)   (resid  20 and name HD2#)   3.125    1.325    1.325  
assign (resid  17 and name   HA)   (resid  20 and name   HG)   3.650    1.850    1.850  
assign (resid  17 and name   HA)   (resid  20 and name   HN)   3.075    1.275    1.275  
assign (resid  17 and name  HB#)   (resid  18 and name   HN)   3.175    1.375    1.375  
assign (resid  17 and name HD1#)   (resid 111 and name  HD#)   4.305    2.505    2.505  
assign (resid  17 and name HD1#)   (resid 111 and name  HE#)   4.005    2.205    2.205  
assign (resid  17 and name HD1#)   (resid 114 and name HG2#)   3.640    1.840    1.840  
assign (resid  17 and name HD1#)   (resid  18 and name  HB1)   4.850    3.050    3.050  
assign (resid  17 and name HD1#)   (resid  18 and name  HB2)   4.850    3.050    3.050  
assign (resid  17 and name HD1#)   (resid  18 and name   HN)   4.165    2.365    2.365  
assign (resid  17 and name HD1#)   (resid  20 and name HD1#)   5.440    3.640    3.640  
assign (resid  17 and name HD1#)   (resid  20 and name HD2#)   5.440    3.640    3.640  
assign (resid  17 and name HD1#)   (resid  20 and name   HN)   4.055    2.255    2.255  
assign (resid  17 and name HD2#)   (resid 111 and name  HD#)   4.305    2.505    2.505  
assign (resid  17 and name HD2#)   (resid 111 and name  HE#)   4.005    2.205    2.205  
assign (resid  17 and name HD2#)   (resid 114 and name HG2#)   3.640    1.840    1.840  
assign (resid  17 and name HD2#)   (resid  18 and name  HB1)   4.850    3.050    3.050  
assign (resid  17 and name HD2#)   (resid  18 and name  HB2)   4.850    3.050    3.050  
assign (resid  17 and name HD2#)   (resid  18 and name   HN)   4.165    2.365    2.365  
assign (resid  17 and name HD2#)   (resid  20 and name HD1#)   5.440    3.640    3.640  
assign (resid  17 and name HD2#)   (resid  20 and name HD2#)   5.440    3.640    3.640  
assign (resid  17 and name HD2#)   (resid  20 and name   HN)   4.055    2.255    2.255  
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assign (resid  17 and name  HD#)   (resid 111 and name  HE#)   3.840    2.040    2.040  
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assign (resid  17 and name  HD#)   (resid  18 and name  HB#)   3.965    2.165    2.165  
assign (resid  17 and name  HD#)   (resid  20 and name  HD#)   4.450    2.650    2.650  
assign (resid  17 and name  HD#)   (resid  20 and name   HN)   3.735    1.935    1.935  
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assign (resid  17 and name   HG)   (resid 118 and name HD1#)   2.830    1.030    1.030  
assign (resid  17 and name   HG)   (resid  18 and name   HN)   3.650    1.850    1.850  
assign (resid  17 and name   HG)   (resid  20 and name  HD#)   3.955    2.155    2.155  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.520    0.720    0.720  
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assign (resid  18 and name  HB1)   (resid  19 and name  HB#)   4.165    2.365    2.365  
assign (resid  18 and name  HB1)   (resid  19 and name   HN)   3.650    1.850    1.850  
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assign (resid  18 and name  HB2)   (resid  19 and name   HN)   3.650    1.850    1.850  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.550    0.750    0.750  
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assign (resid  20 and name HD1#)   (resid 115 and name HG1#)   3.825    2.025    2.025  
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assign (resid  20 and name HD2#)   (resid 115 and name HG1#)   3.825    2.025    2.025  
assign (resid  20 and name HD2#)   (resid 115 and name HG2#)   4.105    2.305    2.305  
assign (resid  20 and name  HD#)   (resid 115 and name HG1#)   3.600    1.800    1.800  
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assign (resid  20 and name   HG)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid  20 and name   HN)   (resid 115 and name HG1#)   4.165    2.365    2.365  
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assign (resid  20 and name   HN)   (resid  21 and name   HN)   2.285    0.485    0.485  
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assign (resid 102 and name   HA)   (resid 103 and name   HN)   2.285    0.485    0.485  
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assign (resid 102 and name  HG#)   (resid 103 and name   HN)   4.090    2.290    2.290  
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assign (resid 104 and name   HA)   (resid 105 and name  HG#)   3.360    1.560    1.560  
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assign (resid 105 and name   HA)   (resid 106 and name   HN)   2.285    0.485    0.485  
assign (resid 105 and name  HB#)   (resid 106 and name   HA)   3.360    1.560    1.560  
assign (resid 105 and name  HG#)   (resid 106 and name   HN)   3.950    2.150    2.150  
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assign (resid 106 and name   HA)   (resid 111 and name  HD#)   4.720    2.920    2.920  
assign (resid 106 and name  HB1)   (resid 107 and name   HN)   2.750    0.950    0.950  
assign (resid 106 and name  HB1)   (resid 111 and name   HA)   2.935    1.135    1.135  
assign (resid 106 and name  HB1)   (resid 111 and name  HB#)   4.090    2.290    2.290  
assign (resid 106 and name  HB1)   (resid 111 and name  HD#)   3.680    1.880    1.880  
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assign (resid 106 and name  HB2)   (resid 111 and name  HB#)   3.405    1.605    1.605  
assign (resid 106 and name HD1#)   (resid 107 and name   HN)   4.165    2.365    2.365  
assign (resid 106 and name HD1#)   (resid 110 and name  HG#)   4.200    2.400    2.400  
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assign (resid 106 and name HD1#)   (resid 111 and name   HN)   4.165    2.365    2.365  
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assign (resid 106 and name HD1#)   (resid 114 and name   HN)   4.165    2.365    2.365  
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assign (resid 106 and name HD2#)   (resid 110 and name  HG#)   4.200    2.400    2.400  
assign (resid 106 and name HD2#)   (resid 111 and name   HA)   3.280    1.480    1.480  
assign (resid 106 and name HD2#)   (resid 111 and name  HB1)   4.205    2.405    2.405  
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assign (resid 106 and name HD2#)   (resid 111 and name   HN)   4.165    2.365    2.365  
assign (resid 106 and name HD2#)   (resid 114 and name HG2#)   4.025    2.225    2.225  
assign (resid 106 and name HD2#)   (resid 114 and name   HN)   4.165    2.365    2.365  
assign (resid 106 and name  HD#)   (resid 110 and name  HB1)   3.770    1.970    1.970  
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assign (resid 106 and name   HG)   (resid 111 and name   HA)   3.650    1.850    1.850  
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assign (resid 107 and name   HA)   (resid 108 and name   HN)   2.410    0.610    0.610  
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assign (resid 107 and name   HN)   (resid 110 and name  HB1)   3.650    1.850    1.850  
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assign (resid 108 and name  HA#)   (resid 111 and name  HB#)   3.750    1.950    1.950  
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assign (resid 108 and name  HA#)   (resid 112 and name HG2#)   3.625    1.825    1.825  
assign (resid 109 and name   HA)   (resid 112 and name   HB)   2.365    0.565    0.565  
assign (resid 109 and name  HB#)   (resid 110 and name   HN)   3.640    1.840    1.840  
assign (resid 109 and name   HN)   (resid 110 and name   HN)   3.650    1.850    1.850  
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assign (resid 110 and name   HA)   (resid 113 and name  HD#)   3.780    1.980    1.980  
assign (resid 110 and name  HB1)   (resid 111 and name   HN)   2.890    1.090    1.090  
assign (resid 110 and name  HB1)   (resid 113 and name  HB#)   3.360    1.560    1.560  
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assign (resid 110 and name   HN)   (resid 111 and name   HN)   2.780    0.980    0.980  
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assign (resid 111 and name   HA)   (resid 114 and name   HN)   2.780    0.980    0.980  
assign (resid 111 and name  HB1)   (resid 112 and name   HN)   3.650    1.850    1.850  
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assign (resid 111 and name  HE#)   (resid 112 and name   HA)   4.715    2.915    2.915  
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assign (resid 111 and name  HE#)   (resid 112 and name   HN)   4.715    2.915    2.915  
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assign (resid 111 and name   HN)   (resid 112 and name   HN)   2.565    0.765    0.765  
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assign (resid 112 and name   HB)   (resid 113 and name   HN)   2.750    0.950    0.950  
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assign (resid 112 and name   HB)   (resid 115 and name HG2#)   4.165    2.365    2.365  
assign (resid 112 and name   HB)   (resid 116 and name HD1#)   3.170    1.370    1.370  
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assign (resid 112 and name HD1#)   (resid 113 and name   HE)   4.165    2.365    2.365  
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assign (resid 112 and name HD1#)   (resid 115 and name   HN)   4.165    2.365    2.365  
assign (resid 112 and name HG2#)   (resid 113 and name   HE)   4.165    2.365    2.365  
assign (resid 112 and name HG2#)   (resid 113 and name   HN)   3.450    1.650    1.650  
assign (resid 112 and name HG2#)   (resid 115 and name   HN)   4.165    2.365    2.365  
assign (resid 112 and name   HN)   (resid 113 and name   HN)   2.640    0.840    0.840  
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assign (resid 113 and name  HD#)   (resid 117 and name  HD#)   5.160    3.360    3.360  
assign (resid 113 and name  HD#)   (resid 117 and name  HE#)   5.155    3.355    3.355  
assign (resid 113 and name  HG#)   (resid 117 and name  HE#)   5.155    3.355    3.355  
assign (resid 113 and name   HN)   (resid 114 and name   HN)   2.380    0.580    0.580  
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assign (resid 114 and name   HA)   (resid 117 and name  HD#)   4.720    2.920    2.920  
assign (resid 114 and name   HA)   (resid 117 and name  HE#)   4.715    2.915    2.915  
assign (resid 114 and name   HA)   (resid 117 and name   HN)   3.385    1.585    1.585  
assign (resid 114 and name   HB)   (resid 115 and name HG1#)   4.165    2.365    2.365  
assign (resid 114 and name   HB)   (resid 115 and name HG2#)   4.165    2.365    2.365  
assign (resid 114 and name   HB)   (resid 115 and name   HN)   2.520    0.720    0.720  
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assign (resid 114 and name HG2#)   (resid 115 and name   HA)   3.745    1.945    1.945  
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assign (resid 114 and name HG2#)   (resid 115 and name HG2#)   4.680    2.880    2.880  
assign (resid 114 and name HG2#)   (resid 115 and name   HN)   3.995    2.195    2.195  
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assign (resid 114 and name HG2#)   (resid 118 and name HD1#)   3.750    1.950    1.950  
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assign (resid 114 and name   HN)   (resid 115 and name HG2#)   4.165    2.365    2.365  
assign (resid 114 and name   HN)   (resid 115 and name   HN)   2.640    0.840    0.840  
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assign (resid 115 and name   HB)   (resid 116 and name   HN)   2.720    0.920    0.920  
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assign (resid 115 and name HG1#)   (resid 116 and name   HN)   4.165    2.365    2.365  
assign (resid 115 and name HG1#)   (resid 119 and name  HB1)   4.165    2.365    2.365  
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assign (resid 116 and name HG1#)   (resid 117 and name  HD#)   4.600    2.800    2.800  
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assign (resid 117 and name  HB#)   (resid 118 and name HD1#)   4.600    2.800    2.800  
assign (resid 117 and name  HD#)   (resid 118 and name   HA)   4.720    2.920    2.920  
assign (resid 117 and name  HD#)   (resid 118 and name HD1#)   4.705    2.905    2.905  
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assign (resid 117 and name  HD#)   (resid 118 and name   HN)   4.720    2.920    2.920  
assign (resid 117 and name  HD#)   (resid 120 and name  HB#)   5.235    3.435    3.435  
assign (resid 117 and name  HD#)   (resid 121 and name  HB1)   4.720    2.920    2.920  
assign (resid 117 and name  HD#)   (resid 121 and name  HB2)   4.720    2.920    2.920  
assign (resid 117 and name  HE#)   (resid 118 and name   HA)   4.715    2.915    2.915  
assign (resid 117 and name  HE#)   (resid 118 and name HD1#)   5.230    3.430    3.430  
assign (resid 117 and name  HE#)   (resid 118 and name HG1#)   5.155    3.355    3.355  
assign (resid 117 and name  HE#)   (resid 118 and name HG2#)   5.230    3.430    3.430  
assign (resid 117 and name  HE#)   (resid 118 and name   HN)   4.715    2.915    2.915  
assign (resid 117 and name  HE#)   (resid 120 and name  HB#)   5.230    3.430    3.430  
assign (resid 117 and name  HE#)   (resid 121 and name  HB1)   4.715    2.915    2.915  
assign (resid 117 and name  HE#)   (resid 121 and name  HB2)   4.715    2.915    2.915  
assign (resid 117 and name   HN)   (resid 118 and name   HN)   2.765    0.965    0.965  
assign (resid 118 and name   HA)   (resid 121 and name  HB#)   2.740    0.940    0.940  
assign (resid 118 and name   HB)   (resid 119 and name   HN)   2.455    0.655    0.655  
assign (resid 118 and name HD1#)   (resid 119 and name   HN)   4.165    2.365    2.365  
assign (resid 118 and name HG11)   (resid 119 and name   HN)   3.650    1.850    1.850  
assign (resid 118 and name HG12)   (resid 119 and name   HN)   3.650    1.850    1.850  
assign (resid 118 and name HG2#)   (resid 119 and name   HN)   3.945    2.145    2.145  
assign (resid 118 and name   HN)   (resid 119 and name   HN)   2.580    0.780    0.780  
assign (resid 119 and name   HN)   (resid 120 and name   HN)   2.520    0.720    0.720  
assign (resid 120 and name   HA)   (resid 123 and name   HN)   2.795    0.995    0.995  
assign (resid 120 and name  HB#)   (resid 121 and name  HB1)   3.980    2.180    2.180  
assign (resid 120 and name  HB#)   (resid 121 and name  HB2)   3.980    2.180    2.180  
assign (resid 120 and name  HB#)   (resid 121 and name  HB#)   3.830    2.030    2.030  
assign (resid 120 and name  HB#)   (resid 123 and name   HN)   3.495    1.695    1.695  
assign (resid 120 and name  HB#)   (resid 124 and name  HE1)   4.165    2.365    2.365  
assign (resid 120 and name  HB#)   (resid 124 and name  HE3)   3.945    2.145    2.145  
assign (resid 120 and name   HN)   (resid 121 and name   HN)   2.675    0.875    0.875  
assign (resid 121 and name   HA)   (resid 122 and name   HN)   2.715    0.915    0.915   
assign (resid 121 and name   HA)   (resid 124 and name  HB2)   2.690    0.890    0.890  
assign (resid 121 and name  HB1)   (resid 124 and name  HD1)   3.650    1.850    1.850  
assign (resid 121 and name  HB2)   (resid 124 and name  HD1)   3.650    1.850    1.850  
assign (resid 121 and name  HB#)   (resid 124 and name   HN)   3.250    1.450    1.450  
assign (resid 121 and name   HN)   (resid 122 and name   HN)   2.395    0.595    0.595  
assign (resid 122 and name   HA)   (resid 123 and name   HN)   2.710    0.910    0.910  
assign (resid 122 and name  HB1)   (resid 123 and name   HN)   3.170    1.370    1.370  
assign (resid 122 and name  HB2)   (resid 123 and name   HN)   3.170    1.370    1.370  
assign (resid 123 and name   HA)   (resid 124 and name   HN)   2.745    0.945    0.945  
assign (resid 123 and name  HB#)   (resid 124 and name  HD1)   3.765    1.965    1.965  
assign (resid 123 and name  HB#)   (resid 124 and name  HE1)   4.090    2.290    2.290  
assign (resid 123 and name  HB#)   (resid 124 and name  HE3)   4.090    2.290    2.290  
assign (resid 123 and name  HB#)   (resid 124 and name  HZ3)   4.090    2.290    2.290  
assign (resid 123 and name  HD#)   (resid 124 and name   HN)   4.090    2.290    2.290  
assign (resid 123 and name  HG1)   (resid 124 and name  HD1)   3.650    1.850    1.850  
assign (resid 123 and name  HG1)   (resid 124 and name   HN)   3.650    1.850    1.850  
assign (resid 123 and name  HG1)   (resid 124 and name  HZ3)   3.650    1.850    1.850  
assign (resid 123 and name  HG2)   (resid 124 and name  HD1)   3.650    1.850    1.850  
assign (resid 123 and name  HG2)   (resid 124 and name   HN)   3.650    1.850    1.850  
assign (resid 123 and name  HG2)   (resid 124 and name  HZ3)   3.650    1.850    1.850  
assign (resid 123 and name  HG#)   (resid 124 and name  HE1)   4.090    2.290    2.290  
assign (resid 123 and name  HG#)   (resid 124 and name   HN)   3.555    1.755    1.755  
assign (resid 123 and name  HG#)   (resid 124 and name  HZ3)   3.570    1.770    1.770  
assign (resid 123 and name   HN)   (resid 124 and name   HN)   2.505    0.705    0.705  

!hbonds
assign (resid 104 and name   HN)   (resid 12 and name   O)      1.600    0.400    0.700 
assign (resid 104 and name    N)   (resid 12 and name   O)      2.400    0.600    0.900  
assign (resid 110 and name   HN)   (resid 107 and name   O)     1.600    0.400    0.700 
assign (resid 110 and name    N)   (resid 107 and name   O)     2.400    0.600    0.900  
assign (resid 113 and name   HN)   (resid 109 and name   O)     1.600    0.400    0.700 
assign (resid 113 and name    N)   (resid 109 and name   O)     2.400    0.600    0.900  
assign (resid 114 and name   HN)   (resid 110 and name   O)     1.600    0.400    0.700 
assign (resid 114 and name    N)   (resid 110 and name   O)     2.400    0.600    0.900  
assign (resid 115 and name   HN)   (resid 111 and name   O)     1.600    0.400    0.700  
assign (resid 115 and name    N)   (resid 111 and name   O)     2.400    0.600    0.900 
assign (resid 117 and name   HN)   (resid 113 and name   O)     1.600    0.400    0.700  
assign (resid 117 and name    N)   (resid 113 and name   O)     2.400    0.600    0.900  
assign (resid 119 and name   HN)   (resid 115 and name   O)     1.600    0.400    0.700  
assign (resid 119 and name    N)   (resid 115 and name   O)     2.400    0.600    0.900 
assign (resid 120 and name   HN)   (resid 116 and name   O or resid 117 and name O)     1.600    0.400    0.700  
assign (resid 120 and name    N)   (resid 116 and name   O or resid 117 and name O)     2.400    0.600    0.900  
assign (resid 121 and name   HN)   (resid 117 and name   O or resid 118 and name O)     1.600    0.400    0.700  
assign (resid 121 and name    N)   (resid 117 and name   O or resid 118 and name O)     2.400    0.600    0.900  
assign (resid 122 and name   HN)   (resid 118 and name   O or resid 119 and name O)     1.600    0.400    0.700  
assign (resid 122 and name    N)   (resid 118 and name   O or resid 119 and name O)     2.400    0.600    0.900  
assign (resid 123 and name   HN)   (resid 119 and name   O or resid 120 and name O)     1.600    0.400    0.700  
assign (resid 123 and name    N)   (resid 119 and name   O or resid 120 and name O)     2.400    0.600    0.900  
assign (resid 124 and name   HN)   (resid 120 and name   O or resid 121 and name O)     1.600    0.400    0.700  
assign (resid 124 and name    N)   (resid 120 and name   O or resid 121 and name O)     2.400    0.600    0.900  
assign (resid   5 and name   HN)   (resid 2 and name   OD1 or resid 2 and name OD2)     1.600    0.400    0.700  
assign (resid   5 and name    N)   (resid 2 and name   OD1 or resid 2 and name OD2)     2.400    0.600    0.900  
assign (resid  13 and name   HN)   (resid 16 and name   OD1 or resid 16 and name OD2)     1.600    0.400    0.700  
assign (resid  13 and name    N)   (resid 16 and name   OD1 or resid 16 and name OD2)     2.400    0.600    0.900  
assign (resid  16 and name   HN)   (resid 16 and name   OD1 or resid 16 and name OD2)     1.600    0.400    0.700  
assign (resid  16 and name    N)   (resid 16 and name   OD1 or resid 16 and name OD2)     2.400    0.600    0.900  
assign (resid  17 and name   HN)   (resid 13 and name   O)     1.600    0.400    0.700  
assign (resid  17 and name    N)   (resid 13 and name   O)     2.400    0.600    0.900  
assign (resid  18 and name   HN)   (resid 14 and name   O)     1.600    0.400    0.700  
assign (resid  18 and name    N)   (resid 14 and name   O)     2.400    0.600    0.900  
assign (resid  19 and name   HN)   (resid 15 and name   O)     1.600    0.400    0.700  
assign (resid  19 and name    N)   (resid 15 and name   O)     2.400    0.600    0.900  
assign (resid  20 and name   HN)   (resid 17 and name   O)     1.600    0.400    0.700  
assign (resid  20 and name    N)   (resid 17 and name   O)     2.400    0.600    0.900  
assign (resid  21 and name   HN)   (resid 18 and name   O)     1.600    0.400    0.700  
assign (resid  21 and name    N)   (resid 18 and name   O)     2.400    0.600    0.900  
{\rtf1\mac\ansicpg10000\cocoartf824\cocoasubrtf480
{\fonttbl\f0\fswiss\fcharset77 Helvetica;}
{\colortbl;\red255\green255\blue255;}
\paperw11900\paperh16840\margl1440\margr1440\vieww19480\viewh12560\viewkind0
\pard\tx566\tx1133\tx1700\tx2267\tx2834\tx3401\tx3968\tx4535\tx5102\tx5669\tx6236\tx6803\ql\qnatural\pardirnatural

\f0\fs24 \cf0 ! Restraints for INSL5 - OBS! Residues 1-24 in the B-chain are referred to as residues 101-124.\
\
!phi angles \
 !!    Asp 2\
assign (resid   1 and name C )   (resid  2 and name N ) \
       (resid   2 and name CA)   (resid  2 and name C )    1  -100.0   80.0  2  \
 !!    Leu 3\
assign (resid   2 and name C )   (resid  3 and name N ) \
       (resid   3 and name CA)   (resid  3 and name C )    1  -100.0   80.0  2 \
 !!    Gln 4\
assign (resid   3 and name C )   (resid  4 and name N ) \
       (resid   4 and name CA)   (resid  4 and name C )    1  -100.0   80.0  2  \
 !!    Asp 10 \
assign (resid   9 and name C )   (resid  10 and name N ) \
       (resid   10 and name CA)   (resid  10 and name C )    1  -100.0   80.0  2 \
 !!    Ser 13\
assign (resid   12 and name C )   (resid  13 and name N ) \
       (resid   13 and name CA)   (resid  13 and name C )    1  -100.0   80.0  2 \
 !!    Met 14 \
assign (resid   13 and name C )   (resid  14 and name N ) \
       (resid   14 and name CA)   (resid  14 and name C )    1  -100.0   80.0  2  \
 !!    Asp 16 \
assign (resid   15 and name C )   (resid  16 and name N ) \
       (resid   16 and name CA)   (resid  16 and name C )    1  -100.0   80.0  2 \
 !!    Glu 102\
assign (resid   101 and name C )   (resid  102 and name N ) \
       (resid   102 and name CA)   (resid  102 and name C )    1  -100.0   80.0  2 \
 !!    Ser 103\
assign (resid   102 and name C )   (resid  103 and name N ) \
       (resid   103 and name CA)   (resid  103 and name C )    1  -100.0   80.0  2 \
 !!    Val 104\
assign (resid   103 and name C )   (resid  104 and name N ) \
       (resid   104 and name CA)   (resid  104 and name C )    1  -100.0   80.0  2  \
 !!    Arg 105\
assign (resid   104 and name C )   (resid  105 and name N ) \
       (resid   105 and name CA)   (resid  105 and name C )    1  -100.0   80.0  2\
 !!    Leu 106\
assign (resid   105 and name C )   (resid  106 and name N ) \
       (resid   106 and name CA)   (resid  106 and name C )    1  -100.0   80.0  2  \
 !!    Cys 107\
assign (resid   106 and name C )   (resid  107 and name N ) \
       (resid   107 and name CA)   (resid  107 and name C )    1  -100.0   80.0  2  \
 !!    Leu 109 \
assign (resid   108 and name C )   (resid  109 and name N ) \
       (resid   109 and name CA)   (resid  109 and name C )    1  -100.0   80.0  2 \
 !!    Val 115 \
assign (resid   114 and name C )   (resid  115 and name N ) \
       (resid   115 and name CA)   (resid  115 and name C )    1  -100.0   80.0  2 \
 !!    Ser 121 \
assign (resid   120 and name C )   (resid  121 and name N ) \
       (resid   121 and name CA)   (resid  121 and name C )    1  -100.0   80.0  2 \
\
!chi Angles\
  !!   Asp 10  \
assign (resid   10 and name N )  (resid  10 and name CA) \
       (resid   10 and name CB)  (resid  10 and name CG)   1    -120.0   90.0  2\
  !!   Met 14  \
assign (resid   14 and name N )  (resid  14 and name CA) \
       (resid   14 and name CB)  (resid  14 and name CG)   1    -180.0   30.0  2\
  !!   Asp 16  \
assign (resid   16 and name N )  (resid  16 and name CA) \
       (resid   16 and name CB)  (resid  16 and name CG)   1    -60.0   30.0  2\
  !!   Cys 21  \
assign (resid   21 and name N )  (resid  21 and name CA) \
       (resid   21 and name CB)  (resid  21 and name SG)   1    -60.0   30.0  2\
  !!   Cys 107  \
assign (resid   107 and name N )  (resid  107 and name CA) \
       (resid   107 and name CB)  (resid  107 and name SG)   1   -60.0   30.0  2  \
  !!   Glu 110  \
assign (resid   110 and name N )  (resid  110 and name CA) \
       (resid   110 and name CB)  (resid  110 and name CG)   1   -60.0   30.0  2\
  !!   Val 115 \
assign (resid   115 and name HA)  (resid  115 and name CA) \
       (resid   115 and name CB)  (resid  115 and name HB)   1   -180.0   30.0  2\
  !!   Cys 119  \
assign (resid   119 and name N )  (resid  119 and name CA) \
       (resid   119 and name CB)  (resid  119 and name SG)   1   -60.0   30.0  2  \
  !!   Trp 124  \
assign (resid   124 and name N )  (resid  124 and name CA) \
       (resid   124 and name CB)  (resid  124 and name CG)   1   -60.0   30.0  2 \
\
}
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           HN       LYS   1  -9.040  -1.834  14.191
    2    HA   LYS   1           HA       LYS   1  -6.436  -1.287  13.085
    3    HB2  LYS   1           HB2      LYS   1  -6.085  -3.593  13.680
    4    HB3  LYS   1           HB1      LYS   1  -7.629  -4.062  12.988
    5    HG2  LYS   1           HG2      LYS   1  -5.780  -4.734  11.561
    6    HG3  LYS   1           HG1      LYS   1  -6.804  -3.546  10.754
    7    HD2  LYS   1           HD2      LYS   1  -5.210  -1.794  11.213
    8    HD3  LYS   1           HD1      LYS   1  -4.222  -2.895  12.175
    9    HE2  LYS   1           HE2      LYS   1  -3.295  -2.552   9.926
   10    HE3  LYS   1           HE1      LYS   1  -3.745  -4.232  10.208
   11    HZ1  LYS   1           HZ1      LYS   1  -5.795  -3.854   8.974
   12    HZ2  LYS   1           HZ2      LYS   1  -4.437  -3.506   8.022
   13    HZ3  LYS   1           HZ3      LYS   1  -5.343  -2.239   8.689
   14    H    GLU   2           HN       GLU   2  -7.335   0.278  11.843
   15    HA   GLU   2           HA       GLU   2  -9.177  -0.633   9.746
   16    HB2  GLU   2           HB2      GLU   2 -10.385   0.792  11.361
   17    HB3  GLU   2           HB1      GLU   2  -9.206   2.071  11.108
   18    HG2  GLU   2           HG2      GLU   2 -11.256   2.502   9.878
   19    HG3  GLU   2           HG1      GLU   2  -9.893   2.273   8.785
   20    H    SER   3           HN       SER   3  -8.320  -0.438   7.808
   21    HA   SER   3           HA       SER   3  -6.468   1.744   7.233
   22    HB2  SER   3           HB2      SER   3  -5.781  -1.100   6.486
   23    HB3  SER   3           HB1      SER   3  -4.748   0.324   6.399
   24    HG   SER   3           HG       SER   3  -4.313   0.164   8.473
   25    H    VAL   4           HN       VAL   4  -5.818   1.421   4.719
   26    HA   VAL   4           HA       VAL   4  -8.373   1.411   3.344
   27    HB   VAL   4           HB       VAL   4  -5.914   1.699   1.741
   28   HG11  VAL   4          HG11      VAL   4  -8.444   3.319   1.961
   29   HG12  VAL   4          HG12      VAL   4  -8.120   2.042   0.788
   30   HG13  VAL   4          HG13      VAL   4  -7.185   3.536   0.745
   31   HG21  VAL   4          HG21      VAL   4  -5.546   4.035   2.480
   32   HG22  VAL   4          HG22      VAL   4  -5.156   2.850   3.725
   33   HG23  VAL   4          HG23      VAL   4  -6.665   3.757   3.815
   34    H    ARG   5           HN       ARG   5  -8.931   0.017   1.673
   35    HA   ARG   5           HA       ARG   5  -7.429  -2.501   1.681
   36    HB2  ARG   5           HB2      ARG   5 -10.320  -1.876   1.132
   37    HB3  ARG   5           HB1      ARG   5  -9.601  -3.395   0.617
   38    HG2  ARG   5           HG2      ARG   5 -10.452  -4.022   2.636
   39    HG3  ARG   5           HG1      ARG   5  -8.841  -3.506   3.137
   40    HD2  ARG   5           HD2      ARG   5  -9.918  -1.205   3.515
   41    HD3  ARG   5           HD1      ARG   5 -11.456  -2.063   3.430
   42    HE   ARG   5           HE       ARG   5  -9.764  -3.370   5.264
   43   HH11  ARG   5          HH11      ARG   5 -11.607  -0.414   4.938
   44   HH12  ARG   5          HH12      ARG   5 -11.787  -0.171   6.652
   45   HH21  ARG   5          HH21      ARG   5 -10.017  -3.073   7.519
   46   HH22  ARG   5          HH22      ARG   5 -10.899  -1.689   8.118
   47    H    LEU   6           HN       LEU   6  -5.981  -2.469   0.108
   48    HA   LEU   6           HA       LEU   6  -6.838  -1.616  -2.579
   49    HB2  LEU   6           HB2      LEU   6  -4.088  -1.653  -1.333
   50    HB3  LEU   6           HB1      LEU   6  -4.377  -1.369  -3.035
   51    HG   LEU   6           HG       LEU   6  -4.106   0.773  -2.265
   52   HD11  LEU   6          HD11      LEU   6  -6.278   0.595  -3.389
   53   HD12  LEU   6          HD12      LEU   6  -6.245   1.887  -2.190
   54   HD13  LEU   6          HD13      LEU   6  -7.056   0.365  -1.823
   55   HD21  LEU   6          HD21      LEU   6  -5.605   0.042   0.243
   56   HD22  LEU   6          HD22      LEU   6  -4.885   1.613  -0.114
   57   HD23  LEU   6          HD23      LEU   6  -3.855   0.195   0.084
   58    H    CYS   7           HN       CYS   7  -6.735  -3.105  -4.203
   59    HA   CYS   7           HA       CYS   7  -5.614  -5.728  -3.478
   60    HB2  CYS   7           HB2      CYS   7  -7.818  -5.216  -5.476
   61    HB3  CYS   7           HB1      CYS   7  -7.298  -6.769  -4.830
   62    H    GLY   8           HN       GLY   8  -3.782  -6.148  -4.458
   63    HA2  GLY   8           HA2      GLY   8  -2.130  -6.305  -6.034
   64    HA3  GLY   8           HA1      GLY   8  -3.442  -6.469  -7.184
   65    H    LEU   9           HN       LEU   9  -3.785  -4.900  -8.617
   66    HA   LEU   9           HA       LEU   9  -1.832  -3.040  -9.224
   67    HB2  LEU   9           HB2      LEU   9  -4.758  -2.982  -9.960
   68    HB3  LEU   9           HB1      LEU   9  -3.509  -2.023 -10.730
   69    HG   LEU   9           HG       LEU   9  -3.604  -5.041 -10.742
   70   HD11  LEU   9          HD11      LEU   9  -4.330  -3.061 -12.896
   71   HD12  LEU   9          HD12      LEU   9  -5.450  -4.100 -12.016
   72   HD13  LEU   9          HD13      LEU   9  -4.246  -4.811 -13.091
   73   HD21  LEU   9          HD21      LEU   9  -1.833  -3.068 -12.180
   74   HD22  LEU   9          HD22      LEU   9  -1.889  -4.800 -12.507
   75   HD23  LEU   9          HD23      LEU   9  -1.344  -4.217 -10.934
   76    H    GLU  10           HN       GLU  10  -4.839  -2.580  -7.417
   77    HA   GLU  10           HA       GLU  10  -4.659   0.208  -7.137
   78    HB2  GLU  10           HB2      GLU  10  -5.883  -1.686  -5.126
   79    HB3  GLU  10           HB1      GLU  10  -6.303  -0.001  -5.399
   80    HG2  GLU  10           HG2      GLU  10  -6.920  -2.389  -7.095
   81    HG3  GLU  10           HG1      GLU  10  -8.025  -1.200  -6.405
   82    H    TYR  11           HN       TYR  11  -3.346  -2.440  -5.237
   83    HA   TYR  11           HA       TYR  11  -2.360  -0.826  -3.110
   84    HB2  TYR  11           HB2      TYR  11  -2.767  -3.236  -2.826
   85    HB3  TYR  11           HB1      TYR  11  -1.506  -3.592  -4.003
   86    HD1  TYR  11           HD1      TYR  11  -2.039  -1.863  -0.751
   87    HD2  TYR  11           HD2      TYR  11   0.676  -3.954  -3.268
   88    HE1  TYR  11           HE1      TYR  11  -0.372  -1.852   1.049
   89    HE2  TYR  11           HE2      TYR  11   2.354  -3.949  -1.469
   90    HH   TYR  11           HH       TYR  11   1.605  -3.136   1.732
   91    H    ILE  12           HN       ILE  12  -0.782  -2.451  -5.830
   92    HA   ILE  12           HA       ILE  12   1.802  -1.533  -5.486
   93    HB   ILE  12           HB       ILE  12   0.336  -2.076  -8.073
   94   HG12  ILE  12          HG12      ILE  12   2.233  -3.905  -6.613
   95   HG13  ILE  12          HG11      ILE  12   0.501  -3.907  -6.292
   96   HG21  ILE  12          HG21      ILE  12   2.554  -2.439  -9.052
   97   HG22  ILE  12          HG22      ILE  12   3.301  -1.926  -7.539
   98   HG23  ILE  12          HG23      ILE  12   2.354  -0.780  -8.488
   99   HD11  ILE  12          HD11      ILE  12   1.071  -5.657  -7.848
  100   HD12  ILE  12          HD12      ILE  12   1.828  -4.485  -8.928
  101   HD13  ILE  12          HD13      ILE  12   0.087  -4.432  -8.651
  102    H    ARG  13           HN       ARG  13  -0.849  -0.028  -7.302
  103    HA   ARG  13           HA       ARG  13   0.551   2.155  -8.343
  104    HB2  ARG  13           HB2      ARG  13  -1.878   1.261  -8.758
  105    HB3  ARG  13           HB1      ARG  13  -2.307   2.412  -7.502
  106    HG2  ARG  13           HG2      ARG  13  -1.376   4.228  -8.815
  107    HG3  ARG  13           HG1      ARG  13  -0.873   3.085 -10.063
  108    HD2  ARG  13           HD2      ARG  13  -3.682   3.783  -9.228
  109    HD3  ARG  13           HD1      ARG  13  -2.914   4.097 -10.782
  110    HE   ARG  13           HE       ARG  13  -2.917   1.672 -11.144
  111   HH11  ARG  13          HH11      ARG  13  -5.078   2.959  -8.705
  112   HH12  ARG  13          HH12      ARG  13  -6.162   1.595  -8.755
  113   HH21  ARG  13          HH21      ARG  13  -4.363  -0.112 -11.220
  114   HH22  ARG  13          HH22      ARG  13  -5.745  -0.151 -10.159
  115    H    THR  14           HN       THR  14  -1.209   1.823  -5.284
  116    HA   THR  14           HA       THR  14  -0.836   4.512  -4.469
  117    HB   THR  14           HB       THR  14  -1.319   2.126  -2.676
  118    HG1  THR  14           HG1      THR  14  -2.991   2.052  -4.100
  119   HG21  THR  14          HG21      THR  14  -2.031   5.047  -2.367
  120   HG22  THR  14          HG22      THR  14  -0.737   4.210  -1.510
  121   HG23  THR  14          HG23      THR  14  -2.419   3.760  -1.225
  122    H    VAL  15           HN       VAL  15   0.977   1.526  -3.912
  123    HA   VAL  15           HA       VAL  15   2.761   2.594  -1.991
  124    HB   VAL  15           HB       VAL  15   3.079   0.231  -3.847
  125   HG11  VAL  15          HG11      VAL  15   4.925  -0.483  -2.463
  126   HG12  VAL  15          HG12      VAL  15   4.742   0.932  -1.428
  127   HG13  VAL  15          HG13      VAL  15   5.266   1.125  -3.101
  128   HG21  VAL  15          HG21      VAL  15   2.348   0.413  -0.926
  129   HG22  VAL  15          HG22      VAL  15   2.562  -1.077  -1.844
  130   HG23  VAL  15          HG23      VAL  15   1.249   0.027  -2.251
  131    H    ILE  16           HN       ILE  16   3.193   2.012  -5.500
  132    HA   ILE  16           HA       ILE  16   5.781   3.091  -5.632
  133    HB   ILE  16           HB       ILE  16   5.450   3.317  -8.052
  134   HG12  ILE  16          HG12      ILE  16   2.595   2.473  -7.498
  135   HG13  ILE  16          HG11      ILE  16   3.096   4.082  -8.006
  136   HG21  ILE  16          HG21      ILE  16   5.006   0.947  -8.523
  137   HG22  ILE  16          HG22      ILE  16   4.378   0.752  -6.886
  138   HG23  ILE  16          HG23      ILE  16   6.075   1.164  -7.136
  139   HD11  ILE  16          HD11      ILE  16   3.371   1.542  -9.595
  140   HD12  ILE  16          HD12      ILE  16   3.940   3.131 -10.106
  141   HD13  ILE  16          HD13      ILE  16   2.215   2.843  -9.877
  142    H    TYR  17           HN       TYR  17   2.643   4.628  -5.695
  143    HA   TYR  17           HA       TYR  17   3.447   7.144  -6.680
  144    HB2  TYR  17           HB2      TYR  17   1.075   6.357  -6.461
  145    HB3  TYR  17           HB1      TYR  17   1.211   6.578  -4.720
  146    HD1  TYR  17           HD1      TYR  17   1.333   8.377  -7.961
  147    HD2  TYR  17           HD2      TYR  17   0.872   8.698  -3.744
  148    HE1  TYR  17           HE1      TYR  17   0.660  10.728  -8.219
  149    HE2  TYR  17           HE2      TYR  17   0.197  11.049  -3.990
  150    HH   TYR  17           HH       TYR  17   0.522  12.892  -5.658
  151    H    ILE  18           HN       ILE  18   3.068   5.924  -3.362
  152    HA   ILE  18           HA       ILE  18   3.971   8.298  -2.103
  153    HB   ILE  18           HB       ILE  18   3.920   5.463  -1.053
  154   HG12  ILE  18          HG12      ILE  18   1.985   7.755  -0.648
  155   HG13  ILE  18          HG11      ILE  18   1.716   6.383  -1.717
  156   HG21  ILE  18          HG21      ILE  18   4.047   6.476   1.176
  157   HG22  ILE  18          HG22      ILE  18   4.241   8.067   0.439
  158   HG23  ILE  18          HG23      ILE  18   5.483   6.835   0.217
  159   HD11  ILE  18          HD11      ILE  18   1.747   4.879   0.194
  160   HD12  ILE  18          HD12      ILE  18   0.521   6.133   0.384
  161   HD13  ILE  18          HD13      ILE  18   2.043   6.244   1.270
  162    H    CYS  19           HN       CYS  19   5.583   5.249  -2.949
  163    HA   CYS  19           HA       CYS  19   8.080   5.804  -1.838
  164    HB2  CYS  19           HB2      CYS  19   7.355   4.145  -4.257
  165    HB3  CYS  19           HB1      CYS  19   8.961   4.176  -3.541
  166    H    ALA  20           HN       ALA  20   6.782   6.610  -5.044
  167    HA   ALA  20           HA       ALA  20   9.196   7.726  -6.033
  168    HB1  ALA  20           HB1      ALA  20   7.824   8.694  -7.801
  169    HB2  ALA  20           HB2      ALA  20   6.362   8.284  -6.902
  170    HB3  ALA  20           HB3      ALA  20   7.401   7.003  -7.526
  171    H    SER  21           HN       SER  21   6.291   9.188  -4.590
  172    HA   SER  21           HA       SER  21   7.050  11.858  -4.786
  173    HB2  SER  21           HB2      SER  21   5.432  10.586  -2.566
  174    HB3  SER  21           HB1      SER  21   5.424  12.291  -3.021
  175    HG   SER  21           HG       SER  21   4.432  10.067  -4.463
  176    H    SER  22           HN       SER  22   7.894   9.441  -2.372
  177    HA   SER  22           HA       SER  22   9.157  11.265  -0.584
  178    HB2  SER  22           HB2      SER  22   9.592   8.280  -0.799
  179    HB3  SER  22           HB1      SER  22   9.896   9.301   0.607
  180    HG   SER  22           HG       SER  22   7.409   8.571  -0.538
  181    H    ARG  23           HN       ARG  23  10.129   9.781  -3.523
  182    HA   ARG  23           HA       ARG  23  12.963  10.108  -2.927
  183    HB2  ARG  23           HB2      ARG  23  13.395   8.641  -4.606
  184    HB3  ARG  23           HB1      ARG  23  11.720   8.188  -4.340
  185    HG2  ARG  23           HG2      ARG  23  11.310   8.604  -6.472
  186    HG3  ARG  23           HG1      ARG  23  11.678  10.306  -6.188
  187    HD2  ARG  23           HD2      ARG  23  13.745   8.207  -6.837
  188    HD3  ARG  23           HD1      ARG  23  12.995   9.260  -8.035
  189    HE   ARG  23           HE       ARG  23  14.022  10.907  -6.048
  190   HH11  ARG  23          HH11      ARG  23  15.257   8.626  -8.403
  191   HH12  ARG  23          HH12      ARG  23  16.786   9.422  -8.565
  192   HH21  ARG  23          HH21      ARG  23  16.024  11.961  -6.252
  193   HH22  ARG  23          HH22      ARG  23  17.227  11.333  -7.331
  194    H    TRP  24           HN       TRP  24  10.394  11.818  -4.359
  195    HA   TRP  24           HA       TRP  24  12.121  13.472  -6.012
  196    HB2  TRP  24           HB2      TRP  24   9.147  13.644  -5.475
  197    HB3  TRP  24           HB1      TRP  24  10.028  14.677  -6.593
  198    HD1  TRP  24           HD1      TRP  24   7.722  12.087  -6.896
  199    HE1  TRP  24           HE1      TRP  24   8.104  10.573  -8.939
  200    HE3  TRP  24           HE3      TRP  24  12.570  13.332  -7.942
  201    HZ2  TRP  24           HZ2      TRP  24  10.180   9.983 -10.752
  202    HZ3  TRP  24           HZ3      TRP  24  13.681  12.246  -9.848
  203    HH2  TRP  24           HH2      TRP  24  12.509  10.605 -11.224
  204    HN1  NH2  25           H1       NH2  25   9.969  13.884  -3.228
  205    HN2  NH2  25           H2       NH2  25  10.733  15.312  -2.627
  206    H1   PCA   1           HN       PCA   1  -3.164 -12.846   3.493
  207    HA   PCA   1           HA       PCA   1  -1.943 -13.412   5.632
  208    HB2  PCA   1           HB2      PCA   1  -0.024 -15.120   4.317
  209    HB3  PCA   1           HB1      PCA   1  -1.170 -15.542   5.606
  210    HG2  PCA   1           HG2      PCA   1  -1.318 -16.230   2.834
  211    HG3  PCA   1           HG1      PCA   1  -2.474 -16.622   4.130
  212    H    ASP   2           HN       ASP   2  -0.851 -12.998   2.339
  213    HA   ASP   2           HA       ASP   2   1.612 -11.723   3.023
  214    HB2  ASP   2           HB2      ASP   2   1.815 -12.671   0.945
  215    HB3  ASP   2           HB1      ASP   2   0.148 -12.322   0.507
  216    H    LEU   3           HN       LEU   3   2.153  -9.507   2.628
  217    HA   LEU   3           HA       LEU   3   0.432  -7.676   3.821
  218    HB2  LEU   3           HB2      LEU   3   2.788  -7.305   3.800
  219    HB3  LEU   3           HB1      LEU   3   2.838  -7.309   2.050
  220    HG   LEU   3           HG       LEU   3   1.598  -5.173   2.020
  221   HD11  LEU   3          HD11      LEU   3   1.860  -5.340   5.019
  222   HD12  LEU   3          HD12      LEU   3   0.362  -5.334   4.087
  223   HD13  LEU   3          HD13      LEU   3   1.386  -3.896   4.122
  224   HD21  LEU   3          HD21      LEU   3   3.434  -3.785   2.860
  225   HD22  LEU   3          HD22      LEU   3   4.024  -5.172   1.944
  226   HD23  LEU   3          HD23      LEU   3   4.096  -5.183   3.707
  227    H    GLN   4           HN       GLN   4   1.088  -8.195   0.363
  228    HA   GLN   4           HA       GLN   4  -0.709  -6.101  -0.459
  229    HB2  GLN   4           HB2      GLN   4   0.180  -8.321  -2.271
  230    HB3  GLN   4           HB1      GLN   4  -0.092  -6.625  -2.649
  231    HG2  GLN   4           HG2      GLN   4   1.976  -5.989  -1.942
  232    HG3  GLN   4           HG1      GLN   4   2.100  -7.295  -0.765
  233   HE21  GLN   4          HE21      GLN   4   2.706  -9.366  -1.468
  234   HE22  GLN   4          HE22      GLN   4   3.533  -9.589  -2.972
  235    H    THR   5           HN       THR   5  -0.763  -9.587  -0.220
  236    HA   THR   5           HA       THR   5  -3.226 -10.113  -1.424
  237    HB   THR   5           HB       THR   5  -1.797 -11.624   0.781
  238    HG1  THR   5           HG1      THR   5  -0.587 -11.334  -1.176
  239   HG21  THR   5          HG21      THR   5  -3.061 -13.576  -0.005
  240   HG22  THR   5          HG22      THR   5  -3.931 -12.562  -1.156
  241   HG23  THR   5          HG23      THR   5  -4.150 -12.317   0.576
  242    H    LEU   6           HN       LEU   6  -2.479  -9.721   2.056
  243    HA   LEU   6           HA       LEU   6  -5.216  -9.950   2.836
  244    HB2  LEU   6           HB2      LEU   6  -3.106 -10.401   4.233
  245    HB3  LEU   6           HB1      LEU   6  -3.074  -8.673   4.505
  246    HG   LEU   6           HG       LEU   6  -5.400  -8.879   5.448
  247   HD11  LEU   6          HD11      LEU   6  -6.089 -11.120   6.201
  248   HD12  LEU   6          HD12      LEU   6  -4.754 -11.817   5.284
  249   HD13  LEU   6          HD13      LEU   6  -6.055 -10.975   4.444
  250   HD21  LEU   6          HD21      LEU   6  -3.444  -8.672   6.881
  251   HD22  LEU   6          HD22      LEU   6  -3.195 -10.417   6.814
  252   HD23  LEU   6          HD23      LEU   6  -4.631  -9.761   7.600
  253    H    CYS   7           HN       CYS   7  -3.508  -7.444   1.395
  254    HA   CYS   7           HA       CYS   7  -4.708  -5.228   2.701
  255    HB2  CYS   7           HB2      CYS   7  -2.704  -5.468   0.890
  256    HB3  CYS   7           HB1      CYS   7  -4.012  -4.928  -0.159
  257    H    CYS   8           HN       CYS   8  -5.809  -7.531   0.433
  258    HA   CYS   8           HA       CYS   8  -8.061  -5.899  -0.450
  259    HB2  CYS   8           HB2      CYS   8  -6.676  -7.550  -1.917
  260    HB3  CYS   8           HB1      CYS   8  -7.638  -8.799  -1.138
  261    H    THR   9           HN       THR   9  -7.459  -7.182   2.316
  262    HA   THR   9           HA       THR   9 -10.206  -8.092   2.776
  263    HB   THR   9           HB       THR   9  -7.894  -9.461   4.140
  264    HG1  THR   9           HG1      THR   9  -8.984  -9.925   1.585
  265   HG21  THR   9          HG21      THR   9 -10.754 -10.289   3.622
  266   HG22  THR   9          HG22      THR   9 -10.116  -9.685   5.151
  267   HG23  THR   9          HG23      THR   9  -9.550 -11.226   4.508
  268    H    ASP  10           HN       ASP  10  -7.207  -7.748   4.673
  269    HA   ASP  10           HA       ASP  10  -8.599  -6.437   6.828
  270    HB2  ASP  10           HB2      ASP  10  -6.782  -7.825   7.491
  271    HB3  ASP  10           HB1      ASP  10  -5.709  -7.118   6.292
  272    H    GLY  11           HN       GLY  11  -5.842  -5.461   4.793
  273    HA2  GLY  11           HA2      GLY  11  -6.111  -3.373   3.496
  274    HA3  GLY  11           HA1      GLY  11  -6.882  -2.702   4.925
  275    H    CYS  12           HN       CYS  12  -4.593  -1.702   3.486
  276    HA   CYS  12           HA       CYS  12  -2.530  -1.938   5.577
  277    HB2  CYS  12           HB2      CYS  12  -2.004  -1.036   2.753
  278    HB3  CYS  12           HB1      CYS  12  -0.849  -1.618   3.948
  279    H    SER  13           HN       SER  13  -1.716  -0.091   6.458
  280    HA   SER  13           HA       SER  13  -3.232   2.344   5.943
  281    HB2  SER  13           HB2      SER  13  -1.057   2.288   7.971
  282    HB3  SER  13           HB1      SER  13  -2.688   2.955   8.085
  283    HG   SER  13           HG       SER  13  -1.808   0.290   8.426
  284    H    MET  14           HN       MET  14  -1.994   4.433   5.845
  285    HA   MET  14           HA       MET  14  -0.272   4.470   3.655
  286    HB2  MET  14           HB2      MET  14  -1.644   6.384   4.619
  287    HB3  MET  14           HB1      MET  14  -0.349   6.600   5.782
  288    HG2  MET  14           HG2      MET  14   1.225   7.043   3.995
  289    HG3  MET  14           HG1      MET  14  -0.032   6.759   2.793
  290    HE1  MET  14           HE1      MET  14  -2.370   9.800   3.155
  291    HE2  MET  14           HE2      MET  14  -2.589   8.187   3.832
  292    HE3  MET  14           HE3      MET  14  -1.932   8.379   2.207
  293    H    THR  15           HN       THR  15   0.401   4.582   7.073
  294    HA   THR  15           HA       THR  15   3.154   5.036   7.019
  295    HB   THR  15           HB       THR  15   2.945   3.566   9.240
  296    HG1  THR  15           HG1      THR  15   0.931   2.803   9.227
  297   HG21  THR  15          HG21      THR  15   3.415   5.965   9.182
  298   HG22  THR  15          HG22      THR  15   2.212   5.598  10.419
  299   HG23  THR  15          HG23      THR  15   1.710   6.302   8.882
  300    H    ASP  16           HN       ASP  16   1.303   2.039   6.943
  301    HA   ASP  16           HA       ASP  16   3.418   0.219   7.091
  302    HB2  ASP  16           HB2      ASP  16   0.949  -0.346   5.465
  303    HB3  ASP  16           HB1      ASP  16   1.879  -1.448   6.468
  304    H    LEU  17           HN       LEU  17   1.966   1.906   4.372
  305    HA   LEU  17           HA       LEU  17   3.383   0.483   2.349
  306    HB2  LEU  17           HB2      LEU  17   2.445   3.309   1.981
  307    HB3  LEU  17           HB1      LEU  17   2.469   1.996   0.822
  308    HG   LEU  17           HG       LEU  17   0.565   2.216   3.154
  309   HD11  LEU  17          HD11      LEU  17   0.119   2.670   0.210
  310   HD12  LEU  17          HD12      LEU  17   0.127   3.908   1.465
  311   HD13  LEU  17          HD13      LEU  17  -1.129   2.670   1.456
  312   HD21  LEU  17          HD21      LEU  17   1.020  -0.091   2.562
  313   HD22  LEU  17          HD22      LEU  17   0.684   0.259   0.866
  314   HD23  LEU  17          HD23      LEU  17  -0.607   0.367   2.062
  315    H    SER  18           HN       SER  18   3.985   3.418   4.213
  316    HA   SER  18           HA       SER  18   6.228   4.332   2.750
  317    HB2  SER  18           HB2      SER  18   5.813   4.738   5.717
  318    HB3  SER  18           HB1      SER  18   6.617   5.813   4.572
  319    HG   SER  18           HG       SER  18   4.242   5.546   3.606
  320    H    ALA  19           HN       ALA  19   5.803   1.911   5.228
  321    HA   ALA  19           HA       ALA  19   8.561   1.590   5.870
  322    HB1  ALA  19           HB1      ALA  19   6.272  -0.354   6.190
  323    HB2  ALA  19           HB2      ALA  19   6.787   0.840   7.381
  324    HB3  ALA  19           HB3      ALA  19   7.858  -0.492   6.948
  325    H    LEU  20           HN       LEU  20   6.525   0.574   3.306
  326    HA   LEU  20           HA       LEU  20   8.307  -1.533   2.394
  327    HB2  LEU  20           HB2      LEU  20   5.672  -1.339   2.199
  328    HB3  LEU  20           HB1      LEU  20   6.065  -0.432   0.751
  329    HG   LEU  20           HG       LEU  20   7.433  -2.446   0.020
  330   HD11  LEU  20          HD11      LEU  20   6.723  -4.593   1.042
  331   HD12  LEU  20          HD12      LEU  20   5.916  -3.672   2.313
  332   HD13  LEU  20          HD13      LEU  20   7.667  -3.570   2.125
  333   HD21  LEU  20          HD21      LEU  20   5.460  -3.643  -0.791
  334   HD22  LEU  20          HD22      LEU  20   5.266  -1.898  -0.949
  335   HD23  LEU  20          HD23      LEU  20   4.452  -2.760   0.356
  336    H    CYS  21           HN       CYS  21   7.880   1.800   2.089
  337    HA   CYS  21           HA       CYS  21   9.076   2.092  -0.520
  338    HB2  CYS  21           HB2      CYS  21   8.065   3.974   1.590
  339    HB3  CYS  21           HB1      CYS  21   9.045   4.583   0.267
  340    HN1  NH2  22           H1       NH2  22  10.935   0.732   0.419
  341    HN2  NH2  22           H2       NH2  22  12.269   1.622   1.066
  Start of MODEL    2
    1    H1   LYS   1           HN       LYS   1  -6.257   0.684  12.733
    2    HA   LYS   1           HA       LYS   1  -3.963   2.055  11.951
    3    HB2  LYS   1           HB2      LYS   1  -3.123   0.329  10.252
    4    HB3  LYS   1           HB1      LYS   1  -2.679   0.085  11.934
    5    HG2  LYS   1           HG2      LYS   1  -4.536  -1.548  12.137
    6    HG3  LYS   1           HG1      LYS   1  -4.838  -1.360  10.409
    7    HD2  LYS   1           HD2      LYS   1  -2.490  -2.075   9.983
    8    HD3  LYS   1           HD1      LYS   1  -2.317  -2.394  11.710
    9    HE2  LYS   1           HE2      LYS   1  -2.870  -4.488  10.961
   10    HE3  LYS   1           HE1      LYS   1  -4.472  -3.851  11.327
   11    HZ1  LYS   1           HZ1      LYS   1  -4.499  -4.923   9.191
   12    HZ2  LYS   1           HZ2      LYS   1  -3.196  -3.981   8.650
   13    HZ3  LYS   1           HZ3      LYS   1  -4.687  -3.248   8.963
   14    H    GLU   2           HN       GLU   2  -4.090   2.821   9.774
   15    HA   GLU   2           HA       GLU   2  -6.825   2.879   8.803
   16    HB2  GLU   2           HB2      GLU   2  -5.149   4.274   7.006
   17    HB3  GLU   2           HB1      GLU   2  -6.254   4.940   8.195
   18    HG2  GLU   2           HG2      GLU   2  -4.136   5.944   8.546
   19    HG3  GLU   2           HG1      GLU   2  -4.406   4.814   9.871
   20    H    SER   3           HN       SER   3  -6.516   0.498   8.413
   21    HA   SER   3           HA       SER   3  -5.028  -0.258   6.070
   22    HB2  SER   3           HB2      SER   3  -7.013  -1.886   7.656
   23    HB3  SER   3           HB1      SER   3  -5.764  -2.492   6.565
   24    HG   SER   3           HG       SER   3  -4.386  -1.091   8.158
   25    H    VAL   4           HN       VAL   4  -5.726   0.192   4.122
   26    HA   VAL   4           HA       VAL   4  -8.617   0.171   3.568
   27    HB   VAL   4           HB       VAL   4  -6.527   1.137   1.631
   28   HG11  VAL   4          HG11      VAL   4  -8.357   2.599   0.874
   29   HG12  VAL   4          HG12      VAL   4  -9.410   1.886   2.095
   30   HG13  VAL   4          HG13      VAL   4  -8.782   0.890   0.783
   31   HG21  VAL   4          HG21      VAL   4  -7.736   2.778   3.853
   32   HG22  VAL   4          HG22      VAL   4  -6.753   3.406   2.530
   33   HG23  VAL   4          HG23      VAL   4  -6.043   2.304   3.710
   34    H    ARG   5           HN       ARG   5  -9.258  -0.817   1.467
   35    HA   ARG   5           HA       ARG   5  -7.836  -3.345   1.193
   36    HB2  ARG   5           HB2      ARG   5 -10.622  -2.450   0.721
   37    HB3  ARG   5           HB1      ARG   5 -10.013  -3.735  -0.314
   38    HG2  ARG   5           HG2      ARG   5 -11.081  -4.780   1.513
   39    HG3  ARG   5           HG1      ARG   5  -9.346  -4.958   1.772
   40    HD2  ARG   5           HD2      ARG   5  -9.440  -2.970   3.273
   41    HD3  ARG   5           HD1      ARG   5 -11.197  -2.997   3.112
   42    HE   ARG   5           HE       ARG   5 -10.593  -5.518   3.912
   43   HH11  ARG   5          HH11      ARG   5  -9.800  -2.350   5.188
   44   HH12  ARG   5          HH12      ARG   5  -9.706  -2.898   6.826
   45   HH21  ARG   5          HH21      ARG   5 -10.486  -6.234   6.069
   46   HH22  ARG   5          HH22      ARG   5 -10.091  -5.112   7.331
   47    H    LEU   6           HN       LEU   6  -6.096  -2.711  -0.059
   48    HA   LEU   6           HA       LEU   6  -6.725  -1.871  -2.810
   49    HB2  LEU   6           HB2      LEU   6  -4.118  -1.739  -1.283
   50    HB3  LEU   6           HB1      LEU   6  -4.298  -1.325  -2.972
   51    HG   LEU   6           HG       LEU   6  -4.344   0.760  -2.066
   52   HD11  LEU   6          HD11      LEU   6  -7.227  -0.056  -1.765
   53   HD12  LEU   6          HD12      LEU   6  -6.449   0.517  -3.239
   54   HD13  LEU   6          HD13      LEU   6  -6.629   1.601  -1.861
   55   HD21  LEU   6          HD21      LEU   6  -4.051   0.000   0.232
   56   HD22  LEU   6          HD22      LEU   6  -5.783  -0.313   0.350
   57   HD23  LEU   6          HD23      LEU   6  -5.197   1.336   0.128
   58    H    CYS   7           HN       CYS   7  -6.992  -3.662  -4.012
   59    HA   CYS   7           HA       CYS   7  -5.288  -5.977  -3.465
   60    HB2  CYS   7           HB2      CYS   7  -7.675  -5.912  -5.303
   61    HB3  CYS   7           HB1      CYS   7  -6.920  -7.312  -4.547
   62    H    GLY   8           HN       GLY   8  -3.563  -6.303  -4.646
   63    HA2  GLY   8           HA2      GLY   8  -2.084  -6.368  -6.390
   64    HA3  GLY   8           HA1      GLY   8  -3.493  -6.501  -7.425
   65    H    LEU   9           HN       LEU   9  -3.977  -4.871  -8.737
   66    HA   LEU   9           HA       LEU   9  -2.136  -2.907  -9.369
   67    HB2  LEU   9           HB2      LEU   9  -5.110  -2.912  -9.882
   68    HB3  LEU   9           HB1      LEU   9  -3.954  -1.864 -10.681
   69    HG   LEU   9           HG       LEU   9  -3.950  -4.877 -10.873
   70   HD11  LEU   9          HD11      LEU   9  -5.926  -3.943 -11.937
   71   HD12  LEU   9          HD12      LEU   9  -4.787  -4.533 -13.147
   72   HD13  LEU   9          HD13      LEU   9  -4.921  -2.803 -12.833
   73   HD21  LEU   9          HD21      LEU   9  -2.368  -2.750 -12.311
   74   HD22  LEU   9          HD22      LEU   9  -2.397  -4.456 -12.756
   75   HD23  LEU   9          HD23      LEU   9  -1.744  -3.964 -11.194
   76    H    GLU  10           HN       GLU  10  -4.987  -2.694  -7.295
   77    HA   GLU  10           HA       GLU  10  -4.872   0.088  -6.862
   78    HB2  GLU  10           HB2      GLU  10  -5.925  -1.959  -4.908
   79    HB3  GLU  10           HB1      GLU  10  -6.411  -0.278  -5.064
   80    HG2  GLU  10           HG2      GLU  10  -7.039  -2.582  -6.870
   81    HG3  GLU  10           HG1      GLU  10  -8.148  -1.496  -6.034
   82    H    TYR  11           HN       TYR  11  -3.408  -2.642  -5.192
   83    HA   TYR  11           HA       TYR  11  -2.308  -1.174  -3.028
   84    HB2  TYR  11           HB2      TYR  11  -2.557  -3.562  -2.817
   85    HB3  TYR  11           HB1      TYR  11  -1.581  -3.845  -4.252
   86    HD1  TYR  11           HD2      TYR  11  -1.514  -2.975  -0.693
   87    HD2  TYR  11           HD1      TYR  11   0.842  -3.727  -4.154
   88    HE1  TYR  11           HE2      TYR  11   0.490  -3.176   0.719
   89    HE2  TYR  11           HE1      TYR  11   2.849  -3.930  -2.752
   90    HH   TYR  11           HH       TYR  11   3.643  -3.209  -0.568
   91    H    ILE  12           HN       ILE  12  -0.879  -2.474  -5.992
   92    HA   ILE  12           HA       ILE  12   1.692  -1.476  -5.735
   93    HB   ILE  12           HB       ILE  12   0.081  -1.900  -8.255
   94   HG12  ILE  12          HG12      ILE  12   2.139  -3.746  -7.058
   95   HG13  ILE  12          HG11      ILE  12   0.433  -3.843  -6.626
   96   HG21  ILE  12          HG21      ILE  12   2.248  -2.107  -9.390
   97   HG22  ILE  12          HG22      ILE  12   3.066  -1.653  -7.895
   98   HG23  ILE  12          HG23      ILE  12   2.012  -0.497  -8.711
   99   HD11  ILE  12          HD11      ILE  12   0.980  -5.450  -8.349
  100   HD12  ILE  12          HD12      ILE  12   1.582  -4.156  -9.387
  101   HD13  ILE  12          HD13      ILE  12  -0.130  -4.227  -8.971
  102    H    ARG  13           HN       ARG  13  -1.107   0.015  -7.332
  103    HA   ARG  13           HA       ARG  13   0.140   2.322  -8.279
  104    HB2  ARG  13           HB2      ARG  13  -2.252   1.354  -8.664
  105    HB3  ARG  13           HB1      ARG  13  -2.687   2.364  -7.293
  106    HG2  ARG  13           HG2      ARG  13  -1.893   4.338  -8.480
  107    HG3  ARG  13           HG1      ARG  13  -1.428   3.329  -9.852
  108    HD2  ARG  13           HD2      ARG  13  -4.198   3.849  -8.794
  109    HD3  ARG  13           HD1      ARG  13  -3.543   4.295 -10.369
  110    HE   ARG  13           HE       ARG  13  -3.500   1.907 -10.905
  111   HH11  ARG  13          HH11      ARG  13  -5.512   2.924  -8.222
  112   HH12  ARG  13          HH12      ARG  13  -6.548   1.525  -8.293
  113   HH21  ARG  13          HH21      ARG  13  -4.883   0.074 -11.007
  114   HH22  ARG  13          HH22      ARG  13  -6.176  -0.098  -9.852
  115    H    THR  14           HN       THR  14  -1.448   1.726  -5.164
  116    HA   THR  14           HA       THR  14  -1.138   4.386  -4.225
  117    HB   THR  14           HB       THR  14  -1.483   1.900  -2.541
  118    HG1  THR  14           HG1      THR  14  -3.227   1.806  -3.833
  119   HG21  THR  14          HG21      THR  14  -0.928   3.943  -1.291
  120   HG22  THR  14          HG22      THR  14  -2.586   3.428  -0.976
  121   HG23  THR  14          HG23      THR  14  -2.274   4.780  -2.065
  122    H    VAL  15           HN       VAL  15   0.781   1.426  -3.845
  123    HA   VAL  15           HA       VAL  15   2.590   2.475  -1.944
  124    HB   VAL  15           HB       VAL  15   2.904   0.201  -3.904
  125   HG11  VAL  15          HG11      VAL  15   4.708   0.951  -1.602
  126   HG12  VAL  15          HG12      VAL  15   5.112   1.087  -3.313
  127   HG13  VAL  15          HG13      VAL  15   4.843  -0.501  -2.594
  128   HG21  VAL  15          HG21      VAL  15   1.189  -0.112  -2.199
  129   HG22  VAL  15          HG22      VAL  15   2.364   0.264  -0.938
  130   HG23  VAL  15          HG23      VAL  15   2.559  -1.188  -1.920
  131    H    ILE  16           HN       ILE  16   2.885   2.143  -5.497
  132    HA   ILE  16           HA       ILE  16   5.444   3.315  -5.638
  133    HB   ILE  16           HB       ILE  16   5.030   3.664  -8.029
  134   HG12  ILE  16          HG12      ILE  16   2.226   2.682  -7.445
  135   HG13  ILE  16          HG11      ILE  16   2.652   4.335  -7.874
  136   HG21  ILE  16          HG21      ILE  16   4.662   1.311  -8.626
  137   HG22  ILE  16          HG22      ILE  16   4.088   0.996  -6.988
  138   HG23  ILE  16          HG23      ILE  16   5.760   1.488  -7.258
  139   HD11  ILE  16          HD11      ILE  16   1.759   3.173  -9.787
  140   HD12  ILE  16          HD12      ILE  16   2.968   1.900  -9.614
  141   HD13  ILE  16          HD13      ILE  16   3.465   3.536 -10.049
  142    H    TYR  17           HN       TYR  17   2.239   4.705  -5.531
  143    HA   TYR  17           HA       TYR  17   2.918   7.314  -6.367
  144    HB2  TYR  17           HB2      TYR  17   0.591   6.445  -6.222
  145    HB3  TYR  17           HB1      TYR  17   0.717   6.473  -4.466
  146    HD1  TYR  17           HD2      TYR  17   0.957   8.700  -7.447
  147    HD2  TYR  17           HD1      TYR  17   0.081   8.384  -3.294
  148    HE1  TYR  17           HE2      TYR  17   0.177  11.032  -7.439
  149    HE2  TYR  17           HE1      TYR  17  -0.702  10.715  -3.276
  150    HH   TYR  17           HH       TYR  17  -1.252  12.490  -6.149
  151    H    ILE  18           HN       ILE  18   2.579   5.890  -3.125
  152    HA   ILE  18           HA       ILE  18   3.369   8.201  -1.707
  153    HB   ILE  18           HB       ILE  18   3.554   5.303  -0.862
  154   HG12  ILE  18          HG12      ILE  18   1.423   7.350  -0.221
  155   HG13  ILE  18          HG11      ILE  18   1.274   6.152  -1.503
  156   HG21  ILE  18          HG21      ILE  18   3.583   6.173   1.431
  157   HG22  ILE  18          HG22      ILE  18   3.632   7.819   0.801
  158   HG23  ILE  18          HG23      ILE  18   4.982   6.723   0.508
  159   HD11  ILE  18          HD11      ILE  18   0.100   5.456   0.503
  160   HD12  ILE  18          HD12      ILE  18   1.596   5.564   1.431
  161   HD13  ILE  18          HD13      ILE  18   1.438   4.365   0.146
  162    H    CYS  19           HN       CYS  19   5.176   5.315  -2.722
  163    HA   CYS  19           HA       CYS  19   7.640   5.980  -1.608
  164    HB2  CYS  19           HB2      CYS  19   6.855   4.303  -3.973
  165    HB3  CYS  19           HB1      CYS  19   8.549   4.549  -3.571
  166    H    ALA  20           HN       ALA  20   6.278   6.853  -4.774
  167    HA   ALA  20           HA       ALA  20   8.627   8.150  -5.705
  168    HB1  ALA  20           HB1      ALA  20   7.212   9.087  -7.453
  169    HB2  ALA  20           HB2      ALA  20   5.772   8.557  -6.583
  170    HB3  ALA  20           HB3      ALA  20   6.894   7.364  -7.239
  171    H    SER  21           HN       SER  21   5.614   9.394  -4.270
  172    HA   SER  21           HA       SER  21   6.217  12.105  -4.373
  173    HB2  SER  21           HB2      SER  21   4.650  10.687  -2.208
  174    HB3  SER  21           HB1      SER  21   4.537  12.394  -2.637
  175    HG   SER  21           HG       SER  21   3.675  10.132  -4.086
  176    H    SER  22           HN       SER  22   7.170   9.683  -1.998
  177    HA   SER  22           HA       SER  22   8.287  11.540  -0.150
  178    HB2  SER  22           HB2      SER  22   8.913   8.593  -0.427
  179    HB3  SER  22           HB1      SER  22   9.136   9.599   1.006
  180    HG   SER  22           HG       SER  22   6.735   8.683  -0.171
  181    H    ARG  23           HN       ARG  23   9.401  10.197  -3.108
  182    HA   ARG  23           HA       ARG  23  12.198  10.699  -2.450
  183    HB2  ARG  23           HB2      ARG  23  12.762   9.308  -4.156
  184    HB3  ARG  23           HB1      ARG  23  11.121   8.729  -3.926
  185    HG2  ARG  23           HG2      ARG  23  10.711   9.162  -6.056
  186    HG3  ARG  23           HG1      ARG  23  10.950  10.879  -5.729
  187    HD2  ARG  23           HD2      ARG  23  13.178   8.954  -6.386
  188    HD3  ARG  23           HD1      ARG  23  12.364   9.967  -7.578
  189    HE   ARG  23           HE       ARG  23  13.245  11.642  -5.534
  190   HH11  ARG  23          HH11      ARG  23  14.647   9.549  -7.969
  191   HH12  ARG  23          HH12      ARG  23  16.104  10.474  -8.111
  192   HH21  ARG  23          HH21      ARG  23  15.149  12.866  -5.716
  193   HH22  ARG  23          HH22      ARG  23  16.393  12.375  -6.820
  194    H    TRP  24           HN       TRP  24   9.544  12.258  -3.901
  195    HA   TRP  24           HA       TRP  24  11.182  14.066  -5.480
  196    HB2  TRP  24           HB2      TRP  24   8.194  14.023  -4.996
  197    HB3  TRP  24           HB1      TRP  24   9.021  15.138  -6.075
  198    HD1  TRP  24           HD1      TRP  24   6.904  12.404  -6.476
  199    HE1  TRP  24           HE1      TRP  24   7.424  10.966  -8.542
  200    HE3  TRP  24           HE3      TRP  24  11.673  13.998  -7.403
  201    HZ2  TRP  24           HZ2      TRP  24   9.567  10.557 -10.326
  202    HZ3  TRP  24           HZ3      TRP  24  12.888  13.031  -9.308
  203    HH2  TRP  24           HH2      TRP  24  11.856  11.345 -10.739
  204    HN1  NH2  25           H1       NH2  25   8.959  14.265  -2.728
  205    HN2  NH2  25           H2       NH2  25   9.614  15.729  -2.083
  206    H1   PCA   1           HN       PCA   1  -2.170 -12.185   4.993
  207    HA   PCA   1           HA       PCA   1  -0.610 -14.147   5.247
  208    HB2  PCA   1           HB2      PCA   1  -0.479 -14.685   2.416
  209    HB3  PCA   1           HB1      PCA   1  -1.050 -15.756   3.712
  210    HG2  PCA   1           HG2      PCA   1  -2.624 -14.374   1.771
  211    HG3  PCA   1           HG1      PCA   1  -3.184 -15.413   3.102
  212    H    ASP   2           HN       ASP   2  -0.431 -12.737   2.018
  213    HA   ASP   2           HA       ASP   2   2.232 -11.735   2.567
  214    HB2  ASP   2           HB2      ASP   2   2.361 -12.601   0.466
  215    HB3  ASP   2           HB1      ASP   2   0.651 -12.349   0.149
  216    H    LEU   3           HN       LEU   3   2.795  -9.459   2.051
  217    HA   LEU   3           HA       LEU   3   1.156  -7.668   3.434
  218    HB2  LEU   3           HB2      LEU   3   3.584  -7.385   3.069
  219    HB3  LEU   3           HB1      LEU   3   3.271  -7.012   1.386
  220    HG   LEU   3           HG       LEU   3   2.085  -4.981   2.016
  221   HD11  LEU   3          HD11      LEU   3   1.089  -5.663   4.099
  222   HD12  LEU   3          HD12      LEU   3   2.085  -4.232   4.373
  223   HD13  LEU   3          HD13      LEU   3   2.678  -5.824   4.848
  224   HD21  LEU   3          HD21      LEU   3   3.968  -3.726   2.947
  225   HD22  LEU   3          HD22      LEU   3   4.492  -4.851   1.694
  226   HD23  LEU   3          HD23      LEU   3   4.754  -5.240   3.394
  227    H    GLN   4           HN       GLN   4   1.471  -8.216  -0.050
  228    HA   GLN   4           HA       GLN   4  -0.378  -6.116  -0.735
  229    HB2  GLN   4           HB2      GLN   4   0.313  -8.388  -2.572
  230    HB3  GLN   4           HB1      GLN   4   0.015  -6.700  -2.963
  231    HG2  GLN   4           HG2      GLN   4   2.145  -6.054  -2.433
  232    HG3  GLN   4           HG1      GLN   4   2.384  -7.382  -1.299
  233   HE21  GLN   4          HE21      GLN   4   2.945  -9.419  -2.082
  234   HE22  GLN   4          HE22      GLN   4   3.594  -9.627  -3.674
  235    H    THR   5           HN       THR   5  -0.418  -9.615  -0.537
  236    HA   THR   5           HA       THR   5  -3.017 -10.113  -1.419
  237    HB   THR   5           HB       THR   5  -1.358 -11.671   0.587
  238    HG1  THR   5           HG1      THR   5  -0.327 -11.323  -1.462
  239   HG21  THR   5          HG21      THR   5  -3.708 -12.496  -1.140
  240   HG22  THR   5          HG22      THR   5  -3.668 -12.422   0.621
  241   HG23  THR   5          HG23      THR   5  -2.685 -13.611  -0.235
  242    H    LEU   6           HN       LEU   6  -1.811  -9.680   1.909
  243    HA   LEU   6           HA       LEU   6  -4.331 -10.024   3.150
  244    HB2  LEU   6           HB2      LEU   6  -2.137 -10.266   4.293
  245    HB3  LEU   6           HB1      LEU   6  -1.939  -8.529   4.205
  246    HG   LEU   6           HG       LEU   6  -4.216  -8.489   5.489
  247   HD11  LEU   6          HD11      LEU   6  -4.511 -10.365   6.995
  248   HD12  LEU   6          HD12      LEU   6  -3.145 -11.199   6.254
  249   HD13  LEU   6          HD13      LEU   6  -4.610 -10.902   5.318
  250   HD21  LEU   6          HD21      LEU   6  -1.607  -9.242   6.799
  251   HD22  LEU   6          HD22      LEU   6  -2.987  -8.502   7.611
  252   HD23  LEU   6          HD23      LEU   6  -2.122  -7.614   6.356
  253    H    CYS   7           HN       CYS   7  -2.932  -7.350   1.486
  254    HA   CYS   7           HA       CYS   7  -4.355  -5.287   2.809
  255    HB2  CYS   7           HB2      CYS   7  -2.392  -4.852   1.347
  256    HB3  CYS   7           HB1      CYS   7  -3.363  -5.302  -0.051
  257    H    CYS   8           HN       CYS   8  -5.310  -7.735   0.648
  258    HA   CYS   8           HA       CYS   8  -7.698  -6.322  -0.234
  259    HB2  CYS   8           HB2      CYS   8  -6.236  -7.985  -1.626
  260    HB3  CYS   8           HB1      CYS   8  -7.138  -9.225  -0.767
  261    H    THR   9           HN       THR   9  -6.673  -8.435   2.261
  262    HA   THR   9           HA       THR   9  -9.424  -9.233   2.891
  263    HB   THR   9           HB       THR   9  -8.166 -10.674   4.654
  264    HG1  THR   9           HG1      THR   9  -5.996 -11.197   3.602
  265   HG21  THR   9          HG21      THR   9  -7.771 -12.441   2.998
  266   HG22  THR   9          HG22      THR   9  -7.881 -11.250   1.704
  267   HG23  THR   9          HG23      THR   9  -9.295 -11.606   2.696
  268    H    ASP  10           HN       ASP  10  -6.606  -8.566   4.951
  269    HA   ASP  10           HA       ASP  10  -8.254  -7.295   6.956
  270    HB2  ASP  10           HB2      ASP  10  -6.317  -8.712   7.585
  271    HB3  ASP  10           HB1      ASP  10  -5.244  -7.571   6.790
  272    H    GLY  11           HN       GLY  11  -6.208  -6.365   4.344
  273    HA2  GLY  11           HA2      GLY  11  -6.287  -4.267   3.287
  274    HA3  GLY  11           HA1      GLY  11  -6.977  -3.580   4.751
  275    H    CYS  12           HN       CYS  12  -4.631  -2.833   3.024
  276    HA   CYS  12           HA       CYS  12  -2.535  -2.990   5.070
  277    HB2  CYS  12           HB2      CYS  12  -0.974  -2.291   3.287
  278    HB3  CYS  12           HB1      CYS  12  -1.810  -3.784   2.887
  279    H    SER  13           HN       SER  13  -1.845  -1.216   6.090
  280    HA   SER  13           HA       SER  13  -3.438   1.186   5.740
  281    HB2  SER  13           HB2      SER  13  -1.267   1.128   7.748
  282    HB3  SER  13           HB1      SER  13  -2.959   1.601   7.927
  283    HG   SER  13           HG       SER  13  -1.777  -0.953   8.070
  284    H    MET  14           HN       MET  14  -2.402   3.316   5.683
  285    HA   MET  14           HA       MET  14  -0.493   3.495   3.602
  286    HB2  MET  14           HB2      MET  14  -2.205   5.253   4.298
  287    HB3  MET  14           HB1      MET  14  -1.123   5.654   5.618
  288    HG2  MET  14           HG2      MET  14   0.638   6.189   3.994
  289    HG3  MET  14           HG1      MET  14  -0.489   5.847   2.684
  290    HE1  MET  14           HE1      MET  14  -0.901   9.346   5.663
  291    HE2  MET  14           HE2      MET  14   0.358   8.114   5.718
  292    HE3  MET  14           HE3      MET  14  -1.306   7.693   6.124
  293    H    THR  15           HN       THR  15  -0.376   3.628   7.056
  294    HA   THR  15           HA       THR  15   2.262   4.402   7.488
  295    HB   THR  15           HB       THR  15   0.774   2.338   9.127
  296    HG1  THR  15           HG1      THR  15  -0.653   3.916   9.334
  297   HG21  THR  15          HG21      THR  15   2.046   3.290  10.993
  298   HG22  THR  15          HG22      THR  15   2.842   4.408   9.885
  299   HG23  THR  15          HG23      THR  15   3.124   2.673   9.741
  300    H    ASP  16           HN       ASP  16   0.908   1.146   7.028
  301    HA   ASP  16           HA       ASP  16   3.273  -0.323   7.220
  302    HB2  ASP  16           HB2      ASP  16   1.081  -1.095   5.301
  303    HB3  ASP  16           HB1      ASP  16   2.110  -2.142   6.266
  304    H    LEU  17           HN       LEU  17   1.700   1.165   4.421
  305    HA   LEU  17           HA       LEU  17   3.527   0.238   2.474
  306    HB2  LEU  17           HB2      LEU  17   2.077   2.862   2.251
  307    HB3  LEU  17           HB1      LEU  17   2.518   1.747   0.975
  308    HG   LEU  17           HG       LEU  17   0.338   1.354   3.022
  309   HD11  LEU  17          HD11      LEU  17  -0.222   2.953   1.283
  310   HD12  LEU  17          HD12      LEU  17  -1.143   1.462   1.084
  311   HD13  LEU  17          HD13      LEU  17   0.243   1.787   0.044
  312   HD21  LEU  17          HD21      LEU  17  -0.203  -0.684   1.790
  313   HD22  LEU  17          HD22      LEU  17   1.403  -0.769   2.512
  314   HD23  LEU  17          HD23      LEU  17   1.228  -0.458   0.784
  315    H    SER  18           HN       SER  18   3.479   3.113   4.517
  316    HA   SER  18           HA       SER  18   5.606   4.485   3.272
  317    HB2  SER  18           HB2      SER  18   4.805   4.582   6.194
  318    HB3  SER  18           HB1      SER  18   5.718   5.807   5.313
  319    HG   SER  18           HG       SER  18   3.033   5.014   4.801
  320    H    ALA  19           HN       ALA  19   5.505   1.975   5.739
  321    HA   ALA  19           HA       ALA  19   8.256   2.089   6.435
  322    HB1  ALA  19           HB1      ALA  19   7.882  -0.097   7.468
  323    HB2  ALA  19           HB2      ALA  19   6.320  -0.217   6.658
  324    HB3  ALA  19           HB3      ALA  19   6.587   1.028   7.878
  325    H    LEU  20           HN       LEU  20   6.482   0.729   3.821
  326    HA   LEU  20           HA       LEU  20   8.621  -1.023   2.944
  327    HB2  LEU  20           HB2      LEU  20   6.092  -1.417   2.667
  328    HB3  LEU  20           HB1      LEU  20   6.174  -0.232   1.378
  329    HG   LEU  20           HG       LEU  20   8.056  -1.795   0.442
  330   HD11  LEU  20          HD11      LEU  20   6.491  -3.641   2.234
  331   HD12  LEU  20          HD12      LEU  20   8.213  -3.271   2.338
  332   HD13  LEU  20          HD13      LEU  20   7.585  -4.166   0.953
  333   HD21  LEU  20          HD21      LEU  20   6.353  -3.046  -0.807
  334   HD22  LEU  20          HD22      LEU  20   5.960  -1.330  -0.691
  335   HD23  LEU  20          HD23      LEU  20   5.126  -2.497   0.335
  336    H    CYS  21           HN       CYS  21   7.545   2.193   2.525
  337    HA   CYS  21           HA       CYS  21   8.930   2.633   0.020
  338    HB2  CYS  21           HB2      CYS  21   7.197   4.279   1.827
  339    HB3  CYS  21           HB1      CYS  21   8.207   5.085   0.637
  340    HN1  NH2  22           H1       NH2  22  10.894   1.800   1.345
  341    HN2  NH2  22           H2       NH2  22  11.889   3.031   2.039
  Start of MODEL    3
    1    H1   LYS   1           HN       LYS   1  -6.612   2.407  12.751
    2    HA   LYS   1           HA       LYS   1  -4.085   3.545  12.238
    3    HB2  LYS   1           HB2      LYS   1  -4.433   0.633  11.520
    4    HB3  LYS   1           HB1      LYS   1  -3.255   1.672  10.733
    5    HG2  LYS   1           HG2      LYS   1  -3.308   1.321  13.710
    6    HG3  LYS   1           HG1      LYS   1  -2.453   0.199  12.652
    7    HD2  LYS   1           HD2      LYS   1  -1.923   3.084  12.244
    8    HD3  LYS   1           HD1      LYS   1  -1.298   2.366  13.729
    9    HE2  LYS   1           HE2      LYS   1   0.441   2.137  12.170
   10    HE3  LYS   1           HE1      LYS   1  -0.313   0.546  12.241
   11    HZ1  LYS   1           HZ1      LYS   1  -1.540   1.101  10.219
   12    HZ2  LYS   1           HZ2      LYS   1   0.132   1.175   9.964
   13    HZ3  LYS   1           HZ3      LYS   1  -0.767   2.607  10.147
   14    H    GLU   2           HN       GLU   2  -3.717   3.788   9.856
   15    HA   GLU   2           HA       GLU   2  -6.255   4.408   8.577
   16    HB2  GLU   2           HB2      GLU   2  -4.055   4.977   6.862
   17    HB3  GLU   2           HB1      GLU   2  -5.105   6.098   7.707
   18    HG2  GLU   2           HG2      GLU   2  -2.881   6.654   8.291
   19    HG3  GLU   2           HG1      GLU   2  -3.601   5.876   9.698
   20    H    SER   3           HN       SER   3  -6.324   1.875   8.706
   21    HA   SER   3           HA       SER   3  -4.977   0.518   6.553
   22    HB2  SER   3           HB2      SER   3  -7.194  -0.551   8.298
   23    HB3  SER   3           HB1      SER   3  -5.979  -1.471   7.410
   24    HG   SER   3           HG       SER   3  -4.435  -0.197   8.801
   25    H    VAL   4           HN       VAL   4  -5.625   0.488   4.549
   26    HA   VAL   4           HA       VAL   4  -8.504   0.739   3.942
   27    HB   VAL   4           HB       VAL   4  -6.393   1.524   1.958
   28   HG11  VAL   4          HG11      VAL   4  -8.168   3.001   1.130
   29   HG12  VAL   4          HG12      VAL   4  -9.227   2.439   2.423
   30   HG13  VAL   4          HG13      VAL   4  -8.681   1.314   1.179
   31   HG21  VAL   4          HG21      VAL   4  -5.823   2.795   3.958
   32   HG22  VAL   4          HG22      VAL   4  -7.491   3.353   4.092
   33   HG23  VAL   4          HG23      VAL   4  -6.502   3.850   2.719
   34    H    ARG   5           HN       ARG   5  -9.153  -0.432   1.949
   35    HA   ARG   5           HA       ARG   5  -7.578  -2.884   1.716
   36    HB2  ARG   5           HB2      ARG   5 -10.469  -2.268   1.462
   37    HB3  ARG   5           HB1      ARG   5  -9.832  -3.554   0.440
   38    HG2  ARG   5           HG2      ARG   5  -9.066  -4.784   2.322
   39    HG3  ARG   5           HG1      ARG   5  -9.396  -3.439   3.410
   40    HD2  ARG   5           HD2      ARG   5 -11.827  -3.686   2.801
   41    HD3  ARG   5           HD1      ARG   5 -11.385  -5.181   1.971
   42    HE   ARG   5           HE       ARG   5 -10.682  -4.840   4.805
   43   HH11  ARG   5          HH11      ARG   5 -12.524  -6.511   2.342
   44   HH12  ARG   5          HH12      ARG   5 -12.943  -7.833   3.375
   45   HH21  ARG   5          HH21      ARG   5 -11.215  -6.584   6.177
   46   HH22  ARG   5          HH22      ARG   5 -12.197  -7.875   5.560
   47    H    LEU   6           HN       LEU   6  -6.091  -2.644   0.231
   48    HA   LEU   6           HA       LEU   6  -6.842  -1.579  -2.408
   49    HB2  LEU   6           HB2      LEU   6  -4.119  -1.876  -1.126
   50    HB3  LEU   6           HB1      LEU   6  -4.387  -1.328  -2.766
   51    HG   LEU   6           HG       LEU   6  -4.045   0.665  -1.689
   52   HD11  LEU   6          HD11      LEU   6  -6.201   0.780  -2.811
   53   HD12  LEU   6          HD12      LEU   6  -6.164   1.817  -1.386
   54   HD13  LEU   6          HD13      LEU   6  -7.009   0.270  -1.328
   55   HD21  LEU   6          HD21      LEU   6  -4.776   1.202   0.569
   56   HD22  LEU   6          HD22      LEU   6  -3.813  -0.276   0.546
   57   HD23  LEU   6          HD23      LEU   6  -5.568  -0.369   0.696
   58    H    CYS   7           HN       CYS   7  -7.209  -3.119  -3.889
   59    HA   CYS   7           HA       CYS   7  -5.989  -5.751  -3.482
   60    HB2  CYS   7           HB2      CYS   7  -8.287  -4.989  -5.288
   61    HB3  CYS   7           HB1      CYS   7  -7.739  -6.622  -4.923
   62    H    GLY   8           HN       GLY   8  -4.211  -6.164  -4.561
   63    HA2  GLY   8           HA2      GLY   8  -2.631  -6.276  -6.214
   64    HA3  GLY   8           HA1      GLY   8  -3.993  -6.317  -7.316
   65    H    LEU   9           HN       LEU   9  -4.411  -4.597  -8.570
   66    HA   LEU   9           HA       LEU   9  -2.409  -2.799  -9.203
   67    HB2  LEU   9           HB2      LEU   9  -5.378  -2.524  -9.662
   68    HB3  LEU   9           HB1      LEU   9  -4.145  -1.570 -10.464
   69    HG   LEU   9           HG       LEU   9  -4.419  -4.567 -10.709
   70   HD11  LEU   9          HD11      LEU   9  -6.314  -3.432 -11.725
   71   HD12  LEU   9          HD12      LEU   9  -5.253  -4.105 -12.962
   72   HD13  LEU   9          HD13      LEU   9  -5.220  -2.376 -12.618
   73   HD21  LEU   9          HD21      LEU   9  -2.672  -2.571 -12.143
   74   HD22  LEU   9          HD22      LEU   9  -2.858  -4.263 -12.602
   75   HD23  LEU   9          HD23      LEU   9  -2.141  -3.846 -11.046
   76    H    GLU  10           HN       GLU  10  -5.200  -2.356  -7.082
   77    HA   GLU  10           HA       GLU  10  -4.837   0.387  -6.593
   78    HB2  GLU  10           HB2      GLU  10  -5.977  -1.597  -4.623
   79    HB3  GLU  10           HB1      GLU  10  -6.341   0.118  -4.752
   80    HG2  GLU  10           HG2      GLU  10  -7.200  -2.118  -6.551
   81    HG3  GLU  10           HG1      GLU  10  -8.197  -0.965  -5.665
   82    H    TYR  11           HN       TYR  11  -3.534  -2.482  -5.026
   83    HA   TYR  11           HA       TYR  11  -2.241  -1.123  -2.891
   84    HB2  TYR  11           HB2      TYR  11  -2.663  -3.460  -2.613
   85    HB3  TYR  11           HB1      TYR  11  -1.854  -3.855  -4.125
   86    HD1  TYR  11           HD1      TYR  11  -1.297  -2.696  -0.656
   87    HD2  TYR  11           HD2      TYR  11   0.486  -4.249  -4.191
   88    HE1  TYR  11           HE1      TYR  11   0.791  -3.094   0.578
   89    HE2  TYR  11           HE2      TYR  11   2.579  -4.650  -2.966
   90    HH   TYR  11           HH       TYR  11   2.777  -4.525   0.418
   91    H    ILE  12           HN       ILE  12  -1.009  -2.591  -5.870
   92    HA   ILE  12           HA       ILE  12   1.627  -1.795  -5.755
   93    HB   ILE  12           HB       ILE  12  -0.123  -2.026  -8.209
   94   HG12  ILE  12          HG12      ILE  12   1.775  -4.085  -7.090
   95   HG13  ILE  12          HG11      ILE  12   0.073  -4.028  -6.641
   96   HG21  ILE  12          HG21      ILE  12   2.882  -2.091  -7.967
   97   HG22  ILE  12          HG22      ILE  12   1.923  -0.814  -8.715
   98   HG23  ILE  12          HG23      ILE  12   1.963  -2.423  -9.435
   99   HD11  ILE  12          HD11      ILE  12   1.171  -4.421  -9.414
  100   HD12  ILE  12          HD12      ILE  12  -0.539  -4.313  -8.998
  101   HD13  ILE  12          HD13      ILE  12   0.434  -5.653  -8.389
  102    H    ARG  13           HN       ARG  13  -1.131  -0.015  -7.107
  103    HA   ARG  13           HA       ARG  13   0.278   2.193  -8.101
  104    HB2  ARG  13           HB2      ARG  13  -2.226   1.449  -8.350
  105    HB3  ARG  13           HB1      ARG  13  -2.470   2.499  -6.962
  106    HG2  ARG  13           HG2      ARG  13  -1.574   4.384  -8.195
  107    HG3  ARG  13           HG1      ARG  13  -1.240   3.340  -9.579
  108    HD2  ARG  13           HD2      ARG  13  -3.927   4.072  -8.432
  109    HD3  ARG  13           HD1      ARG  13  -3.281   4.506 -10.013
  110    HE   ARG  13           HE       ARG  13  -3.434   2.130 -10.599
  111   HH11  ARG  13          HH11      ARG  13  -5.313   3.260  -7.868
  112   HH12  ARG  13          HH12      ARG  13  -6.462   1.953  -7.946
  113   HH21  ARG  13          HH21      ARG  13  -4.965   0.421 -10.712
  114   HH22  ARG  13          HH22      ARG  13  -6.250   0.333  -9.537
  115    H    THR  14           HN       THR  14  -1.107   1.579  -4.907
  116    HA   THR  14           HA       THR  14  -0.552   4.172  -3.885
  117    HB   THR  14           HB       THR  14  -0.920   1.624  -2.297
  118    HG1  THR  14           HG1      THR  14  -2.738   1.823  -3.564
  119   HG21  THR  14          HG21      THR  14  -0.085   3.536  -1.001
  120   HG22  THR  14          HG22      THR  14  -1.742   3.131  -0.550
  121   HG23  THR  14          HG23      THR  14  -1.425   4.520  -1.590
  122    H    VAL  15           HN       VAL  15   1.175   1.086  -3.852
  123    HA   VAL  15           HA       VAL  15   3.239   1.832  -2.091
  124    HB   VAL  15           HB       VAL  15   3.259  -0.202  -4.327
  125   HG11  VAL  15          HG11      VAL  15   5.543   0.464  -3.776
  126   HG12  VAL  15          HG12      VAL  15   5.212  -1.174  -3.212
  127   HG13  VAL  15          HG13      VAL  15   5.226   0.167  -2.066
  128   HG21  VAL  15          HG21      VAL  15   2.870  -0.494  -1.352
  129   HG22  VAL  15          HG22      VAL  15   2.938  -1.816  -2.517
  130   HG23  VAL  15          HG23      VAL  15   1.618  -0.647  -2.585
  131    H    ILE  16           HN       ILE  16   3.199   1.792  -5.672
  132    HA   ILE  16           HA       ILE  16   5.769   2.887  -5.971
  133    HB   ILE  16           HB       ILE  16   5.105   3.488  -8.273
  134   HG12  ILE  16          HG12      ILE  16   2.376   2.499  -7.412
  135   HG13  ILE  16          HG11      ILE  16   2.784   4.152  -7.857
  136   HG21  ILE  16          HG21      ILE  16   4.266   0.736  -7.372
  137   HG22  ILE  16          HG22      ILE  16   5.902   1.253  -7.782
  138   HG23  ILE  16          HG23      ILE  16   4.657   1.195  -9.029
  139   HD11  ILE  16          HD11      ILE  16   1.649   3.112  -9.683
  140   HD12  ILE  16          HD12      ILE  16   2.759   1.741  -9.655
  141   HD13  ILE  16          HD13      ILE  16   3.340   3.337 -10.134
  142    H    TYR  17           HN       TYR  17   2.665   4.384  -5.405
  143    HA   TYR  17           HA       TYR  17   3.418   7.035  -6.055
  144    HB2  TYR  17           HB2      TYR  17   1.061   6.301  -5.842
  145    HB3  TYR  17           HB1      TYR  17   1.298   6.088  -4.111
  146    HD1  TYR  17           HD1      TYR  17   1.424   8.659  -6.799
  147    HD2  TYR  17           HD2      TYR  17   0.924   7.872  -2.648
  148    HE1  TYR  17           HE1      TYR  17   0.797  11.008  -6.435
  149    HE2  TYR  17           HE2      TYR  17   0.294  10.220  -2.273
  150    HH   TYR  17           HH       TYR  17   0.667  12.426  -3.393
  151    H    ILE  18           HN       ILE  18   3.233   5.292  -2.955
  152    HA   ILE  18           HA       ILE  18   4.241   7.406  -1.372
  153    HB   ILE  18           HB       ILE  18   4.341   4.429  -0.843
  154   HG12  ILE  18          HG12      ILE  18   2.370   6.481   0.184
  155   HG13  ILE  18          HG11      ILE  18   2.062   5.439  -1.202
  156   HG21  ILE  18          HG21      ILE  18   5.931   5.555   0.565
  157   HG22  ILE  18          HG22      ILE  18   4.529   5.110   1.538
  158   HG23  ILE  18          HG23      ILE  18   4.739   6.778   1.006
  159   HD11  ILE  18          HD11      ILE  18   1.023   4.599   0.844
  160   HD12  ILE  18          HD12      ILE  18   2.612   4.489   1.600
  161   HD13  ILE  18          HD13      ILE  18   2.226   3.476   0.209
  162    H    CYS  19           HN       CYS  19   5.790   4.626  -2.916
  163    HA   CYS  19           HA       CYS  19   8.385   5.037  -1.932
  164    HB2  CYS  19           HB2      CYS  19   7.198   3.544  -4.220
  165    HB3  CYS  19           HB1      CYS  19   8.938   3.805  -4.225
  166    H    ALA  20           HN       ALA  20   6.624   6.693  -4.404
  167    HA   ALA  20           HA       ALA  20   9.050   7.873  -5.509
  168    HB1  ALA  20           HB1      ALA  20   7.310   7.253  -7.087
  169    HB2  ALA  20           HB2      ALA  20   7.550   9.002  -7.088
  170    HB3  ALA  20           HB3      ALA  20   6.160   8.302  -6.257
  171    H    SER  21           HN       SER  21   6.104   8.876  -3.807
  172    HA   SER  21           HA       SER  21   6.547  11.602  -3.672
  173    HB2  SER  21           HB2      SER  21   5.257   9.863  -1.560
  174    HB3  SER  21           HB1      SER  21   5.034  11.602  -1.750
  175    HG   SER  21           HG       SER  21   4.229   9.529  -3.512
  176    H    SER  22           HN       SER  22   8.065   9.064  -1.817
  177    HA   SER  22           HA       SER  22   9.045  10.659   0.302
  178    HB2  SER  22           HB2      SER  22  10.834   8.610   0.144
  179    HB3  SER  22           HB1      SER  22   9.255   8.489   0.924
  180    HG   SER  22           HG       SER  22   8.520   7.318  -0.695
  181    H    ARG  23           HN       ARG  23   9.983  10.431  -2.982
  182    HA   ARG  23           HA       ARG  23  12.593  11.648  -2.364
  183    HB2  ARG  23           HB2      ARG  23  13.476  10.745  -4.331
  184    HB3  ARG  23           HB1      ARG  23  12.454   9.460  -3.710
  185    HG2  ARG  23           HG2      ARG  23  10.656  10.421  -5.278
  186    HG3  ARG  23           HG1      ARG  23  12.003  11.251  -6.059
  187    HD2  ARG  23           HD2      ARG  23  11.486   9.113  -7.147
  188    HD3  ARG  23           HD1      ARG  23  13.111   9.132  -6.462
  189    HE   ARG  23           HE       ARG  23  10.955   7.959  -4.867
  190   HH11  ARG  23          HH11      ARG  23  13.803   7.492  -6.848
  191   HH12  ARG  23          HH12      ARG  23  14.066   5.866  -6.317
  192   HH21  ARG  23          HH21      ARG  23  11.284   5.826  -4.159
  193   HH22  ARG  23          HH22      ARG  23  12.626   4.910  -4.776
  194    H    TRP  24           HN       TRP  24   9.567  12.511  -3.147
  195    HA   TRP  24           HA       TRP  24  10.416  14.677  -4.943
  196    HB2  TRP  24           HB2      TRP  24   7.638  13.597  -4.421
  197    HB3  TRP  24           HB1      TRP  24   8.010  14.948  -5.483
  198    HD1  TRP  24           HD1      TRP  24   6.941  11.672  -5.931
  199    HE1  TRP  24           HE1      TRP  24   7.872  10.540  -8.043
  200    HE3  TRP  24           HE3      TRP  24  10.876  14.790  -6.861
  201    HZ2  TRP  24           HZ2      TRP  24   9.997  10.910  -9.856
  202    HZ3  TRP  24           HZ3      TRP  24  12.314  14.330  -8.800
  203    HH2  TRP  24           HH2      TRP  24  11.882  12.428 -10.268
  204    HN1  NH2  25           H1       NH2  25   8.574  13.963  -2.028
  205    HN2  NH2  25           H2       NH2  25   8.604  15.570  -1.395
  206    H1   PCA   1           HN       PCA   1  -3.073 -12.366   4.931
  207    HA   PCA   1           HA       PCA   1  -1.587 -14.344   5.396
  208    HB2  PCA   1           HB2      PCA   1  -1.211 -15.006   2.615
  209    HB3  PCA   1           HB1      PCA   1  -1.933 -16.006   3.892
  210    HG2  PCA   1           HG2      PCA   1  -3.275 -14.668   1.755
  211    HG3  PCA   1           HG1      PCA   1  -3.989 -15.635   3.067
  212    H    ASP   2           HN       ASP   2  -1.052 -13.122   2.132
  213    HA   ASP   2           HA       ASP   2   1.574 -12.163   2.850
  214    HB2  ASP   2           HB2      ASP   2   1.770 -13.042   0.748
  215    HB3  ASP   2           HB1      ASP   2   0.100 -12.681   0.333
  216    H    LEU   3           HN       LEU   3   2.239  -9.895   2.334
  217    HA   LEU   3           HA       LEU   3   0.557  -8.062   3.620
  218    HB2  LEU   3           HB2      LEU   3   3.003  -7.794   3.429
  219    HB3  LEU   3           HB1      LEU   3   2.821  -7.458   1.718
  220    HG   LEU   3           HG       LEU   3   1.576  -5.415   2.224
  221   HD11  LEU   3          HD11      LEU   3   2.011  -6.204   5.099
  222   HD12  LEU   3          HD12      LEU   3   0.469  -6.028   4.261
  223   HD13  LEU   3          HD13      LEU   3   1.472  -4.610   4.569
  224   HD21  LEU   3          HD21      LEU   3   3.411  -4.151   3.338
  225   HD22  LEU   3          HD22      LEU   3   3.943  -5.167   1.997
  226   HD23  LEU   3          HD23      LEU   3   4.209  -5.691   3.660
  227    H    GLN   4           HN       GLN   4   1.302  -8.348   0.143
  228    HA   GLN   4           HA       GLN   4  -0.476  -6.299  -0.679
  229    HB2  GLN   4           HB2      GLN   4   0.107  -8.603  -2.491
  230    HB3  GLN   4           HB1      GLN   4   0.056  -6.883  -2.855
  231    HG2  GLN   4           HG2      GLN   4   2.218  -6.538  -2.200
  232    HG3  GLN   4           HG1      GLN   4   2.219  -7.896  -1.080
  233   HE21  GLN   4          HE21      GLN   4   2.529  -9.985  -1.868
  234   HE22  GLN   4          HE22      GLN   4   3.237 -10.263  -3.424
  235    H    THR   5           HN       THR   5  -0.766  -9.756  -0.287
  236    HA   THR   5           HA       THR   5  -3.327 -10.110  -1.370
  237    HB   THR   5           HB       THR   5  -1.927 -11.711   0.794
  238    HG1  THR   5           HG1      THR   5  -0.764 -11.519  -1.214
  239   HG21  THR   5          HG21      THR   5  -4.238 -12.404  -1.036
  240   HG22  THR   5          HG22      THR   5  -4.283 -12.278   0.723
  241   HG23  THR   5          HG23      THR   5  -3.361 -13.570  -0.046
  242    H    LEU   6           HN       LEU   6  -2.346  -9.781   2.063
  243    HA   LEU   6           HA       LEU   6  -4.958  -9.822   3.102
  244    HB2  LEU   6           HB2      LEU   6  -2.890 -10.174   4.431
  245    HB3  LEU   6           HB1      LEU   6  -2.559  -8.460   4.313
  246    HG   LEU   6           HG       LEU   6  -4.890  -8.175   5.415
  247   HD11  LEU   6          HD11      LEU   6  -5.555 -10.001   6.861
  248   HD12  LEU   6          HD12      LEU   6  -4.233 -10.995   6.252
  249   HD13  LEU   6          HD13      LEU   6  -5.551 -10.528   5.179
  250   HD21  LEU   6          HD21      LEU   6  -3.875  -8.339   7.639
  251   HD22  LEU   6          HD22      LEU   6  -2.792  -7.567   6.481
  252   HD23  LEU   6          HD23      LEU   6  -2.527  -9.246   6.952
  253    H    CYS   7           HN       CYS   7  -3.141  -7.287   1.587
  254    HA   CYS   7           HA       CYS   7  -4.452  -5.050   2.620
  255    HB2  CYS   7           HB2      CYS   7  -3.194  -5.592  -0.060
  256    HB3  CYS   7           HB1      CYS   7  -3.955  -4.047   0.297
  257    H    CYS   8           HN       CYS   8  -5.503  -7.487   0.413
  258    HA   CYS   8           HA       CYS   8  -7.917  -5.971  -0.262
  259    HB2  CYS   8           HB2      CYS   8  -6.564  -7.180  -2.043
  260    HB3  CYS   8           HB1      CYS   8  -7.092  -8.687  -1.304
  261    H    THR   9           HN       THR   9  -6.801  -8.950   1.281
  262    HA   THR   9           HA       THR   9  -9.299 -10.071   1.870
  263    HB   THR   9           HB       THR   9  -7.003 -10.414   3.756
  264    HG1  THR   9           HG1      THR   9  -6.102 -11.905   2.199
  265   HG21  THR   9          HG21      THR   9  -9.073 -11.673   4.118
  266   HG22  THR   9          HG22      THR   9  -7.738 -12.748   3.702
  267   HG23  THR   9          HG23      THR   9  -8.954 -12.342   2.491
  268    H    ASP  10           HN       ASP  10  -7.211  -7.938   3.837
  269    HA   ASP  10           HA       ASP  10  -9.597  -7.298   5.437
  270    HB2  ASP  10           HB2      ASP  10  -7.681  -8.826   6.488
  271    HB3  ASP  10           HB1      ASP  10  -6.968  -7.248   6.815
  272    H    GLY  11           HN       GLY  11  -6.334  -6.225   4.509
  273    HA2  GLY  11           HA2      GLY  11  -6.496  -3.920   3.443
  274    HA3  GLY  11           HA1      GLY  11  -7.254  -3.459   4.958
  275    H    CYS  12           HN       CYS  12  -4.977  -2.252   3.868
  276    HA   CYS  12           HA       CYS  12  -3.048  -2.781   6.017
  277    HB2  CYS  12           HB2      CYS  12  -2.160  -2.118   3.209
  278    HB3  CYS  12           HB1      CYS  12  -1.169  -2.653   4.560
  279    H    SER  13           HN       SER  13  -1.816  -0.883   6.608
  280    HA   SER  13           HA       SER  13  -3.330   1.542   6.034
  281    HB2  SER  13           HB2      SER  13  -1.041   1.607   7.913
  282    HB3  SER  13           HB1      SER  13  -2.650   2.312   8.065
  283    HG   SER  13           HG       SER  13  -1.877  -0.400   8.453
  284    H    MET  14           HN       MET  14  -2.141   3.589   5.751
  285    HA   MET  14           HA       MET  14  -0.443   3.448   3.496
  286    HB2  MET  14           HB2      MET  14  -2.021   5.337   4.155
  287    HB3  MET  14           HB1      MET  14  -0.780   5.843   5.289
  288    HG2  MET  14           HG2      MET  14   0.782   6.201   3.487
  289    HG3  MET  14           HG1      MET  14  -0.383   5.584   2.317
  290    HE1  MET  14           HE1      MET  14  -3.139   6.887   3.191
  291    HE2  MET  14           HE2      MET  14  -2.511   6.803   1.546
  292    HE3  MET  14           HE3      MET  14  -3.093   8.338   2.191
  293    H    THR  15           HN       THR  15   0.093   4.140   6.878
  294    HA   THR  15           HA       THR  15   2.819   4.773   6.769
  295    HB   THR  15           HB       THR  15   2.778   3.787   9.198
  296    HG1  THR  15           HG1      THR  15  -0.024   4.087   8.732
  297   HG21  THR  15          HG21      THR  15   1.069   6.142   8.387
  298   HG22  THR  15          HG22      THR  15   2.807   6.172   8.685
  299   HG23  THR  15          HG23      THR  15   1.691   5.839  10.009
  300    H    ASP  16           HN       ASP  16   1.201   1.650   7.169
  301    HA   ASP  16           HA       ASP  16   3.420   0.025   7.580
  302    HB2  ASP  16           HB2      ASP  16   1.067  -0.843   5.900
  303    HB3  ASP  16           HB1      ASP  16   2.057  -1.826   6.970
  304    H    LEU  17           HN       LEU  17   1.866   1.037   4.572
  305    HA   LEU  17           HA       LEU  17   3.615  -0.353   2.833
  306    HB2  LEU  17           HB2      LEU  17   1.548   1.755   2.576
  307    HB3  LEU  17           HB1      LEU  17   2.739   1.684   1.292
  308    HG   LEU  17           HG       LEU  17   2.136  -0.645   0.839
  309   HD11  LEU  17          HD11      LEU  17   1.468  -1.383   3.031
  310   HD12  LEU  17          HD12      LEU  17   0.122  -1.603   1.913
  311   HD13  LEU  17          HD13      LEU  17   0.118  -0.248   3.041
  312   HD21  LEU  17          HD21      LEU  17   0.983   1.127  -0.360
  313   HD22  LEU  17          HD22      LEU  17  -0.229   1.221   0.918
  314   HD23  LEU  17          HD23      LEU  17  -0.098  -0.236  -0.068
  315    H    SER  18           HN       SER  18   3.681   2.842   4.292
  316    HA   SER  18           HA       SER  18   5.797   3.916   2.755
  317    HB2  SER  18           HB2      SER  18   5.052   4.594   5.615
  318    HB3  SER  18           HB1      SER  18   5.970   5.606   4.499
  319    HG   SER  18           HG       SER  18   3.289   4.752   4.080
  320    H    ALA  19           HN       ALA  19   5.692   1.941   5.666
  321    HA   ALA  19           HA       ALA  19   8.445   2.132   6.313
  322    HB1  ALA  19           HB1      ALA  19   8.050   0.177   7.727
  323    HB2  ALA  19           HB2      ALA  19   6.484  -0.073   6.955
  324    HB3  ALA  19           HB3      ALA  19   6.768   1.372   7.926
  325    H    LEU  20           HN       LEU  20   6.634   0.296   4.023
  326    HA   LEU  20           HA       LEU  20   8.724  -1.622   3.480
  327    HB2  LEU  20           HB2      LEU  20   6.202  -1.987   3.218
  328    HB3  LEU  20           HB1      LEU  20   6.318  -1.008   1.769
  329    HG   LEU  20           HG       LEU  20   8.180  -2.762   1.121
  330   HD11  LEU  20          HD11      LEU  20   7.599  -5.006   1.930
  331   HD12  LEU  20          HD12      LEU  20   6.437  -4.289   3.048
  332   HD13  LEU  20          HD13      LEU  20   8.159  -3.954   3.230
  333   HD21  LEU  20          HD21      LEU  20   5.219  -3.320   0.985
  334   HD22  LEU  20          HD22      LEU  20   6.452  -4.078  -0.022
  335   HD23  LEU  20          HD23      LEU  20   6.152  -2.345  -0.150
  336    H    CYS  21           HN       CYS  21   7.728   1.491   2.441
  337    HA   CYS  21           HA       CYS  21   9.274   1.441  -0.015
  338    HB2  CYS  21           HB2      CYS  21   7.308   3.277   1.255
  339    HB3  CYS  21           HB1      CYS  21   8.482   3.995   0.162
  340    HN1  NH2  22           H1       NH2  22  11.075   0.932   1.746
  341    HN2  NH2  22           H2       NH2  22  12.026   2.306   2.189
  Start of MODEL    4
    1    H1   LYS   1           HN       LYS   1  -6.961   1.491  12.779
    2    HA   LYS   1           HA       LYS   1  -4.450   2.715  12.408
    3    HB2  LYS   1           HB2      LYS   1  -4.710  -0.153  11.502
    4    HB3  LYS   1           HB1      LYS   1  -3.545   0.960  10.802
    5    HG2  LYS   1           HG2      LYS   1  -3.641   0.425  13.751
    6    HG3  LYS   1           HG1      LYS   1  -2.737  -0.606  12.642
    7    HD2  LYS   1           HD2      LYS   1  -2.281   2.314  12.430
    8    HD3  LYS   1           HD1      LYS   1  -1.657   1.514  13.872
    9    HE2  LYS   1           HE2      LYS   1   0.103   1.457  12.307
   10    HE3  LYS   1           HE1      LYS   1  -0.583  -0.166  12.303
   11    HZ1  LYS   1           HZ1      LYS   1  -1.807   0.400  10.297
   12    HZ2  LYS   1           HZ2      LYS   1  -0.144   0.612  10.060
   13    HZ3  LYS   1           HZ3      LYS   1  -1.150   1.962  10.304
   14    H    GLU   2           HN       GLU   2  -4.028   3.129  10.066
   15    HA   GLU   2           HA       GLU   2  -6.548   3.752   8.750
   16    HB2  GLU   2           HB2      GLU   2  -4.376   4.554   7.130
   17    HB3  GLU   2           HB1      GLU   2  -5.429   5.561   8.106
   18    HG2  GLU   2           HG2      GLU   2  -3.172   6.072   8.673
   19    HG3  GLU   2           HG1      GLU   2  -3.894   5.210  10.029
   20    H    SER   3           HN       SER   3  -6.582   1.247   8.669
   21    HA   SER   3           HA       SER   3  -5.090   0.079   6.498
   22    HB2  SER   3           HB2      SER   3  -7.337  -1.166   8.082
   23    HB3  SER   3           HB1      SER   3  -6.084  -1.995   7.157
   24    HG   SER   3           HG       SER   3  -4.587  -0.834   8.672
   25    H    VAL   4           HN       VAL   4  -5.645   0.221   4.477
   26    HA   VAL   4           HA       VAL   4  -8.488   0.551   3.752
   27    HB   VAL   4           HB       VAL   4  -6.211   1.194   1.895
   28   HG11  VAL   4          HG11      VAL   4  -8.442   1.108   0.946
   29   HG12  VAL   4          HG12      VAL   4  -7.842   2.767   0.943
   30   HG13  VAL   4          HG13      VAL   4  -9.021   2.258   2.152
   31   HG21  VAL   4          HG21      VAL   4  -5.729   2.438   3.940
   32   HG22  VAL   4          HG22      VAL   4  -7.365   3.098   3.931
   33   HG23  VAL   4          HG23      VAL   4  -6.237   3.521   2.644
   34    H    ARG   5           HN       ARG   5  -9.070  -0.546   1.657
   35    HA   ARG   5           HA       ARG   5  -7.631  -3.096   1.512
   36    HB2  ARG   5           HB2      ARG   5 -10.500  -2.376   1.167
   37    HB3  ARG   5           HB1      ARG   5  -9.870  -3.754   0.271
   38    HG2  ARG   5           HG2      ARG   5  -9.142  -4.803   2.319
   39    HG3  ARG   5           HG1      ARG   5  -9.652  -3.397   3.250
   40    HD2  ARG   5           HD2      ARG   5 -11.980  -3.808   2.509
   41    HD3  ARG   5           HD1      ARG   5 -11.427  -5.272   1.694
   42    HE   ARG   5           HE       ARG   5 -11.121  -4.874   4.603
   43   HH11  ARG   5          HH11      ARG   5 -12.068  -6.860   1.878
   44   HH12  ARG   5          HH12      ARG   5 -12.338  -8.269   2.844
   45   HH21  ARG   5          HH21      ARG   5 -11.470  -6.731   5.879
   46   HH22  ARG   5          HH22      ARG   5 -11.999  -8.197   5.122
   47    H    LEU   6           HN       LEU   6  -6.082  -2.749   0.060
   48    HA   LEU   6           HA       LEU   6  -6.876  -1.872  -2.638
   49    HB2  LEU   6           HB2      LEU   6  -4.156  -1.916  -1.315
   50    HB3  LEU   6           HB1      LEU   6  -4.429  -1.501  -2.993
   51    HG   LEU   6           HG       LEU   6  -4.238   0.581  -2.063
   52   HD11  LEU   6          HD11      LEU   6  -6.421   1.614  -1.864
   53   HD12  LEU   6          HD12      LEU   6  -7.172   0.032  -1.662
   54   HD13  LEU   6          HD13      LEU   6  -6.402   0.454  -3.191
   55   HD21  LEU   6          HD21      LEU   6  -5.701  -0.388   0.385
   56   HD22  LEU   6          HD22      LEU   6  -5.026   1.224   0.149
   57   HD23  LEU   6          HD23      LEU   6  -3.957  -0.176   0.231
   58    H    CYS   7           HN       CYS   7  -6.945  -3.419  -4.168
   59    HA   CYS   7           HA       CYS   7  -5.721  -6.006  -3.519
   60    HB2  CYS   7           HB2      CYS   7  -7.827  -5.473  -5.610
   61    HB3  CYS   7           HB1      CYS   7  -7.345  -7.029  -4.941
   62    H    GLY   8           HN       GLY   8  -3.891  -6.482  -4.451
   63    HA2  GLY   8           HA2      GLY   8  -2.150  -6.591  -5.936
   64    HA3  GLY   8           HA1      GLY   8  -3.409  -6.759  -7.143
   65    H    LEU   9           HN       LEU   9  -3.794  -5.142  -8.528
   66    HA   LEU   9           HA       LEU   9  -1.838  -3.322  -9.173
   67    HB2  LEU   9           HB2      LEU   9  -3.641  -4.035 -10.680
   68    HB3  LEU   9           HB1      LEU   9  -4.796  -3.116  -9.735
   69    HG   LEU   9           HG       LEU   9  -3.544  -1.037 -10.340
   70   HD11  LEU   9          HD11      LEU   9  -2.013  -1.154 -12.265
   71   HD12  LEU   9          HD12      LEU   9  -2.077  -2.915 -12.186
   72   HD13  LEU   9          HD13      LEU   9  -1.384  -1.996 -10.849
   73   HD21  LEU   9          HD21      LEU   9  -4.413  -0.929 -12.626
   74   HD22  LEU   9          HD22      LEU   9  -5.568  -1.680 -11.524
   75   HD23  LEU   9          HD23      LEU   9  -4.622  -2.681 -12.625
   76    H    GLU  10           HN       GLU  10  -4.703  -2.824  -7.163
   77    HA   GLU  10           HA       GLU  10  -4.306  -0.040  -6.820
   78    HB2  GLU  10           HB2      GLU  10  -5.834  -1.989  -5.088
   79    HB3  GLU  10           HB1      GLU  10  -5.955  -0.236  -5.009
   80    HG2  GLU  10           HG2      GLU  10  -6.836  -2.060  -7.221
   81    HG3  GLU  10           HG1      GLU  10  -7.814  -0.957  -6.253
   82    H    TYR  11           HN       TYR  11  -3.270  -2.874  -4.999
   83    HA   TYR  11           HA       TYR  11  -2.205  -1.472  -2.779
   84    HB2  TYR  11           HB2      TYR  11  -2.619  -3.860  -2.614
   85    HB3  TYR  11           HB1      TYR  11  -1.511  -4.184  -3.942
   86    HD1  TYR  11           HD1      TYR  11  -1.778  -3.319  -0.390
   87    HD2  TYR  11           HD2      TYR  11   0.895  -4.155  -3.592
   88    HE1  TYR  11           HE1      TYR  11   0.055  -3.609   1.221
   89    HE2  TYR  11           HE2      TYR  11   2.736  -4.445  -1.988
   90    HH   TYR  11           HH       TYR  11   3.311  -3.729   0.304
   91    H    ILE  12           HN       ILE  12  -0.766  -2.799  -5.715
   92    HA   ILE  12           HA       ILE  12   1.855  -1.915  -5.356
   93    HB   ILE  12           HB       ILE  12   0.308  -2.314  -7.925
   94   HG12  ILE  12          HG12      ILE  12   2.277  -4.216  -6.671
   95   HG13  ILE  12          HG11      ILE  12   0.566  -4.249  -6.253
   96   HG21  ILE  12          HG21      ILE  12   3.287  -2.169  -7.482
   97   HG22  ILE  12          HG22      ILE  12   2.299  -0.971  -8.319
   98   HG23  ILE  12          HG23      ILE  12   2.491  -2.587  -8.999
   99   HD11  ILE  12          HD11      ILE  12   1.742  -4.660  -8.991
  100   HD12  ILE  12          HD12      ILE  12   0.019  -4.636  -8.613
  101   HD13  ILE  12          HD13      ILE  12   1.053  -5.899  -7.942
  102    H    ARG  13           HN       ARG  13  -0.919  -0.357  -6.908
  103    HA   ARG  13           HA       ARG  13   0.359   1.948  -7.845
  104    HB2  ARG  13           HB2      ARG  13  -2.306   0.964  -7.647
  105    HB3  ARG  13           HB1      ARG  13  -2.294   2.605  -7.017
  106    HG2  ARG  13           HG2      ARG  13  -2.132   3.471  -9.052
  107    HG3  ARG  13           HG1      ARG  13  -0.786   2.411  -9.473
  108    HD2  ARG  13           HD2      ARG  13  -2.631   2.025 -10.984
  109    HD3  ARG  13           HD1      ARG  13  -2.389   0.609  -9.965
  110    HE   ARG  13           HE       ARG  13  -4.475   0.924  -9.057
  111   HH11  ARG  13          HH11      ARG  13  -3.550   3.805 -10.835
  112   HH12  ARG  13          HH12      ARG  13  -5.106   4.547 -10.693
  113   HH21  ARG  13          HH21      ARG  13  -6.523   1.895  -8.855
  114   HH22  ARG  13          HH22      ARG  13  -6.802   3.459  -9.567
  115    H    THR  14           HN       THR  14  -1.092   1.222  -4.712
  116    HA   THR  14           HA       THR  14  -0.798   3.843  -3.662
  117    HB   THR  14           HB       THR  14  -0.995   1.253  -2.110
  118    HG1  THR  14           HG1      THR  14  -2.767   1.411  -3.507
  119   HG21  THR  14          HG21      THR  14  -1.973   2.663  -0.361
  120   HG22  THR  14          HG22      THR  14  -1.729   4.090  -1.368
  121   HG23  THR  14          HG23      THR  14  -0.339   3.193  -0.759
  122    H    VAL  15           HN       VAL  15   1.188   0.905  -3.497
  123    HA   VAL  15           HA       VAL  15   3.115   1.866  -1.693
  124    HB   VAL  15           HB       VAL  15   3.475  -0.167  -3.904
  125   HG11  VAL  15          HG11      VAL  15   5.162   0.317  -1.447
  126   HG12  VAL  15          HG12      VAL  15   5.617   0.734  -3.099
  127   HG13  VAL  15          HG13      VAL  15   5.402  -0.956  -2.644
  128   HG21  VAL  15          HG21      VAL  15   1.720  -0.779  -2.329
  129   HG22  VAL  15          HG22      VAL  15   2.826  -0.520  -0.981
  130   HG23  VAL  15          HG23      VAL  15   3.130  -1.820  -2.132
  131    H    ILE  16           HN       ILE  16   3.209   1.787  -5.273
  132    HA   ILE  16           HA       ILE  16   5.686   3.099  -5.491
  133    HB   ILE  16           HB       ILE  16   5.070   3.602  -7.825
  134   HG12  ILE  16          HG12      ILE  16   2.396   2.404  -7.063
  135   HG13  ILE  16          HG11      ILE  16   2.687   4.080  -7.512
  136   HG21  ILE  16          HG21      ILE  16   6.022   1.446  -7.261
  137   HG22  ILE  16          HG22      ILE  16   4.840   1.269  -8.558
  138   HG23  ILE  16          HG23      ILE  16   4.417   0.805  -6.910
  139   HD11  ILE  16          HD11      ILE  16   3.402   3.298  -9.752
  140   HD12  ILE  16          HD12      ILE  16   1.720   2.930  -9.369
  141   HD13  ILE  16          HD13      ILE  16   2.942   1.661  -9.280
  142    H    TYR  17           HN       TYR  17   2.442   4.331  -5.067
  143    HA   TYR  17           HA       TYR  17   3.001   7.030  -5.737
  144    HB2  TYR  17           HB2      TYR  17   0.705   5.966  -5.548
  145    HB3  TYR  17           HB1      TYR  17   0.888   6.071  -3.800
  146    HD1  TYR  17           HD1      TYR  17   0.765   8.111  -6.897
  147    HD2  TYR  17           HD2      TYR  17   0.387   8.069  -2.659
  148    HE1  TYR  17           HE1      TYR  17  -0.107  10.409  -6.958
  149    HE2  TYR  17           HE2      TYR  17  -0.487  10.368  -2.709
  150    HH   TYR  17           HH       TYR  17  -0.407  12.337  -4.189
  151    H    ILE  18           HN       ILE  18   2.899   5.265  -2.655
  152    HA   ILE  18           HA       ILE  18   3.594   7.465  -1.021
  153    HB   ILE  18           HB       ILE  18   4.040   4.514  -0.517
  154   HG12  ILE  18          HG12      ILE  18   1.817   6.308   0.476
  155   HG13  ILE  18          HG11      ILE  18   1.666   5.249  -0.922
  156   HG21  ILE  18          HG21      ILE  18   5.451   5.853   0.928
  157   HG22  ILE  18          HG22      ILE  18   4.129   5.152   1.862
  158   HG23  ILE  18          HG23      ILE  18   4.072   6.850   1.391
  159   HD11  ILE  18          HD11      ILE  18   2.251   4.353   1.891
  160   HD12  ILE  18          HD12      ILE  18   2.036   3.308   0.486
  161   HD13  ILE  18          HD13      ILE  18   0.685   4.270   1.085
  162    H    CYS  19           HN       CYS  19   5.526   4.897  -2.524
  163    HA   CYS  19           HA       CYS  19   8.015   5.624  -1.483
  164    HB2  CYS  19           HB2      CYS  19   7.113   4.106  -3.891
  165    HB3  CYS  19           HB1      CYS  19   8.807   4.567  -3.776
  166    H    ALA  20           HN       ALA  20   6.270   6.817  -4.313
  167    HA   ALA  20           HA       ALA  20   8.412   8.434  -5.271
  168    HB1  ALA  20           HB1      ALA  20   6.606   7.739  -6.753
  169    HB2  ALA  20           HB2      ALA  20   6.719   9.499  -6.688
  170    HB3  ALA  20           HB3      ALA  20   5.448   8.662  -5.794
  171    H    SER  21           HN       SER  21   5.768   8.899  -3.022
  172    HA   SER  21           HA       SER  21   5.851  11.691  -2.806
  173    HB2  SER  21           HB2      SER  21   5.120   9.661  -0.683
  174    HB3  SER  21           HB1      SER  21   4.710  11.376  -0.653
  175    HG   SER  21           HG       SER  21   3.875   9.496  -2.623
  176    H    SER  22           HN       SER  22   7.711   9.167  -1.165
  177    HA   SER  22           HA       SER  22   9.042  10.891   0.647
  178    HB2  SER  22           HB2      SER  22  10.251   8.339  -0.388
  179    HB3  SER  22           HB1      SER  22  10.317   9.016   1.240
  180    HG   SER  22           HG       SER  22   8.873   7.275   1.176
  181    H    ARG  23           HN       ARG  23   9.379  10.328  -2.691
  182    HA   ARG  23           HA       ARG  23  12.134  11.255  -2.822
  183    HB2  ARG  23           HB2      ARG  23  11.936   9.648  -4.434
  184    HB3  ARG  23           HB1      ARG  23  10.221   9.943  -4.669
  185    HG2  ARG  23           HG2      ARG  23  11.239  10.549  -6.688
  186    HG3  ARG  23           HG1      ARG  23  10.898  12.073  -5.870
  187    HD2  ARG  23           HD2      ARG  23  13.230  12.138  -5.071
  188    HD3  ARG  23           HD1      ARG  23  13.559  10.651  -5.958
  189    HE   ARG  23           HE       ARG  23  13.519  11.837  -7.947
  190   HH11  ARG  23          HH11      ARG  23  12.583  13.916  -5.279
  191   HH12  ARG  23          HH12      ARG  23  12.777  15.379  -6.192
  192   HH21  ARG  23          HH21      ARG  23  13.774  13.772  -9.148
  193   HH22  ARG  23          HH22      ARG  23  13.453  15.297  -8.392
  194    H    TRP  24           HN       TRP  24   8.873  12.336  -3.603
  195    HA   TRP  24           HA       TRP  24   9.784  14.764  -4.851
  196    HB2  TRP  24           HB2      TRP  24   7.020  13.900  -3.977
  197    HB3  TRP  24           HB1      TRP  24   7.370  15.360  -4.896
  198    HD1  TRP  24           HD1      TRP  24   6.050  12.119  -5.515
  199    HE1  TRP  24           HE1      TRP  24   6.469  11.309  -7.919
  200    HE3  TRP  24           HE3      TRP  24   9.714  15.416  -6.857
  201    HZ2  TRP  24           HZ2      TRP  24   8.132  11.977 -10.097
  202    HZ3  TRP  24           HZ3      TRP  24  10.668  15.265  -9.119
  203    HH2  TRP  24           HH2      TRP  24   9.892  13.579 -10.705
  204    HN1  NH2  25           H1       NH2  25   8.270  13.922  -1.767
  205    HN2  NH2  25           H2       NH2  25   8.664  15.405  -0.971
  206    H1   PCA   1           HN       PCA   1  -2.986 -12.494   4.602
  207    HA   PCA   1           HA       PCA   1  -1.416 -14.425   4.957
  208    HB2  PCA   1           HB2      PCA   1  -1.079 -14.977   2.149
  209    HB3  PCA   1           HB1      PCA   1  -1.741 -16.045   3.404
  210    HG2  PCA   1           HG2      PCA   1  -3.171 -14.681   1.341
  211    HG3  PCA   1           HG1      PCA   1  -3.824 -15.717   2.632
  212    H    ASP   2           HN       ASP   2  -1.034 -13.030   1.739
  213    HA   ASP   2           HA       ASP   2   1.595 -12.040   2.401
  214    HB2  ASP   2           HB2      ASP   2   1.726 -12.803   0.251
  215    HB3  ASP   2           HB1      ASP   2   0.030 -12.478  -0.075
  216    H    LEU   3           HN       LEU   3   2.196  -9.754   2.037
  217    HA   LEU   3           HA       LEU   3   0.560  -7.997   3.466
  218    HB2  LEU   3           HB2      LEU   3   3.122  -7.938   2.373
  219    HB3  LEU   3           HB1      LEU   3   2.283  -6.618   1.582
  220    HG   LEU   3           HG       LEU   3   2.411  -6.963   4.573
  221   HD11  LEU   3          HD11      LEU   3   4.064  -5.131   4.512
  222   HD12  LEU   3          HD12      LEU   3   4.106  -5.263   2.753
  223   HD13  LEU   3          HD13      LEU   3   4.649  -6.611   3.753
  224   HD21  LEU   3          HD21      LEU   3   1.603  -4.620   2.856
  225   HD22  LEU   3          HD22      LEU   3   1.680  -4.635   4.617
  226   HD23  LEU   3          HD23      LEU   3   0.510  -5.653   3.777
  227    H    GLN   4           HN       GLN   4   1.100  -8.227  -0.030
  228    HA   GLN   4           HA       GLN   4  -0.760  -6.188  -0.715
  229    HB2  GLN   4           HB2      GLN   4   0.838  -6.616  -2.362
  230    HB3  GLN   4           HB1      GLN   4   0.672  -8.358  -2.210
  231    HG2  GLN   4           HG2      GLN   4  -1.781  -7.767  -3.093
  232    HG3  GLN   4           HG1      GLN   4  -0.884  -6.429  -3.810
  233   HE21  GLN   4          HE21      GLN   4   0.411  -9.643  -3.209
  234   HE22  GLN   4          HE22      GLN   4   0.602 -10.066  -4.875
  235    H    THR   5           HN       THR   5  -0.893  -9.699  -0.616
  236    HA   THR   5           HA       THR   5  -3.472 -10.081  -1.593
  237    HB   THR   5           HB       THR   5  -1.956 -11.760   0.425
  238    HG1  THR   5           HG1      THR   5  -0.846 -11.407  -1.583
  239   HG21  THR   5          HG21      THR   5  -4.300 -12.400   0.365
  240   HG22  THR   5          HG22      THR   5  -3.342 -13.615  -0.483
  241   HG23  THR   5          HG23      THR   5  -4.279 -12.434  -1.398
  242    H    LEU   6           HN       LEU   6  -2.436  -9.986   1.842
  243    HA   LEU   6           HA       LEU   6  -5.051 -10.167   2.876
  244    HB2  LEU   6           HB2      LEU   6  -3.016 -10.664   4.178
  245    HB3  LEU   6           HB1      LEU   6  -2.637  -8.956   4.212
  246    HG   LEU   6           HG       LEU   6  -4.985  -8.723   5.320
  247   HD11  LEU   6          HD11      LEU   6  -4.344 -11.601   5.944
  248   HD12  LEU   6          HD12      LEU   6  -5.662 -11.044   4.915
  249   HD13  LEU   6          HD13      LEU   6  -5.657 -10.646   6.633
  250   HD21  LEU   6          HD21      LEU   6  -2.653  -9.928   6.803
  251   HD22  LEU   6          HD22      LEU   6  -3.983  -9.018   7.520
  252   HD23  LEU   6          HD23      LEU   6  -2.862  -8.220   6.417
  253    H    CYS   7           HN       CYS   7  -3.294  -7.474   1.578
  254    HA   CYS   7           HA       CYS   7  -4.692  -5.423   2.919
  255    HB2  CYS   7           HB2      CYS   7  -2.630  -5.032   1.570
  256    HB3  CYS   7           HB1      CYS   7  -3.571  -5.314   0.108
  257    H    CYS   8           HN       CYS   8  -5.560  -7.603   0.416
  258    HA   CYS   8           HA       CYS   8  -7.976  -6.090  -0.241
  259    HB2  CYS   8           HB2      CYS   8  -6.562  -7.134  -2.053
  260    HB3  CYS   8           HB1      CYS   8  -7.015  -8.710  -1.417
  261    H    THR   9           HN       THR   9  -6.876  -9.151   1.148
  262    HA   THR   9           HA       THR   9  -9.395 -10.311   1.595
  263    HB   THR   9           HB       THR   9  -7.158 -10.812   3.510
  264    HG1  THR   9           HG1      THR   9  -6.121 -12.093   1.903
  265   HG21  THR   9          HG21      THR   9  -9.040 -12.624   1.994
  266   HG22  THR   9          HG22      THR   9  -9.228 -12.109   3.671
  267   HG23  THR   9          HG23      THR   9  -7.870 -13.136   3.211
  268    H    ASP  10           HN       ASP  10  -7.324  -8.328   3.714
  269    HA   ASP  10           HA       ASP  10  -9.709  -7.798   5.359
  270    HB2  ASP  10           HB2      ASP  10  -7.763  -9.322   6.321
  271    HB3  ASP  10           HB1      ASP  10  -7.031  -7.755   6.659
  272    H    GLY  11           HN       GLY  11  -6.435  -6.602   4.584
  273    HA2  GLY  11           HA2      GLY  11  -6.831  -4.216   3.565
  274    HA3  GLY  11           HA1      GLY  11  -7.340  -3.889   5.213
  275    H    CYS  12           HN       CYS  12  -5.233  -2.597   3.853
  276    HA   CYS  12           HA       CYS  12  -3.041  -3.252   5.685
  277    HB2  CYS  12           HB2      CYS  12  -1.365  -3.002   3.970
  278    HB3  CYS  12           HB1      CYS  12  -2.524  -4.203   3.421
  279    H    SER  13           HN       SER  13  -1.968  -1.415   6.487
  280    HA   SER  13           HA       SER  13  -3.456   1.047   6.027
  281    HB2  SER  13           HB2      SER  13  -1.250   1.021   7.992
  282    HB3  SER  13           HB1      SER  13  -2.886   1.662   8.133
  283    HG   SER  13           HG       SER  13  -2.006  -1.026   8.398
  284    H    MET  14           HN       MET  14  -2.374   3.091   5.846
  285    HA   MET  14           HA       MET  14  -0.560   3.161   3.699
  286    HB2  MET  14           HB2      MET  14  -2.221   4.947   4.347
  287    HB3  MET  14           HB1      MET  14  -1.124   5.397   5.640
  288    HG2  MET  14           HG2      MET  14   0.613   5.897   3.995
  289    HG3  MET  14           HG1      MET  14  -0.498   5.462   2.697
  290    HE1  MET  14           HE1      MET  14   0.069   7.847   1.597
  291    HE2  MET  14           HE2      MET  14   1.099   8.269   2.964
  292    HE3  MET  14           HE3      MET  14  -0.162   9.382   2.433
  293    H    THR  15           HN       THR  15  -0.181   3.732   7.132
  294    HA   THR  15           HA       THR  15   2.512   4.476   7.164
  295    HB   THR  15           HB       THR  15   2.444   3.390   9.538
  296    HG1  THR  15           HG1      THR  15  -0.354   3.515   8.986
  297   HG21  THR  15          HG21      THR  15   0.596   5.654   8.775
  298   HG22  THR  15          HG22      THR  15   2.319   5.794   9.124
  299   HG23  THR  15          HG23      THR  15   1.196   5.323  10.400
  300    H    ASP  16           HN       ASP  16   1.054   1.252   7.384
  301    HA   ASP  16           HA       ASP  16   3.361  -0.249   7.803
  302    HB2  ASP  16           HB2      ASP  16   1.142  -1.245   6.023
  303    HB3  ASP  16           HB1      ASP  16   2.128  -2.156   7.157
  304    H    LEU  17           HN       LEU  17   1.838   0.824   4.808
  305    HA   LEU  17           HA       LEU  17   3.721  -0.406   3.068
  306    HB2  LEU  17           HB2      LEU  17   1.524   1.576   2.801
  307    HB3  LEU  17           HB1      LEU  17   2.725   1.537   1.526
  308    HG   LEU  17           HG       LEU  17   2.224  -0.807   1.084
  309   HD11  LEU  17          HD11      LEU  17   0.254  -1.851   2.190
  310   HD12  LEU  17          HD12      LEU  17   0.251  -0.515   3.339
  311   HD13  LEU  17          HD13      LEU  17   1.634  -1.606   3.260
  312   HD21  LEU  17          HD21      LEU  17  -0.245   0.916   1.199
  313   HD22  LEU  17          HD22      LEU  17  -0.038  -0.526   0.205
  314   HD23  LEU  17          HD23      LEU  17   0.954   0.901  -0.095
  315    H    SER  18           HN       SER  18   3.513   2.711   4.648
  316    HA   SER  18           HA       SER  18   5.517   4.041   3.165
  317    HB2  SER  18           HB2      SER  18   4.697   4.523   6.042
  318    HB3  SER  18           HB1      SER  18   5.545   5.658   4.992
  319    HG   SER  18           HG       SER  18   2.963   4.599   4.450
  320    H    ALA  19           HN       ALA  19   5.641   1.716   5.742
  321    HA   ALA  19           HA       ALA  19   8.274   2.228   6.642
  322    HB1  ALA  19           HB1      ALA  19   6.724  -0.361   6.688
  323    HB2  ALA  19           HB2      ALA  19   6.681   0.889   7.930
  324    HB3  ALA  19           HB3      ALA  19   8.172  -0.005   7.629
  325    H    LEU  20           HN       LEU  20   6.965   0.555   3.904
  326    HA   LEU  20           HA       LEU  20   9.493  -0.716   3.227
  327    HB2  LEU  20           HB2      LEU  20   7.096  -0.570   1.425
  328    HB3  LEU  20           HB1      LEU  20   8.337  -1.805   1.497
  329    HG   LEU  20           HG       LEU  20   6.280  -1.369   3.660
  330   HD11  LEU  20          HD11      LEU  20   6.296  -3.394   1.428
  331   HD12  LEU  20          HD12      LEU  20   5.196  -2.023   1.574
  332   HD13  LEU  20          HD13      LEU  20   5.144  -3.326   2.761
  333   HD21  LEU  20          HD21      LEU  20   8.194  -3.638   3.117
  334   HD22  LEU  20          HD22      LEU  20   6.978  -3.600   4.394
  335   HD23  LEU  20          HD23      LEU  20   8.322  -2.458   4.422
  336    H    CYS  21           HN       CYS  21   7.825   2.184   2.701
  337    HA   CYS  21           HA       CYS  21   9.420   2.857   0.333
  338    HB2  CYS  21           HB2      CYS  21   6.836   3.896   1.455
  339    HB3  CYS  21           HB1      CYS  21   7.767   4.860   0.319
  340    HN1  NH2  22           H1       NH2  22  10.785   2.794   2.709
  341    HN2  NH2  22           H2       NH2  22  11.194   4.399   3.199
  Start of MODEL    5
    1    H1   LYS   1           HN       LYS   1  -7.715  -4.570  11.121
    2    HA   LYS   1           HA       LYS   1  -6.826  -2.207  12.654
    3    HB2  LYS   1           HB2      LYS   1  -4.979  -3.746  12.259
    4    HB3  LYS   1           HB1      LYS   1  -5.347  -3.787  10.543
    5    HG2  LYS   1           HG2      LYS   1  -4.848  -1.327  10.477
    6    HG3  LYS   1           HG1      LYS   1  -4.254  -1.482  12.133
    7    HD2  LYS   1           HD2      LYS   1  -2.281  -1.873  11.104
    8    HD3  LYS   1           HD1      LYS   1  -2.921  -3.510  10.960
    9    HE2  LYS   1           HE2      LYS   1  -2.921  -1.334   8.877
   10    HE3  LYS   1           HE1      LYS   1  -2.075  -2.878   8.823
   11    HZ1  LYS   1           HZ1      LYS   1  -4.429  -3.878   8.949
   12    HZ2  LYS   1           HZ2      LYS   1  -3.905  -3.217   7.480
   13    HZ3  LYS   1           HZ3      LYS   1  -4.951  -2.335   8.472
   14    H    GLU   2           HN       GLU   2  -8.386  -0.812  11.940
   15    HA   GLU   2           HA       GLU   2  -9.403  -0.595   9.366
   16    HB2  GLU   2           HB2      GLU   2 -10.317   0.484  11.453
   17    HB3  GLU   2           HB1      GLU   2  -9.067   1.710  11.285
   18    HG2  GLU   2           HG2      GLU   2 -11.244   2.421  10.383
   19    HG3  GLU   2           HG1      GLU   2  -9.962   2.413   9.171
   20    H    SER   3           HN       SER   3  -8.571   0.028   7.537
   21    HA   SER   3           HA       SER   3  -6.769   2.211   7.255
   22    HB2  SER   3           HB2      SER   3  -5.047   0.527   6.105
   23    HB3  SER   3           HB1      SER   3  -4.944   0.924   7.820
   24    HG   SER   3           HG       SER   3  -6.495  -1.010   7.962
   25    H    VAL   4           HN       VAL   4  -5.729   1.704   4.744
   26    HA   VAL   4           HA       VAL   4  -8.174   1.716   3.191
   27    HB   VAL   4           HB       VAL   4  -6.730   2.264   1.252
   28   HG11  VAL   4          HG11      VAL   4  -6.071   4.497   2.029
   29   HG12  VAL   4          HG12      VAL   4  -6.302   3.975   3.697
   30   HG13  VAL   4          HG13      VAL   4  -7.678   4.045   2.596
   31   HG21  VAL   4          HG21      VAL   4  -4.702   1.091   1.909
   32   HG22  VAL   4          HG22      VAL   4  -4.487   2.193   3.268
   33   HG23  VAL   4          HG23      VAL   4  -4.364   2.797   1.616
   34    H    ARG   5           HN       ARG   5  -8.812   0.220   1.713
   35    HA   ARG   5           HA       ARG   5  -7.379  -2.336   1.804
   36    HB2  ARG   5           HB2      ARG   5 -10.254  -1.629   1.257
   37    HB3  ARG   5           HB1      ARG   5  -9.597  -3.188   0.780
   38    HG2  ARG   5           HG2      ARG   5 -10.522  -3.657   2.837
   39    HG3  ARG   5           HG1      ARG   5  -8.838  -3.345   3.257
   40    HD2  ARG   5           HD2      ARG   5  -9.542  -0.951   3.704
   41    HD3  ARG   5           HD1      ARG   5 -11.206  -1.519   3.586
   42    HE   ARG   5           HE       ARG   5  -9.665  -3.062   5.439
   43   HH11  ARG   5          HH11      ARG   5 -11.422  -0.060   5.066
   44   HH12  ARG   5          HH12      ARG   5 -11.737   0.132   6.767
   45   HH21  ARG   5          HH21      ARG   5 -10.093  -2.833   7.677
   46   HH22  ARG   5          HH22      ARG   5 -11.012  -1.460   8.247
   47    H    LEU   6           HN       LEU   6  -5.981  -2.499   0.200
   48    HA   LEU   6           HA       LEU   6  -6.828  -1.661  -2.497
   49    HB2  LEU   6           HB2      LEU   6  -3.998  -1.768  -1.466
   50    HB3  LEU   6           HB1      LEU   6  -4.550  -1.091  -2.986
   51    HG   LEU   6           HG       LEU   6  -5.476   0.054  -0.369
   52   HD11  LEU   6          HD11      LEU   6  -2.978   0.825  -1.868
   53   HD12  LEU   6          HD12      LEU   6  -3.028   0.000  -0.309
   54   HD13  LEU   6          HD13      LEU   6  -3.646   1.645  -0.457
   55   HD21  LEU   6          HD21      LEU   6  -5.133   1.216  -3.132
   56   HD22  LEU   6          HD22      LEU   6  -5.754   2.069  -1.718
   57   HD23  LEU   6          HD23      LEU   6  -6.659   0.718  -2.400
   58    H    CYS   7           HN       CYS   7  -6.936  -3.262  -3.954
   59    HA   CYS   7           HA       CYS   7  -5.794  -5.853  -3.214
   60    HB2  CYS   7           HB2      CYS   7  -8.006  -5.034  -5.072
   61    HB3  CYS   7           HB1      CYS   7  -7.279  -6.636  -5.169
   62    H    GLY   8           HN       GLY   8  -3.885  -6.316  -3.994
   63    HA2  GLY   8           HA2      GLY   8  -2.054  -6.473  -5.366
   64    HA3  GLY   8           HA1      GLY   8  -3.239  -6.754  -6.624
   65    H    LEU   9           HN       LEU   9  -3.585  -5.236  -8.139
   66    HA   LEU   9           HA       LEU   9  -1.591  -3.433  -8.772
   67    HB2  LEU   9           HB2      LEU   9  -4.487  -3.407  -9.614
   68    HB3  LEU   9           HB1      LEU   9  -3.220  -2.465 -10.375
   69    HG   LEU   9           HG       LEU   9  -3.284  -5.482 -10.273
   70   HD11  LEU   9          HD11      LEU   9  -5.098  -4.613 -11.643
   71   HD12  LEU   9          HD12      LEU   9  -3.851  -5.352 -12.648
   72   HD13  LEU   9          HD13      LEU   9  -3.959  -3.596 -12.525
   73   HD21  LEU   9          HD21      LEU   9  -1.028  -4.639 -10.422
   74   HD22  LEU   9          HD22      LEU   9  -1.488  -3.544 -11.725
   75   HD23  LEU   9          HD23      LEU   9  -1.514  -5.287 -11.989
   76    H    GLU  10           HN       GLU  10  -4.628  -2.847  -7.051
   77    HA   GLU  10           HA       GLU  10  -4.398  -0.041  -6.944
   78    HB2  GLU  10           HB2      GLU  10  -5.760  -1.838  -4.927
   79    HB3  GLU  10           HB1      GLU  10  -6.071  -0.126  -5.182
   80    HG2  GLU  10           HG2      GLU  10  -6.936  -2.472  -6.768
   81    HG3  GLU  10           HG1      GLU  10  -7.812  -1.001  -6.347
   82    H    TYR  11           HN       TYR  11  -3.212  -2.606  -4.873
   83    HA   TYR  11           HA       TYR  11  -2.207  -0.925  -2.815
   84    HB2  TYR  11           HB2      TYR  11  -2.628  -3.306  -2.417
   85    HB3  TYR  11           HB1      TYR  11  -1.425  -3.740  -3.627
   86    HD1  TYR  11           HD1      TYR  11  -1.778  -1.888  -0.419
   87    HD2  TYR  11           HD2      TYR  11   0.766  -4.157  -2.958
   88    HE1  TYR  11           HE1      TYR  11  -0.048  -1.883   1.321
   89    HE2  TYR  11           HE2      TYR  11   2.507  -4.160  -1.220
   90    HH   TYR  11           HH       TYR  11   1.902  -3.199   1.980
   91    H    ILE  12           HN       ILE  12  -0.774  -2.554  -5.586
   92    HA   ILE  12           HA       ILE  12   1.860  -1.725  -5.323
   93    HB   ILE  12           HB       ILE  12   0.269  -2.285  -7.831
   94   HG12  ILE  12          HG12      ILE  12   0.298  -4.211  -6.414
   95   HG13  ILE  12          HG11      ILE  12   1.468  -4.490  -7.700
   96   HG21  ILE  12          HG21      ILE  12   3.260  -2.132  -7.476
   97   HG22  ILE  12          HG22      ILE  12   2.258  -1.001  -8.386
   98   HG23  ILE  12          HG23      ILE  12   2.423  -2.670  -8.932
   99   HD11  ILE  12          HD11      ILE  12   2.037  -3.718  -4.855
  100   HD12  ILE  12          HD12      ILE  12   3.256  -3.782  -6.127
  101   HD13  ILE  12          HD13      ILE  12   2.402  -5.249  -5.649
  102    H    ARG  13           HN       ARG  13  -0.814  -0.161  -7.070
  103    HA   ARG  13           HA       ARG  13   0.650   1.981  -8.131
  104    HB2  ARG  13           HB2      ARG  13  -2.155   1.270  -7.827
  105    HB3  ARG  13           HB1      ARG  13  -1.892   3.002  -7.680
  106    HG2  ARG  13           HG2      ARG  13  -2.191   2.860  -9.924
  107    HG3  ARG  13           HG1      ARG  13  -0.447   2.606  -9.857
  108    HD2  ARG  13           HD2      ARG  13  -1.368   0.956 -11.315
  109    HD3  ARG  13           HD1      ARG  13  -0.885   0.147  -9.825
  110    HE   ARG  13           HE       ARG  13  -3.131  -0.191  -9.285
  111   HH11  ARG  13          HH11      ARG  13  -2.782   1.570 -12.291
  112   HH12  ARG  13          HH12      ARG  13  -4.429   1.346 -12.770
  113   HH21  ARG  13          HH21      ARG  13  -5.335  -0.494  -9.914
  114   HH22  ARG  13          HH22      ARG  13  -5.875   0.184 -11.418
  115    H    THR  14           HN       THR  14  -1.137   1.720  -5.080
  116    HA   THR  14           HA       THR  14  -0.712   4.394  -4.275
  117    HB   THR  14           HB       THR  14  -1.169   2.023  -2.460
  118    HG1  THR  14           HG1      THR  14  -2.846   1.958  -3.901
  119   HG21  THR  14          HG21      THR  14  -0.566   4.117  -1.321
  120   HG22  THR  14          HG22      THR  14  -2.243   3.670  -1.004
  121   HG23  THR  14          HG23      THR  14  -1.875   4.948  -2.163
  122    H    VAL  15           HN       VAL  15   1.071   1.396  -3.638
  123    HA   VAL  15           HA       VAL  15   2.896   2.461  -1.783
  124    HB   VAL  15           HB       VAL  15   3.164   0.109  -3.659
  125   HG11  VAL  15          HG11      VAL  15   4.960   0.887  -1.361
  126   HG12  VAL  15          HG12      VAL  15   5.390   0.928  -3.071
  127   HG13  VAL  15          HG13      VAL  15   5.054  -0.613  -2.283
  128   HG21  VAL  15          HG21      VAL  15   2.708  -1.217  -1.682
  129   HG22  VAL  15          HG22      VAL  15   1.412  -0.048  -1.939
  130   HG23  VAL  15          HG23      VAL  15   2.628   0.242  -0.695
  131    H    ILE  16           HN       ILE  16   3.332   1.860  -5.290
  132    HA   ILE  16           HA       ILE  16   5.894   2.992  -5.435
  133    HB   ILE  16           HB       ILE  16   5.564   3.165  -7.857
  134   HG12  ILE  16          HG12      ILE  16   2.713   2.337  -7.259
  135   HG13  ILE  16          HG11      ILE  16   3.223   3.902  -7.881
  136   HG21  ILE  16          HG21      ILE  16   4.528   0.607  -6.643
  137   HG22  ILE  16          HG22      ILE  16   6.218   1.039  -6.900
  138   HG23  ILE  16          HG23      ILE  16   5.154   0.779  -8.282
  139   HD11  ILE  16          HD11      ILE  16   3.448   1.253  -9.289
  140   HD12  ILE  16          HD12      ILE  16   4.052   2.788  -9.913
  141   HD13  ILE  16          HD13      ILE  16   2.322   2.558  -9.660
  142    H    TYR  17           HN       TYR  17   2.733   4.479  -5.496
  143    HA   TYR  17           HA       TYR  17   3.516   6.988  -6.535
  144    HB2  TYR  17           HB2      TYR  17   1.143   6.092  -6.268
  145    HB3  TYR  17           HB1      TYR  17   1.268   6.537  -4.570
  146    HD1  TYR  17           HD1      TYR  17   1.233   7.859  -8.017
  147    HD2  TYR  17           HD2      TYR  17   1.034   8.806  -3.874
  148    HE1  TYR  17           HE1      TYR  17   0.526  10.146  -8.580
  149    HE2  TYR  17           HE2      TYR  17   0.326  11.095  -4.425
  150    HH   TYR  17           HH       TYR  17   0.539  12.668  -6.373
  151    H    ILE  18           HN       ILE  18   3.053   5.856  -3.190
  152    HA   ILE  18           HA       ILE  18   3.920   8.268  -1.977
  153    HB   ILE  18           HB       ILE  18   3.861   5.463  -0.848
  154   HG12  ILE  18          HG12      ILE  18   1.906   7.756  -0.560
  155   HG13  ILE  18          HG11      ILE  18   1.655   6.314  -1.540
  156   HG21  ILE  18          HG21      ILE  18   5.400   6.869   0.408
  157   HG22  ILE  18          HG22      ILE  18   3.950   6.535   1.355
  158   HG23  ILE  18          HG23      ILE  18   4.154   8.105   0.579
  159   HD11  ILE  18          HD11      ILE  18   1.678   4.932   0.448
  160   HD12  ILE  18          HD12      ILE  18   0.468   6.208   0.595
  161   HD13  ILE  18          HD13      ILE  18   2.006   6.346   1.449
  162    H    CYS  19           HN       CYS  19   5.549   5.214  -2.713
  163    HA   CYS  19           HA       CYS  19   8.003   5.811  -1.506
  164    HB2  CYS  19           HB2      CYS  19   7.353   3.966  -3.803
  165    HB3  CYS  19           HB1      CYS  19   8.911   4.012  -2.984
  166    H    ALA  20           HN       ALA  20   6.695   6.867  -4.546
  167    HA   ALA  20           HA       ALA  20   9.311   7.719  -5.490
  168    HB1  ALA  20           HB1      ALA  20   7.709   6.817  -7.108
  169    HB2  ALA  20           HB2      ALA  20   8.157   8.481  -7.488
  170    HB3  ALA  20           HB3      ALA  20   6.598   8.136  -6.737
  171    H    SER  21           HN       SER  21   6.201   9.265  -4.715
  172    HA   SER  21           HA       SER  21   6.930  11.905  -5.027
  173    HB2  SER  21           HB2      SER  21   5.037  10.867  -2.917
  174    HB3  SER  21           HB1      SER  21   5.019  12.460  -3.673
  175    HG   SER  21           HG       SER  21   4.288   9.961  -4.746
  176    H    SER  22           HN       SER  22   7.750   9.769  -2.391
  177    HA   SER  22           HA       SER  22   8.362  11.734  -0.459
  178    HB2  SER  22           HB2      SER  22   9.954   9.722   0.307
  179    HB3  SER  22           HB1      SER  22   8.207   9.687   0.547
  180    HG   SER  22           HG       SER  22   7.986   8.255  -1.034
  181    H    ARG  23           HN       ARG  23  10.009  10.783  -3.320
  182    HA   ARG  23           HA       ARG  23  12.403  12.219  -2.376
  183    HB2  ARG  23           HB2      ARG  23  13.799  10.838  -3.693
  184    HB3  ARG  23           HB1      ARG  23  12.707   9.758  -2.843
  185    HG2  ARG  23           HG2      ARG  23  11.309   9.970  -5.062
  186    HG3  ARG  23           HG1      ARG  23  12.883  10.392  -5.735
  187    HD2  ARG  23           HD2      ARG  23  12.462   7.993  -5.922
  188    HD3  ARG  23           HD1      ARG  23  13.829   8.323  -4.859
  189    HE   ARG  23           HE       ARG  23  11.122   7.676  -3.859
  190   HH11  ARG  23          HH11      ARG  23  14.609   7.326  -3.696
  191   HH12  ARG  23          HH12      ARG  23  14.565   6.291  -2.309
  192   HH21  ARG  23          HH21      ARG  23  11.060   6.328  -2.041
  193   HH22  ARG  23          HH22      ARG  23  12.533   5.714  -1.358
  194    H    TRP  24           HN       TRP  24   9.767  12.589  -4.229
  195    HA   TRP  24           HA       TRP  24  11.204  14.168  -6.255
  196    HB2  TRP  24           HB2      TRP  24   8.413  13.006  -6.417
  197    HB3  TRP  24           HB1      TRP  24   9.180  13.989  -7.658
  198    HD1  TRP  24           HD1      TRP  24   8.249  10.671  -7.408
  199    HE1  TRP  24           HE1      TRP  24   9.861   9.021  -8.543
  200    HE3  TRP  24           HE3      TRP  24  12.370  13.660  -7.737
  201    HZ2  TRP  24           HZ2      TRP  24  12.530   8.986  -9.448
  202    HZ3  TRP  24           HZ3      TRP  24  14.416  12.743  -8.740
  203    HH2  TRP  24           HH2      TRP  24  14.495  10.454  -9.581
  204    HN1  NH2  25           H1       NH2  25  11.336  15.739  -4.464
  205    HN2  NH2  25           H2       NH2  25  10.012  16.822  -4.228
  206    H1   PCA   1           HN       PCA   1  -3.161 -11.834   5.445
  207    HA   PCA   1           HA       PCA   1  -1.814 -13.946   5.722
  208    HB2  PCA   1           HB2      PCA   1  -1.808 -14.564   2.904
  209    HB3  PCA   1           HB1      PCA   1  -2.452 -15.538   4.242
  210    HG2  PCA   1           HG2      PCA   1  -3.925 -14.048   2.300
  211    HG3  PCA   1           HG1      PCA   1  -4.555 -14.990   3.673
  212    H    ASP   2           HN       ASP   2  -1.549 -12.642   2.451
  213    HA   ASP   2           HA       ASP   2   1.223 -11.946   2.926
  214    HB2  ASP   2           HB2      ASP   2   1.194 -12.884   0.849
  215    HB3  ASP   2           HB1      ASP   2  -0.471 -12.407   0.546
  216    H    LEU   3           HN       LEU   3   2.046  -9.785   2.267
  217    HA   LEU   3           HA       LEU   3   0.742  -7.741   3.652
  218    HB2  LEU   3           HB2      LEU   3   3.140  -7.756   3.216
  219    HB3  LEU   3           HB1      LEU   3   2.849  -7.546   1.502
  220    HG   LEU   3           HG       LEU   3   1.973  -5.308   1.884
  221   HD11  LEU   3          HD11      LEU   3   0.936  -5.606   4.048
  222   HD12  LEU   3          HD12      LEU   3   2.098  -4.279   4.116
  223   HD13  LEU   3          HD13      LEU   3   2.512  -5.853   4.800
  224   HD21  LEU   3          HD21      LEU   3   4.608  -5.793   3.267
  225   HD22  LEU   3          HD22      LEU   3   4.032  -4.232   2.681
  226   HD23  LEU   3          HD23      LEU   3   4.361  -5.537   1.539
  227    H    GLN   4           HN       GLN   4   0.705  -8.511   0.196
  228    HA   GLN   4           HA       GLN   4  -0.920  -6.183  -0.418
  229    HB2  GLN   4           HB2      GLN   4  -0.452  -8.467  -2.308
  230    HB3  GLN   4           HB1      GLN   4  -0.659  -6.759  -2.670
  231    HG2  GLN   4           HG2      GLN   4   1.523  -6.258  -2.248
  232    HG3  GLN   4           HG1      GLN   4   1.716  -7.572  -1.088
  233   HE21  GLN   4          HE21      GLN   4   2.075  -9.678  -1.852
  234   HE22  GLN   4          HE22      GLN   4   2.676  -9.956  -3.451
  235    H    THR   5           HN       THR   5  -1.252  -9.633  -0.041
  236    HA   THR   5           HA       THR   5  -3.901  -9.915  -0.946
  237    HB   THR   5           HB       THR   5  -2.390 -11.608   1.063
  238    HG1  THR   5           HG1      THR   5  -1.350 -11.320  -1.024
  239   HG21  THR   5          HG21      THR   5  -3.887 -13.416   0.249
  240   HG22  THR   5          HG22      THR   5  -4.786 -12.221  -0.687
  241   HG23  THR   5          HG23      THR   5  -4.766 -12.129   1.075
  242    H    LEU   6           HN       LEU   6  -2.600  -9.530   2.355
  243    HA   LEU   6           HA       LEU   6  -5.149  -9.598   3.618
  244    HB2  LEU   6           HB2      LEU   6  -3.054 -10.147   4.780
  245    HB3  LEU   6           HB1      LEU   6  -2.535  -8.485   4.630
  246    HG   LEU   6           HG       LEU   6  -4.637  -7.904   5.985
  247   HD11  LEU   6          HD11      LEU   6  -5.713 -10.101   5.736
  248   HD12  LEU   6          HD12      LEU   6  -5.493  -9.646   7.425
  249   HD13  LEU   6          HD13      LEU   6  -4.414 -10.826   6.682
  250   HD21  LEU   6          HD21      LEU   6  -2.373  -9.434   7.257
  251   HD22  LEU   6          HD22      LEU   6  -3.475  -8.343   8.097
  252   HD23  LEU   6          HD23      LEU   6  -2.381  -7.714   6.865
  253    H    CYS   7           HN       CYS   7  -3.717  -7.268   1.706
  254    HA   CYS   7           HA       CYS   7  -4.566  -4.916   3.048
  255    HB2  CYS   7           HB2      CYS   7  -2.966  -5.384   0.906
  256    HB3  CYS   7           HB1      CYS   7  -4.433  -4.836   0.099
  257    H    CYS   8           HN       CYS   8  -6.154  -7.289   1.128
  258    HA   CYS   8           HA       CYS   8  -8.476  -5.577   0.682
  259    HB2  CYS   8           HB2      CYS   8  -8.079  -8.472  -0.103
  260    HB3  CYS   8           HB1      CYS   8  -9.339  -7.388  -0.679
  261    H    THR   9           HN       THR   9  -7.377  -8.237   2.642
  262    HA   THR   9           HA       THR   9  -9.945  -8.919   3.712
  263    HB   THR   9           HB       THR   9  -7.776  -9.728   5.414
  264    HG1  THR   9           HG1      THR   9  -6.666 -10.954   3.691
  265   HG21  THR   9          HG21      THR   9  -9.868 -10.959   5.128
  266   HG22  THR   9          HG22      THR   9  -8.481 -11.971   4.723
  267   HG23  THR   9          HG23      THR   9  -9.464 -11.267   3.439
  268    H    ASP  10           HN       ASP  10  -7.038  -7.386   5.079
  269    HA   ASP  10           HA       ASP  10  -8.691  -6.241   7.231
  270    HB2  ASP  10           HB2      ASP  10  -6.805  -7.610   7.999
  271    HB3  ASP  10           HB1      ASP  10  -5.697  -6.642   7.039
  272    H    GLY  11           HN       GLY  11  -5.828  -5.376   5.301
  273    HA2  GLY  11           HA2      GLY  11  -6.257  -3.327   3.845
  274    HA3  GLY  11           HA1      GLY  11  -6.731  -2.569   5.361
  275    H    CYS  12           HN       CYS  12  -4.804  -1.290   4.093
  276    HA   CYS  12           HA       CYS  12  -2.401  -1.984   5.646
  277    HB2  CYS  12           HB2      CYS  12  -2.365  -0.904   2.824
  278    HB3  CYS  12           HB1      CYS  12  -0.972  -1.368   3.794
  279    H    SER  13           HN       SER  13  -1.356  -0.311   6.601
  280    HA   SER  13           HA       SER  13  -2.704   2.282   6.506
  281    HB2  SER  13           HB2      SER  13  -0.393   1.974   8.303
  282    HB3  SER  13           HB1      SER  13  -2.027   2.535   8.659
  283    HG   SER  13           HG       SER  13  -1.020  -0.106   8.571
  284    H    MET  14           HN       MET  14  -1.330   4.257   6.429
  285    HA   MET  14           HA       MET  14   0.249   4.346   4.139
  286    HB2  MET  14           HB2      MET  14  -0.885   6.269   5.377
  287    HB3  MET  14           HB1      MET  14   0.524   6.286   6.422
  288    HG2  MET  14           HG2      MET  14   1.959   6.728   4.507
  289    HG3  MET  14           HG1      MET  14   0.557   6.689   3.440
  290    HE1  MET  14           HE1      MET  14   1.606  10.485   3.521
  291    HE2  MET  14           HE2      MET  14   1.342   9.074   2.495
  292    HE3  MET  14           HE3      MET  14   2.694   9.100   3.627
  293    H    THR  15           HN       THR  15   1.106   3.981   7.479
  294    HA   THR  15           HA       THR  15   3.880   4.263   7.341
  295    HB   THR  15           HB       THR  15   3.661   2.508   9.344
  296    HG1  THR  15           HG1      THR  15   1.603   1.893   9.363
  297   HG21  THR  15          HG21      THR  15   4.303   4.855   9.592
  298   HG22  THR  15          HG22      THR  15   3.134   4.395  10.831
  299   HG23  THR  15          HG23      THR  15   2.615   5.343   9.437
  300    H    ASP  16           HN       ASP  16   1.848   1.382   7.070
  301    HA   ASP  16           HA       ASP  16   3.839  -0.545   6.827
  302    HB2  ASP  16           HB2      ASP  16   1.275  -0.814   5.289
  303    HB3  ASP  16           HB1      ASP  16   2.169  -2.041   6.171
  304    H    LEU  17           HN       LEU  17   2.258   1.433   4.368
  305    HA   LEU  17           HA       LEU  17   3.563   0.173   2.159
  306    HB2  LEU  17           HB2      LEU  17   2.696   2.990   1.872
  307    HB3  LEU  17           HB1      LEU  17   2.405   1.616   0.826
  308    HG   LEU  17           HG       LEU  17   0.958   2.006   3.439
  309   HD11  LEU  17          HD11      LEU  17   0.099   2.833   0.678
  310   HD12  LEU  17          HD12      LEU  17   0.535   3.917   1.998
  311   HD13  LEU  17          HD13      LEU  17  -0.894   2.891   2.135
  312   HD21  LEU  17          HD21      LEU  17   0.951  -0.264   2.555
  313   HD22  LEU  17          HD22      LEU  17   0.358   0.334   1.005
  314   HD23  LEU  17          HD23      LEU  17  -0.651   0.466   2.446
  315    H    SER  18           HN       SER  18   4.160   3.068   4.091
  316    HA   SER  18           HA       SER  18   6.296   4.112   2.586
  317    HB2  SER  18           HB2      SER  18   5.810   4.375   5.567
  318    HB3  SER  18           HB1      SER  18   6.821   5.430   4.578
  319    HG   SER  18           HG       SER  18   4.014   5.052   4.317
  320    H    ALA  19           HN       ALA  19   6.104   1.418   4.721
  321    HA   ALA  19           HA       ALA  19   8.824   1.264   5.496
  322    HB1  ALA  19           HB1      ALA  19   6.791  -0.952   5.228
  323    HB2  ALA  19           HB2      ALA  19   7.061   0.034   6.665
  324    HB3  ALA  19           HB3      ALA  19   8.325  -1.054   6.092
  325    H    LEU  20           HN       LEU  20   7.103   0.491   2.597
  326    HA   LEU  20           HA       LEU  20   9.306  -1.109   1.527
  327    HB2  LEU  20           HB2      LEU  20   6.814  -0.219   0.082
  328    HB3  LEU  20           HB1      LEU  20   7.887  -1.535  -0.349
  329    HG   LEU  20           HG       LEU  20   6.057  -1.476   2.052
  330   HD11  LEU  20          HD11      LEU  20   4.815  -3.206   0.851
  331   HD12  LEU  20          HD12      LEU  20   5.894  -3.020  -0.532
  332   HD13  LEU  20          HD13      LEU  20   4.845  -1.688  -0.046
  333   HD21  LEU  20          HD21      LEU  20   6.687  -3.827   2.316
  334   HD22  LEU  20          HD22      LEU  20   8.078  -2.758   2.494
  335   HD23  LEU  20          HD23      LEU  20   7.847  -3.663   0.998
  336    H    CYS  21           HN       CYS  21   8.559   2.058   1.905
  337    HA   CYS  21           HA       CYS  21   9.595   3.001  -0.642
  338    HB2  CYS  21           HB2      CYS  21   8.538   4.476   1.776
  339    HB3  CYS  21           HB1      CYS  21   9.034   5.244   0.275
  340    HN1  NH2  22           H1       NH2  22  10.727   2.259   2.459
  341    HN2  NH2  22           H2       NH2  22  12.259   3.051   2.364
  Start of MODEL    6
    1    H1   LYS   1           HN       LYS   1  -9.574  -3.320  12.811
    2    HA   LYS   1           HA       LYS   1  -7.637  -1.150  13.236
    3    HB2  LYS   1           HB2      LYS   1  -6.763  -3.518  13.775
    4    HB3  LYS   1           HB1      LYS   1  -6.843  -3.799  12.042
    5    HG2  LYS   1           HG2      LYS   1  -5.441  -1.571  11.956
    6    HG3  LYS   1           HG1      LYS   1  -5.016  -2.048  13.601
    7    HD2  LYS   1           HD2      LYS   1  -3.415  -3.286  12.641
    8    HD3  LYS   1           HD1      LYS   1  -4.719  -4.392  12.206
    9    HE2  LYS   1           HE2      LYS   1  -3.865  -2.087  10.466
   10    HE3  LYS   1           HE1      LYS   1  -3.173  -3.702  10.328
   11    HZ1  LYS   1           HZ1      LYS   1  -6.055  -3.040  10.005
   12    HZ2  LYS   1           HZ2      LYS   1  -5.358  -4.581   9.834
   13    HZ3  LYS   1           HZ3      LYS   1  -4.965  -3.345   8.742
   14    H    GLU   2           HN       GLU   2  -9.818  -0.737  11.724
   15    HA   GLU   2           HA       GLU   2  -9.658  -1.502   9.032
   16    HB2  GLU   2           HB2      GLU   2 -11.651  -0.460  10.189
   17    HB3  GLU   2           HB1      GLU   2 -10.835   1.092  10.029
   18    HG2  GLU   2           HG2      GLU   2 -12.524   0.606   8.256
   19    HG3  GLU   2           HG1      GLU   2 -10.906   0.983   7.658
   20    H    SER   3           HN       SER   3  -8.935  -0.420   7.210
   21    HA   SER   3           HA       SER   3  -7.327   1.961   7.413
   22    HB2  SER   3           HB2      SER   3  -6.031  -0.695   6.748
   23    HB3  SER   3           HB1      SER   3  -5.260   0.880   6.574
   24    HG   SER   3           HG       SER   3  -6.316   0.526   9.058
   25    H    VAL   4           HN       VAL   4  -5.919   1.602   4.972
   26    HA   VAL   4           HA       VAL   4  -8.156   1.925   3.173
   27    HB   VAL   4           HB       VAL   4  -6.361   2.311   1.417
   28   HG11  VAL   4          HG11      VAL   4  -5.858   4.570   2.250
   29   HG12  VAL   4          HG12      VAL   4  -6.438   4.095   3.847
   30   HG13  VAL   4          HG13      VAL   4  -7.551   4.134   2.480
   31   HG21  VAL   4          HG21      VAL   4  -4.520   1.156   2.545
   32   HG22  VAL   4          HG22      VAL   4  -4.565   2.350   3.842
   33   HG23  VAL   4          HG23      VAL   4  -4.115   2.839   2.209
   34    H    ARG   5           HN       ARG   5  -9.058   0.360   2.084
   35    HA   ARG   5           HA       ARG   5  -7.875  -2.263   2.016
   36    HB2  ARG   5           HB2      ARG   5 -10.458  -1.265   0.802
   37    HB3  ARG   5           HB1      ARG   5  -9.969  -2.950   0.924
   38    HG2  ARG   5           HG2      ARG   5 -10.289  -1.179   3.318
   39    HG3  ARG   5           HG1      ARG   5 -11.614  -2.128   2.647
   40    HD2  ARG   5           HD2      ARG   5 -10.389  -4.170   3.035
   41    HD3  ARG   5           HD1      ARG   5  -8.980  -3.260   3.578
   42    HE   ARG   5           HE       ARG   5 -10.729  -2.401   5.345
   43   HH11  ARG   5          HH11      ARG   5 -10.327  -5.659   4.110
   44   HH12  ARG   5          HH12      ARG   5 -10.850  -6.413   5.582
   45   HH21  ARG   5          HH21      ARG   5 -11.491  -3.375   7.243
   46   HH22  ARG   5          HH22      ARG   5 -11.521  -5.111   7.365
   47    H    LEU   6           HN       LEU   6  -6.015  -1.576   0.770
   48    HA   LEU   6           HA       LEU   6  -6.499  -1.029  -2.046
   49    HB2  LEU   6           HB2      LEU   6  -3.879  -1.390  -0.596
   50    HB3  LEU   6           HB1      LEU   6  -4.106  -0.763  -2.218
   51    HG   LEU   6           HG       LEU   6  -5.117   0.591   0.282
   52   HD11  LEU   6          HD11      LEU   6  -2.683   0.539   0.245
   53   HD12  LEU   6          HD12      LEU   6  -3.287   2.169  -0.053
   54   HD13  LEU   6          HD13      LEU   6  -2.687   1.194  -1.393
   55   HD21  LEU   6          HD21      LEU   6  -4.946   1.510  -2.586
   56   HD22  LEU   6          HD22      LEU   6  -5.409   2.521  -1.217
   57   HD23  LEU   6          HD23      LEU   6  -6.419   1.152  -1.683
   58    H    CYS   7           HN       CYS   7  -7.160  -2.795  -3.090
   59    HA   CYS   7           HA       CYS   7  -5.864  -5.352  -2.518
   60    HB2  CYS   7           HB2      CYS   7  -8.155  -5.119  -4.414
   61    HB3  CYS   7           HB1      CYS   7  -7.767  -6.400  -3.270
   62    H    GLY   8           HN       GLY   8  -4.198  -5.895  -3.700
   63    HA2  GLY   8           HA2      GLY   8  -2.771  -6.197  -5.466
   64    HA3  GLY   8           HA1      GLY   8  -4.215  -6.253  -6.457
   65    H    LEU   9           HN       LEU   9  -4.550  -4.692  -7.875
   66    HA   LEU   9           HA       LEU   9  -2.544  -2.960  -8.655
   67    HB2  LEU   9           HB2      LEU   9  -4.571  -3.767  -9.963
   68    HB3  LEU   9           HB1      LEU   9  -5.465  -2.477  -9.184
   69    HG   LEU   9           HG       LEU   9  -3.961  -0.816 -10.197
   70   HD11  LEU   9          HD11      LEU   9  -2.684  -3.229 -11.471
   71   HD12  LEU   9          HD12      LEU   9  -1.925  -2.065 -10.384
   72   HD13  LEU   9          HD13      LEU   9  -2.422  -1.568 -12.001
   73   HD21  LEU   9          HD21      LEU   9  -5.161  -2.749 -12.176
   74   HD22  LEU   9          HD22      LEU   9  -4.728  -1.072 -12.504
   75   HD23  LEU   9          HD23      LEU   9  -6.013  -1.442 -11.354
   76    H    GLU  10           HN       GLU  10  -5.282  -2.357  -6.512
   77    HA   GLU  10           HA       GLU  10  -4.983   0.433  -6.315
   78    HB2  GLU  10           HB2      GLU  10  -5.999  -1.451  -4.177
   79    HB3  GLU  10           HB1      GLU  10  -6.321   0.274  -4.290
   80    HG2  GLU  10           HG2      GLU  10  -7.376  -1.951  -5.990
   81    HG3  GLU  10           HG1      GLU  10  -8.264  -0.728  -5.081
   82    H    TYR  11           HN       TYR  11  -3.563  -2.227  -4.487
   83    HA   TYR  11           HA       TYR  11  -2.186  -0.609  -2.600
   84    HB2  TYR  11           HB2      TYR  11  -2.649  -2.944  -2.109
   85    HB3  TYR  11           HB1      TYR  11  -1.718  -3.458  -3.510
   86    HD1  TYR  11           HD2      TYR  11  -1.373  -1.686  -0.252
   87    HD2  TYR  11           HD1      TYR  11   0.546  -3.974  -3.281
   88    HE1  TYR  11           HE2      TYR  11   0.635  -1.856   1.154
   89    HE2  TYR  11           HE1      TYR  11   2.559  -4.148  -1.882
   90    HH   TYR  11           HH       TYR  11   2.585  -3.121   1.431
   91    H    ILE  12           HN       ILE  12  -1.143  -2.356  -5.492
   92    HA   ILE  12           HA       ILE  12   1.524  -1.623  -5.555
   93    HB   ILE  12           HB       ILE  12  -0.348  -2.062  -7.886
   94   HG12  ILE  12          HG12      ILE  12   1.588  -4.052  -6.731
   95   HG13  ILE  12          HG11      ILE  12  -0.051  -3.892  -6.103
   96   HG21  ILE  12          HG21      ILE  12   1.685  -0.942  -8.610
   97   HG22  ILE  12          HG22      ILE  12   1.668  -2.615  -9.167
   98   HG23  ILE  12          HG23      ILE  12   2.665  -2.156  -7.787
   99   HD11  ILE  12          HD11      ILE  12   0.030  -5.675  -7.706
  100   HD12  ILE  12          HD12      ILE  12   0.736  -4.603  -8.915
  101   HD13  ILE  12          HD13      ILE  12  -0.919  -4.341  -8.364
  102    H    ARG  13           HN       ARG  13  -1.245   0.023  -7.043
  103    HA   ARG  13           HA       ARG  13   0.152   2.097  -8.295
  104    HB2  ARG  13           HB2      ARG  13  -2.302   1.364  -8.531
  105    HB3  ARG  13           HB1      ARG  13  -2.608   2.409  -7.152
  106    HG2  ARG  13           HG2      ARG  13  -1.688   4.308  -8.420
  107    HG3  ARG  13           HG1      ARG  13  -1.474   3.243  -9.812
  108    HD2  ARG  13           HD2      ARG  13  -4.037   4.111  -8.502
  109    HD3  ARG  13           HD1      ARG  13  -3.519   4.374 -10.166
  110    HE   ARG  13           HE       ARG  13  -3.819   1.973 -10.526
  111   HH11  ARG  13          HH11      ARG  13  -5.346   3.366  -7.695
  112   HH12  ARG  13          HH12      ARG  13  -6.550   2.112  -7.565
  113   HH21  ARG  13          HH21      ARG  13  -5.426   0.346 -10.365
  114   HH22  ARG  13          HH22      ARG  13  -6.581   0.395  -9.062
  115    H    THR  14           HN       THR  14  -1.293   1.952  -5.053
  116    HA   THR  14           HA       THR  14  -0.647   4.649  -4.426
  117    HB   THR  14           HB       THR  14  -1.154   2.459  -2.415
  118    HG1  THR  14           HG1      THR  14  -2.918   2.309  -3.714
  119   HG21  THR  14          HG21      THR  14  -1.726   5.427  -2.391
  120   HG22  THR  14          HG22      THR  14  -0.424   4.623  -1.514
  121   HG23  THR  14          HG23      THR  14  -2.105   4.292  -1.096
  122    H    VAL  15           HN       VAL  15   0.982   1.549  -3.904
  123    HA   VAL  15           HA       VAL  15   2.977   2.487  -2.148
  124    HB   VAL  15           HB       VAL  15   2.969   0.161  -4.071
  125   HG11  VAL  15          HG11      VAL  15   5.069   0.849  -2.013
  126   HG12  VAL  15          HG12      VAL  15   5.285   0.870  -3.763
  127   HG13  VAL  15          HG13      VAL  15   4.982  -0.655  -2.930
  128   HG21  VAL  15          HG21      VAL  15   2.742  -1.160  -2.033
  129   HG22  VAL  15          HG22      VAL  15   1.438   0.019  -2.174
  130   HG23  VAL  15          HG23      VAL  15   2.779   0.315  -1.067
  131    H    ILE  16           HN       ILE  16   3.098   2.001  -5.690
  132    HA   ILE  16           HA       ILE  16   5.689   3.042  -6.006
  133    HB   ILE  16           HB       ILE  16   5.130   3.345  -8.395
  134   HG12  ILE  16          HG12      ILE  16   2.358   2.504  -7.514
  135   HG13  ILE  16          HG11      ILE  16   2.808   4.059  -8.204
  136   HG21  ILE  16          HG21      ILE  16   4.240   0.730  -7.186
  137   HG22  ILE  16          HG22      ILE  16   5.894   1.191  -7.589
  138   HG23  ILE  16          HG23      ILE  16   4.702   0.972  -8.871
  139   HD11  ILE  16          HD11      ILE  16   3.427   2.887 -10.298
  140   HD12  ILE  16          HD12      ILE  16   1.720   2.742  -9.876
  141   HD13  ILE  16          HD13      ILE  16   2.816   1.390  -9.591
  142    H    TYR  17           HN       TYR  17   2.567   4.598  -5.796
  143    HA   TYR  17           HA       TYR  17   3.368   7.148  -6.734
  144    HB2  TYR  17           HB2      TYR  17   0.998   6.408  -6.550
  145    HB3  TYR  17           HB1      TYR  17   1.141   6.472  -4.797
  146    HD1  TYR  17           HD1      TYR  17   1.323   8.566  -7.860
  147    HD2  TYR  17           HD2      TYR  17   0.770   8.485  -3.642
  148    HE1  TYR  17           HE1      TYR  17   0.669  10.936  -7.905
  149    HE2  TYR  17           HE2      TYR  17   0.115  10.854  -3.676
  150    HH   TYR  17           HH       TYR  17   0.491  12.847  -5.157
  151    H    ILE  18           HN       ILE  18   3.016   5.799  -3.458
  152    HA   ILE  18           HA       ILE  18   3.899   8.098  -2.081
  153    HB   ILE  18           HB       ILE  18   3.999   5.196  -1.231
  154   HG12  ILE  18          HG12      ILE  18   2.032   7.379  -0.505
  155   HG13  ILE  18          HG11      ILE  18   1.736   6.135  -1.716
  156   HG21  ILE  18          HG21      ILE  18   4.213   6.048   1.059
  157   HG22  ILE  18          HG22      ILE  18   4.332   7.692   0.432
  158   HG23  ILE  18          HG23      ILE  18   5.589   6.513   0.058
  159   HD11  ILE  18          HD11      ILE  18   0.666   5.624   0.419
  160   HD12  ILE  18          HD12      ILE  18   2.243   5.634   1.209
  161   HD13  ILE  18          HD13      ILE  18   1.876   4.414  -0.012
  162    H    CYS  19           HN       CYS  19   5.623   5.160  -3.099
  163    HA   CYS  19           HA       CYS  19   8.125   5.817  -2.052
  164    HB2  CYS  19           HB2      CYS  19   7.409   4.155  -4.471
  165    HB3  CYS  19           HB1      CYS  19   9.026   4.243  -3.786
  166    H    ALA  20           HN       ALA  20   6.680   6.627  -5.192
  167    HA   ALA  20           HA       ALA  20   9.016   7.843  -6.249
  168    HB1  ALA  20           HB1      ALA  20   6.135   8.323  -7.001
  169    HB2  ALA  20           HB2      ALA  20   7.191   7.088  -7.689
  170    HB3  ALA  20           HB3      ALA  20   7.549   8.797  -7.945
  171    H    SER  21           HN       SER  21   6.111   9.187  -4.692
  172    HA   SER  21           HA       SER  21   6.784  11.881  -4.857
  173    HB2  SER  21           HB2      SER  21   5.278  10.534  -2.605
  174    HB3  SER  21           HB1      SER  21   5.192  12.238  -3.052
  175    HG   SER  21           HG       SER  21   4.269   9.985  -4.504
  176    H    SER  22           HN       SER  22   7.748   9.458  -2.488
  177    HA   SER  22           HA       SER  22   9.017  11.295  -0.719
  178    HB2  SER  22           HB2      SER  22   9.525   8.324  -0.972
  179    HB3  SER  22           HB1      SER  22   9.827   9.342   0.437
  180    HG   SER  22           HG       SER  22   7.356   8.500  -0.650
  181    H    ARG  23           HN       ARG  23   9.947   9.877  -3.703
  182    HA   ARG  23           HA       ARG  23  12.787  10.269  -3.172
  183    HB2  ARG  23           HB2      ARG  23  13.220   8.836  -4.880
  184    HB3  ARG  23           HB1      ARG  23  11.569   8.327  -4.574
  185    HG2  ARG  23           HG2      ARG  23  11.090   8.750  -6.692
  186    HG3  ARG  23           HG1      ARG  23  11.408  10.459  -6.399
  187    HD2  ARG  23           HD2      ARG  23  13.538   8.446  -7.109
  188    HD3  ARG  23           HD1      ARG  23  12.708   9.457  -8.291
  189    HE   ARG  23           HE       ARG  23  13.735  11.130  -6.302
  190   HH11  ARG  23          HH11      ARG  23  14.923   9.002  -8.819
  191   HH12  ARG  23          HH12      ARG  23  16.387   9.894  -9.062
  192   HH21  ARG  23          HH21      ARG  23  15.653  12.307  -6.610
  193   HH22  ARG  23          HH22      ARG  23  16.807  11.788  -7.794
  194    H    TRP  24           HN       TRP  24  10.137  11.916  -4.539
  195    HA   TRP  24           HA       TRP  24  11.784  13.631  -6.209
  196    HB2  TRP  24           HB2      TRP  24   8.818  13.715  -5.613
  197    HB3  TRP  24           HB1      TRP  24   9.647  14.785  -6.736
  198    HD1  TRP  24           HD1      TRP  24   7.411  12.132  -7.026
  199    HE1  TRP  24           HE1      TRP  24   7.799  10.653  -9.093
  200    HE3  TRP  24           HE3      TRP  24  12.200  13.530  -8.145
  201    HZ2  TRP  24           HZ2      TRP  24   9.857  10.144 -10.951
  202    HZ3  TRP  24           HZ3      TRP  24  13.306  12.498 -10.082
  203    HH2  TRP  24           HH2      TRP  24  12.158  10.840 -11.458
  204    HN1  NH2  25           H1       NH2  25   9.687  13.958  -3.373
  205    HN2  NH2  25           H2       NH2  25  10.424  15.403  -2.777
  206    H1   PCA   1           HN       PCA   1  -2.882 -12.099   4.834
  207    HA   PCA   1           HA       PCA   1  -1.492 -14.195   4.761
  208    HB2  PCA   1           HB2      PCA   1  -1.637 -14.473   1.896
  209    HB3  PCA   1           HB1      PCA   1  -2.216 -15.604   3.137
  210    HG2  PCA   1           HG2      PCA   1  -3.782 -13.900   1.460
  211    HG3  PCA   1           HG1      PCA   1  -4.344 -15.006   2.736
  212    H    ASP   2           HN       ASP   2  -1.417 -12.564   1.638
  213    HA   ASP   2           HA       ASP   2   1.352 -11.831   2.014
  214    HB2  ASP   2           HB2      ASP   2   1.170 -12.446  -0.178
  215    HB3  ASP   2           HB1      ASP   2  -0.528 -12.002  -0.263
  216    H    LEU   3           HN       LEU   3   2.093  -9.575   1.773
  217    HA   LEU   3           HA       LEU   3   0.707  -7.818   3.456
  218    HB2  LEU   3           HB2      LEU   3   3.199  -7.856   2.456
  219    HB3  LEU   3           HB1      LEU   3   2.497  -6.646   1.399
  220    HG   LEU   3           HG       LEU   3   2.427  -6.463   4.411
  221   HD11  LEU   3          HD11      LEU   3   4.726  -6.410   3.768
  222   HD12  LEU   3          HD12      LEU   3   4.215  -4.757   4.113
  223   HD13  LEU   3          HD13      LEU   3   4.382  -5.298   2.443
  224   HD21  LEU   3          HD21      LEU   3   0.703  -5.146   3.401
  225   HD22  LEU   3          HD22      LEU   3   1.830  -4.491   2.214
  226   HD23  LEU   3          HD23      LEU   3   1.994  -4.060   3.916
  227    H    GLN   4           HN       GLN   4   1.004  -7.793  -0.082
  228    HA   GLN   4           HA       GLN   4  -0.690  -5.585  -0.540
  229    HB2  GLN   4           HB2      GLN   4   0.693  -6.152  -2.328
  230    HB3  GLN   4           HB1      GLN   4   0.345  -7.866  -2.183
  231    HG2  GLN   4           HG2      GLN   4  -2.085  -7.005  -2.865
  232    HG3  GLN   4           HG1      GLN   4  -1.115  -5.742  -3.622
  233   HE21  GLN   4          HE21      GLN   4  -0.151  -9.101  -3.177
  234   HE22  GLN   4          HE22      GLN   4  -0.104  -9.488  -4.864
  235    H    THR   5           HN       THR   5  -1.252  -9.040  -0.384
  236    HA   THR   5           HA       THR   5  -3.965  -9.045  -1.124
  237    HB   THR   5           HB       THR   5  -2.411 -11.011   0.587
  238    HG1  THR   5           HG1      THR   5  -1.572 -10.681  -1.548
  239   HG21  THR   5          HG21      THR   5  -4.142 -12.634  -0.188
  240   HG22  THR   5          HG22      THR   5  -5.054 -11.287  -0.870
  241   HG23  THR   5          HG23      THR   5  -4.790 -11.382   0.871
  242    H    LEU   6           HN       LEU   6  -2.444  -9.144   2.099
  243    HA   LEU   6           HA       LEU   6  -4.836  -9.184   3.578
  244    HB2  LEU   6           HB2      LEU   6  -2.544  -9.785   4.401
  245    HB3  LEU   6           HB1      LEU   6  -2.191  -8.074   4.492
  246    HG   LEU   6           HG       LEU   6  -4.241  -7.942   6.046
  247   HD11  LEU   6          HD11      LEU   6  -3.631 -10.882   6.286
  248   HD12  LEU   6          HD12      LEU   6  -5.068 -10.206   5.520
  249   HD13  LEU   6          HD13      LEU   6  -4.790  -9.961   7.244
  250   HD21  LEU   6          HD21      LEU   6  -1.952  -7.608   6.795
  251   HD22  LEU   6          HD22      LEU   6  -1.725  -9.353   6.921
  252   HD23  LEU   6          HD23      LEU   6  -2.867  -8.533   7.986
  253    H    CYS   7           HN       CYS   7  -3.276  -6.608   1.923
  254    HA   CYS   7           HA       CYS   7  -4.198  -4.445   3.483
  255    HB2  CYS   7           HB2      CYS   7  -3.336  -4.735   0.625
  256    HB3  CYS   7           HB1      CYS   7  -4.042  -3.221   1.181
  257    H    CYS   8           HN       CYS   8  -5.792  -6.640   1.445
  258    HA   CYS   8           HA       CYS   8  -8.170  -4.922   1.233
  259    HB2  CYS   8           HB2      CYS   8  -7.106  -6.192  -0.777
  260    HB3  CYS   8           HB1      CYS   8  -7.822  -7.629  -0.059
  261    H    THR   9           HN       THR   9  -6.959  -8.001   2.460
  262    HA   THR   9           HA       THR   9  -9.422  -9.000   3.437
  263    HB   THR   9           HB       THR   9  -6.978  -9.814   4.867
  264    HG1  THR   9           HG1      THR   9  -6.252 -10.959   2.921
  265   HG21  THR   9          HG21      THR   9  -9.081 -11.063   5.009
  266   HG22  THR   9          HG22      THR   9  -7.799 -12.045   4.300
  267   HG23  THR   9          HG23      THR   9  -9.039 -11.333   3.267
  268    H    ASP  10           HN       ASP  10  -6.715  -7.338   5.043
  269    HA   ASP  10           HA       ASP  10  -8.478  -6.832   7.358
  270    HB2  ASP  10           HB2      ASP  10  -6.535  -8.239   7.901
  271    HB3  ASP  10           HB1      ASP  10  -5.459  -7.009   7.253
  272    H    GLY  11           HN       GLY  11  -5.906  -5.448   5.342
  273    HA2  GLY  11           HA2      GLY  11  -6.238  -3.200   4.456
  274    HA3  GLY  11           HA1      GLY  11  -6.984  -2.775   5.990
  275    H    CYS  12           HN       CYS  12  -4.581  -1.742   4.440
  276    HA   CYS  12           HA       CYS  12  -2.662  -1.915   6.671
  277    HB2  CYS  12           HB2      CYS  12  -0.904  -1.444   4.885
  278    HB3  CYS  12           HB1      CYS  12  -1.625  -3.051   4.869
  279    H    SER  13           HN       SER  13  -1.248   0.017   6.876
  280    HA   SER  13           HA       SER  13  -2.790   2.439   6.218
  281    HB2  SER  13           HB2      SER  13  -1.733   3.478   8.149
  282    HB3  SER  13           HB1      SER  13  -2.454   1.947   8.641
  283    HG   SER  13           HG       SER  13  -0.279   1.030   8.310
  284    H    MET  14           HN       MET  14  -1.202   4.443   6.209
  285    HA   MET  14           HA       MET  14   0.368   4.254   3.906
  286    HB2  MET  14           HB2      MET  14  -0.634   6.334   5.055
  287    HB3  MET  14           HB1      MET  14   0.827   6.332   6.026
  288    HG2  MET  14           HG2      MET  14   2.191   6.554   4.038
  289    HG3  MET  14           HG1      MET  14   0.754   6.479   3.020
  290    HE1  MET  14           HE1      MET  14   3.014   8.789   2.938
  291    HE2  MET  14           HE2      MET  14   1.994  10.213   2.724
  292    HE3  MET  14           HE3      MET  14   1.637   8.730   1.837
  293    H    THR  15           HN       THR  15   1.123   3.951   7.264
  294    HA   THR  15           HA       THR  15   3.898   4.080   7.240
  295    HB   THR  15           HB       THR  15   2.868   2.053   9.063
  296    HG1  THR  15           HG1      THR  15   0.954   2.981   9.274
  297   HG21  THR  15          HG21      THR  15   4.942   3.320   9.418
  298   HG22  THR  15          HG22      THR  15   3.801   3.579  10.738
  299   HG23  THR  15          HG23      THR  15   4.013   4.817   9.500
  300    H    ASP  16           HN       ASP  16   1.791   1.215   6.920
  301    HA   ASP  16           HA       ASP  16   3.817  -0.694   6.627
  302    HB2  ASP  16           HB2      ASP  16   1.111  -0.831   5.289
  303    HB3  ASP  16           HB1      ASP  16   2.130  -2.176   5.786
  304    H    LEU  17           HN       LEU  17   2.108   1.264   4.240
  305    HA   LEU  17           HA       LEU  17   3.299   0.098   1.954
  306    HB2  LEU  17           HB2      LEU  17   1.830   2.637   2.516
  307    HB3  LEU  17           HB1      LEU  17   2.691   2.488   0.998
  308    HG   LEU  17           HG       LEU  17   1.365   0.342   0.624
  309   HD11  LEU  17          HD11      LEU  17  -0.760   0.162   1.802
  310   HD12  LEU  17          HD12      LEU  17  -0.320   1.531   2.823
  311   HD13  LEU  17          HD13      LEU  17   0.596   0.027   2.921
  312   HD21  LEU  17          HD21      LEU  17  -0.070   2.985   0.732
  313   HD22  LEU  17          HD22      LEU  17  -0.590   1.574  -0.189
  314   HD23  LEU  17          HD23      LEU  17   0.924   2.383  -0.595
  315    H    SER  18           HN       SER  18   4.172   2.892   3.942
  316    HA   SER  18           HA       SER  18   6.315   3.792   2.327
  317    HB2  SER  18           HB2      SER  18   5.956   4.168   5.311
  318    HB3  SER  18           HB1      SER  18   6.952   5.151   4.238
  319    HG   SER  18           HG       SER  18   4.124   4.873   4.130
  320    H    ALA  19           HN       ALA  19   6.029   1.163   4.540
  321    HA   ALA  19           HA       ALA  19   8.743   0.892   5.280
  322    HB1  ALA  19           HB1      ALA  19   6.939  -0.256   6.465
  323    HB2  ALA  19           HB2      ALA  19   8.161  -1.397   5.902
  324    HB3  ALA  19           HB3      ALA  19   6.629  -1.248   5.040
  325    H    LEU  20           HN       LEU  20   7.017   0.169   2.378
  326    HA   LEU  20           HA       LEU  20   9.165  -1.514   1.338
  327    HB2  LEU  20           HB2      LEU  20   6.471  -0.704   0.257
  328    HB3  LEU  20           HB1      LEU  20   7.656  -1.540  -0.726
  329    HG   LEU  20           HG       LEU  20   7.611  -3.295   1.222
  330   HD11  LEU  20          HD11      LEU  20   6.183  -1.923   2.685
  331   HD12  LEU  20          HD12      LEU  20   5.474  -3.494   2.313
  332   HD13  LEU  20          HD13      LEU  20   4.886  -2.046   1.496
  333   HD21  LEU  20          HD21      LEU  20   5.824  -4.498   0.054
  334   HD22  LEU  20          HD22      LEU  20   6.959  -3.753  -1.072
  335   HD23  LEU  20          HD23      LEU  20   5.384  -3.012  -0.789
  336    H    CYS  21           HN       CYS  21   8.382   1.702   1.574
  337    HA   CYS  21           HA       CYS  21   9.548   2.519  -0.959
  338    HB2  CYS  21           HB2      CYS  21   8.263   4.013   1.324
  339    HB3  CYS  21           HB1      CYS  21   9.059   4.843  -0.004
  340    HN1  NH2  22           H1       NH2  22  11.533   1.316  -0.051
  341    HN2  NH2  22           H2       NH2  22  12.691   2.299   0.775
  Start of MODEL    7
    1    H1   LYS   1           HN       LYS   1  -5.153   0.601  13.667
    2    HA   LYS   1           HA       LYS   1  -3.702   2.382  12.042
    3    HB2  LYS   1           HB2      LYS   1  -2.757   0.861  10.403
    4    HB3  LYS   1           HB1      LYS   1  -2.086   0.497  11.985
    5    HG2  LYS   1           HG2      LYS   1  -3.007  -1.562  12.051
    6    HG3  LYS   1           HG1      LYS   1  -4.484  -1.045  11.236
    7    HD2  LYS   1           HD2      LYS   1  -3.232  -0.975   9.101
    8    HD3  LYS   1           HD1      LYS   1  -1.810  -1.591   9.942
    9    HE2  LYS   1           HE2      LYS   1  -2.814  -3.675  10.338
   10    HE3  LYS   1           HE1      LYS   1  -4.429  -3.060   9.989
   11    HZ1  LYS   1           HZ1      LYS   1  -2.292  -3.205   7.933
   12    HZ2  LYS   1           HZ2      LYS   1  -3.956  -2.965   7.700
   13    HZ3  LYS   1           HZ3      LYS   1  -3.391  -4.477   8.211
   14    H    GLU   2           HN       GLU   2  -4.688   2.632   9.923
   15    HA   GLU   2           HA       GLU   2  -7.478   1.880   9.965
   16    HB2  GLU   2           HB2      GLU   2  -7.798   3.420   8.227
   17    HB3  GLU   2           HB1      GLU   2  -6.510   4.143   9.175
   18    HG2  GLU   2           HG2      GLU   2  -5.875   2.433   6.807
   19    HG3  GLU   2           HG1      GLU   2  -6.345   4.117   6.600
   20    H    SER   3           HN       SER   3  -8.414   0.994   7.802
   21    HA   SER   3           HA       SER   3  -6.529  -0.899   6.624
   22    HB2  SER   3           HB2      SER   3  -8.376  -2.663   6.821
   23    HB3  SER   3           HB1      SER   3  -7.498  -2.250   8.290
   24    HG   SER   3           HG       SER   3  -9.251  -1.410   9.117
   25    H    VAL   4           HN       VAL   4  -6.512  -0.295   4.560
   26    HA   VAL   4           HA       VAL   4  -9.098   0.213   3.248
   27    HB   VAL   4           HB       VAL   4  -7.762   1.223   1.394
   28   HG11  VAL   4          HG11      VAL   4  -7.228   3.305   2.581
   29   HG12  VAL   4          HG12      VAL   4  -7.370   2.454   4.119
   30   HG13  VAL   4          HG13      VAL   4  -8.783   2.638   3.079
   31   HG21  VAL   4          HG21      VAL   4  -5.430   1.819   1.777
   32   HG22  VAL   4          HG22      VAL   4  -5.642   0.069   1.813
   33   HG23  VAL   4          HG23      VAL   4  -5.453   0.965   3.320
   34    H    ARG   5           HN       ARG   5  -9.643  -0.866   1.371
   35    HA   ARG   5           HA       ARG   5  -8.325  -3.450   1.126
   36    HB2  ARG   5           HB2      ARG   5 -11.040  -2.410   0.518
   37    HB3  ARG   5           HB1      ARG   5 -10.445  -3.742  -0.465
   38    HG2  ARG   5           HG2      ARG   5 -11.681  -4.673   1.335
   39    HG3  ARG   5           HG1      ARG   5  -9.975  -4.987   1.644
   40    HD2  ARG   5           HD2      ARG   5 -10.088  -2.794   3.026
   41    HD3  ARG   5           HD1      ARG   5 -11.827  -3.083   3.014
   42    HE   ARG   5           HE       ARG   5 -10.690  -5.460   3.803
   43   HH11  ARG   5          HH11      ARG   5 -10.730  -2.166   4.990
   44   HH12  ARG   5          HH12      ARG   5 -10.471  -2.620   6.643
   45   HH21  ARG   5          HH21      ARG   5 -10.358  -6.067   5.983
   46   HH22  ARG   5          HH22      ARG   5 -10.249  -4.837   7.202
   47    H    LEU   6           HN       LEU   6  -6.510  -2.905  -0.030
   48    HA   LEU   6           HA       LEU   6  -6.949  -1.970  -2.785
   49    HB2  LEU   6           HB2      LEU   6  -4.374  -2.059  -1.211
   50    HB3  LEU   6           HB1      LEU   6  -4.588  -1.394  -2.818
   51    HG   LEU   6           HG       LEU   6  -5.955  -0.294  -0.364
   52   HD11  LEU   6          HD11      LEU   6  -3.532  -0.090  -0.142
   53   HD12  LEU   6          HD12      LEU   6  -4.286   1.481  -0.413
   54   HD13  LEU   6          HD13      LEU   6  -3.447   0.667  -1.733
   55   HD21  LEU   6          HD21      LEU   6  -7.073   0.210  -2.475
   56   HD22  LEU   6          HD22      LEU   6  -5.561   0.835  -3.134
   57   HD23  LEU   6          HD23      LEU   6  -6.340   1.657  -1.783
   58    H    CYS   7           HN       CYS   7  -7.301  -3.749  -3.976
   59    HA   CYS   7           HA       CYS   7  -5.866  -6.204  -3.409
   60    HB2  CYS   7           HB2      CYS   7  -8.103  -5.486  -5.282
   61    HB3  CYS   7           HB1      CYS   7  -7.268  -7.035  -5.396
   62    H    GLY   8           HN       GLY   8  -3.912  -6.482  -4.167
   63    HA2  GLY   8           HA2      GLY   8  -2.061  -6.474  -5.520
   64    HA3  GLY   8           HA1      GLY   8  -3.208  -6.770  -6.810
   65    H    LEU   9           HN       LEU   9  -3.607  -5.231  -8.264
   66    HA   LEU   9           HA       LEU   9  -1.777  -3.297  -8.872
   67    HB2  LEU   9           HB2      LEU   9  -3.479  -4.152 -10.418
   68    HB3  LEU   9           HB1      LEU   9  -4.717  -3.273  -9.542
   69    HG   LEU   9           HG       LEU   9  -3.526  -1.146 -10.153
   70   HD11  LEU   9          HD11      LEU   9  -1.958  -1.245 -12.044
   71   HD12  LEU   9          HD12      LEU   9  -1.965  -3.005 -11.939
   72   HD13  LEU   9          HD13      LEU   9  -1.325  -2.045 -10.606
   73   HD21  LEU   9          HD21      LEU   9  -4.507  -2.880 -12.416
   74   HD22  LEU   9          HD22      LEU   9  -4.362  -1.123 -12.454
   75   HD23  LEU   9          HD23      LEU   9  -5.506  -1.889 -11.353
   76    H    GLU  10           HN       GLU  10  -4.796  -2.844  -7.067
   77    HA   GLU  10           HA       GLU  10  -4.642  -0.066  -6.820
   78    HB2  GLU  10           HB2      GLU  10  -5.907  -2.093  -4.973
   79    HB3  GLU  10           HB1      GLU  10  -6.194  -0.357  -4.909
   80    HG2  GLU  10           HG2      GLU  10  -6.925  -2.268  -7.108
   81    HG3  GLU  10           HG1      GLU  10  -8.004  -1.305  -6.097
   82    H    TYR  11           HN       TYR  11  -3.277  -2.621  -4.796
   83    HA   TYR  11           HA       TYR  11  -2.291  -0.847  -2.795
   84    HB2  TYR  11           HB2      TYR  11  -2.625  -3.242  -2.332
   85    HB3  TYR  11           HB1      TYR  11  -1.392  -3.649  -3.521
   86    HD1  TYR  11           HD1      TYR  11  -1.749  -1.480  -0.495
   87    HD2  TYR  11           HD2      TYR  11   0.702  -4.167  -2.699
   88    HE1  TYR  11           HE1      TYR  11  -0.033  -1.343   1.258
   89    HE2  TYR  11           HE2      TYR  11   2.425  -4.040  -0.951
   90    HH   TYR  11           HH       TYR  11   3.131  -2.536   0.827
   91    H    ILE  12           HN       ILE  12  -0.931  -2.422  -5.629
   92    HA   ILE  12           HA       ILE  12   1.706  -1.550  -5.443
   93    HB   ILE  12           HB       ILE  12   0.025  -2.112  -7.891
   94   HG12  ILE  12          HG12      ILE  12   2.137  -3.875  -6.670
   95   HG13  ILE  12          HG11      ILE  12   0.460  -3.931  -6.131
   96   HG21  ILE  12          HG21      ILE  12   1.938  -0.740  -8.509
   97   HG22  ILE  12          HG22      ILE  12   2.141  -2.391  -9.097
   98   HG23  ILE  12          HG23      ILE  12   3.022  -1.849  -7.669
   99   HD11  ILE  12          HD11      ILE  12   0.931  -5.662  -7.769
  100   HD12  ILE  12          HD12      ILE  12   1.422  -4.434  -8.936
  101   HD13  ILE  12          HD13      ILE  12  -0.251  -4.506  -8.384
  102    H    ARG  13           HN       ARG  13  -1.068  -0.040  -7.084
  103    HA   ARG  13           HA       ARG  13   0.288   2.173  -8.141
  104    HB2  ARG  13           HB2      ARG  13  -2.602   1.935  -7.287
  105    HB3  ARG  13           HB1      ARG  13  -1.951   3.249  -8.255
  106    HG2  ARG  13           HG2      ARG  13  -1.235   1.474  -9.920
  107    HG3  ARG  13           HG1      ARG  13  -2.250   0.359  -9.005
  108    HD2  ARG  13           HD2      ARG  13  -3.147   2.906 -10.349
  109    HD3  ARG  13           HD1      ARG  13  -3.459   1.267 -10.911
  110    HE   ARG  13           HE       ARG  13  -4.948   0.948  -9.054
  111   HH11  ARG  13          HH11      ARG  13  -3.785   4.240  -9.443
  112   HH12  ARG  13          HH12      ARG  13  -5.120   4.949  -8.604
  113   HH21  ARG  13          HH21      ARG  13  -6.733   1.888  -7.965
  114   HH22  ARG  13          HH22      ARG  13  -6.791   3.614  -7.759
  115    H    THR  14           HN       THR  14  -1.231   1.684  -4.999
  116    HA   THR  14           HA       THR  14  -0.934   4.367  -4.119
  117    HB   THR  14           HB       THR  14  -1.166   1.888  -2.402
  118    HG1  THR  14           HG1      THR  14  -2.942   1.839  -3.713
  119   HG21  THR  14          HG21      THR  14  -0.552   3.927  -1.179
  120   HG22  THR  14          HG22      THR  14  -2.190   3.410  -0.780
  121   HG23  THR  14          HG23      THR  14  -1.937   4.764  -1.881
  122    H    VAL  15           HN       VAL  15   1.024   1.438  -3.757
  123    HA   VAL  15           HA       VAL  15   2.937   2.512  -1.988
  124    HB   VAL  15           HB       VAL  15   3.193   0.251  -3.978
  125   HG11  VAL  15          HG11      VAL  15   5.173  -0.444  -2.736
  126   HG12  VAL  15          HG12      VAL  15   5.040   0.980  -1.704
  127   HG13  VAL  15          HG13      VAL  15   5.400   1.165  -3.421
  128   HG21  VAL  15          HG21      VAL  15   2.755   0.227  -0.996
  129   HG22  VAL  15          HG22      VAL  15   2.890  -1.186  -2.042
  130   HG23  VAL  15          HG23      VAL  15   1.521  -0.087  -2.215
  131    H    ILE  16           HN       ILE  16   3.104   2.054  -5.536
  132    HA   ILE  16           HA       ILE  16   5.610   3.270  -5.850
  133    HB   ILE  16           HB       ILE  16   5.056   3.537  -8.228
  134   HG12  ILE  16          HG12      ILE  16   2.309   2.557  -7.414
  135   HG13  ILE  16          HG11      ILE  16   2.693   4.170  -8.004
  136   HG21  ILE  16          HG21      ILE  16   4.705   1.154  -8.717
  137   HG22  ILE  16          HG22      ILE  16   4.240   0.891  -7.036
  138   HG23  ILE  16          HG23      ILE  16   5.881   1.406  -7.427
  139   HD11  ILE  16          HD11      ILE  16   3.391   3.173 -10.151
  140   HD12  ILE  16          HD12      ILE  16   1.696   2.879  -9.763
  141   HD13  ILE  16          HD13      ILE  16   2.885   1.595  -9.548
  142    H    TYR  17           HN       TYR  17   2.409   4.661  -5.617
  143    HA   TYR  17           HA       TYR  17   3.028   7.229  -6.603
  144    HB2  TYR  17           HB2      TYR  17   0.715   6.357  -6.260
  145    HB3  TYR  17           HB1      TYR  17   0.954   6.500  -4.523
  146    HD1  TYR  17           HD2      TYR  17   0.832   8.468  -7.669
  147    HD2  TYR  17           HD1      TYR  17   0.558   8.543  -3.424
  148    HE1  TYR  17           HE2      TYR  17   0.056  10.799  -7.767
  149    HE2  TYR  17           HE1      TYR  17  -0.220  10.874  -3.510
  150    HH   TYR  17           HH       TYR  17  -0.040  12.818  -5.096
  151    H    ILE  18           HN       ILE  18   2.794   6.036  -3.246
  152    HA   ILE  18           HA       ILE  18   3.786   8.439  -2.108
  153    HB   ILE  18           HB       ILE  18   3.554   5.653  -0.969
  154   HG12  ILE  18          HG12      ILE  18   1.914   8.181  -0.729
  155   HG13  ILE  18          HG11      ILE  18   1.412   6.637  -1.407
  156   HG21  ILE  18          HG21      ILE  18   4.288   8.203   0.470
  157   HG22  ILE  18          HG22      ILE  18   5.354   6.827   0.184
  158   HG23  ILE  18          HG23      ILE  18   3.948   6.651   1.234
  159   HD11  ILE  18          HD11      ILE  18   0.393   6.896   0.730
  160   HD12  ILE  18          HD12      ILE  18   1.942   7.273   1.483
  161   HD13  ILE  18          HD13      ILE  18   1.634   5.650   0.866
  162    H    CYS  19           HN       CYS  19   5.309   5.369  -2.999
  163    HA   CYS  19           HA       CYS  19   7.841   5.810  -1.929
  164    HB2  CYS  19           HB2      CYS  19   6.774   4.169  -4.176
  165    HB3  CYS  19           HB1      CYS  19   8.515   4.396  -4.088
  166    H    ALA  20           HN       ALA  20   6.527   6.777  -5.094
  167    HA   ALA  20           HA       ALA  20   8.967   7.964  -5.973
  168    HB1  ALA  20           HB1      ALA  20   7.649   8.909  -7.793
  169    HB2  ALA  20           HB2      ALA  20   6.162   8.418  -6.980
  170    HB3  ALA  20           HB3      ALA  20   7.289   7.196  -7.570
  171    H    SER  21           HN       SER  21   6.000   9.235  -4.500
  172    HA   SER  21           HA       SER  21   6.599  11.954  -4.699
  173    HB2  SER  21           HB2      SER  21   5.065  10.549  -2.508
  174    HB3  SER  21           HB1      SER  21   5.000  12.273  -2.871
  175    HG   SER  21           HG       SER  21   4.098  10.104  -4.460
  176    H    SER  22           HN       SER  22   7.547   9.587  -2.250
  177    HA   SER  22           HA       SER  22   8.792  11.500  -0.532
  178    HB2  SER  22           HB2      SER  22   9.337   8.527  -0.643
  179    HB3  SER  22           HB1      SER  22   9.547   9.609   0.735
  180    HG   SER  22           HG       SER  22   7.167   8.617  -0.408
  181    H    ARG  23           HN       ARG  23   9.644  10.091  -3.466
  182    HA   ARG  23           HA       ARG  23  12.517  10.331  -3.057
  183    HB2  ARG  23           HB2      ARG  23  12.027   8.407  -4.290
  184    HB3  ARG  23           HB1      ARG  23  10.759   9.200  -5.211
  185    HG2  ARG  23           HG2      ARG  23  12.462   8.900  -6.755
  186    HG3  ARG  23           HG1      ARG  23  12.647  10.580  -6.257
  187    HD2  ARG  23           HD2      ARG  23  14.196   8.339  -4.980
  188    HD3  ARG  23           HD1      ARG  23  14.776   9.199  -6.406
  189    HE   ARG  23           HE       ARG  23  14.233  11.210  -4.693
  190   HH11  ARG  23          HH11      ARG  23  16.099   8.264  -4.350
  191   HH12  ARG  23          HH12      ARG  23  17.177   8.931  -3.171
  192   HH21  ARG  23          HH21      ARG  23  15.639  12.093  -3.141
  193   HH22  ARG  23          HH22      ARG  23  16.915  11.124  -2.478
  194    H    TRP  24           HN       TRP  24   9.871  11.837  -4.824
  195    HA   TRP  24           HA       TRP  24  11.618  13.674  -6.203
  196    HB2  TRP  24           HB2      TRP  24   8.601  13.596  -5.995
  197    HB3  TRP  24           HB1      TRP  24   9.514  14.668  -7.051
  198    HD1  TRP  24           HD1      TRP  24   7.629  11.629  -7.287
  199    HE1  TRP  24           HE1      TRP  24   8.340  10.188  -9.295
  200    HE3  TRP  24           HE3      TRP  24  12.109  13.841  -8.326
  201    HZ2  TRP  24           HZ2      TRP  24  10.517  10.009 -11.081
  202    HZ3  TRP  24           HZ3      TRP  24  13.451  12.978 -10.198
  203    HH2  TRP  24           HH2      TRP  24  12.669  11.098 -11.547
  204    HN1  NH2  25           H1       NH2  25   9.270  13.864  -3.567
  205    HN2  NH2  25           H2       NH2  25   9.805  15.393  -2.966
  206    H1   PCA   1           HN       PCA   1  -2.446 -13.074   3.476
  207    HA   PCA   1           HA       PCA   1  -0.406 -13.998   4.686
  208    HB2  PCA   1           HB2      PCA   1   0.598 -15.290   2.300
  209    HB3  PCA   1           HB1      PCA   1   0.215 -16.019   3.874
  210    HG2  PCA   1           HG2      PCA   1  -1.292 -16.194   1.450
  211    HG3  PCA   1           HG1      PCA   1  -1.683 -16.888   3.042
  212    H    ASP   2           HN       ASP   2  -0.601 -13.230   1.239
  213    HA   ASP   2           HA       ASP   2   1.806 -11.689   1.254
  214    HB2  ASP   2           HB2      ASP   2   1.530 -12.481  -0.867
  215    HB3  ASP   2           HB1      ASP   2  -0.224 -12.462  -0.753
  216    H    LEU   3           HN       LEU   3   1.956  -9.390   0.897
  217    HA   LEU   3           HA       LEU   3   0.391  -7.891   2.647
  218    HB2  LEU   3           HB2      LEU   3   2.506  -7.360   0.722
  219    HB3  LEU   3           HB1      LEU   3   1.363  -6.035   0.833
  220    HG   LEU   3           HG       LEU   3   2.885  -7.229   3.154
  221   HD11  LEU   3          HD11      LEU   3   4.118  -5.140   3.169
  222   HD12  LEU   3          HD12      LEU   3   3.215  -4.576   1.763
  223   HD13  LEU   3          HD13      LEU   3   4.306  -5.955   1.615
  224   HD21  LEU   3          HD21      LEU   3   0.778  -6.409   3.936
  225   HD22  LEU   3          HD22      LEU   3   0.942  -4.931   2.989
  226   HD23  LEU   3          HD23      LEU   3   2.012  -5.223   4.360
  227    H    GLN   4           HN       GLN   4   0.243  -7.994  -0.915
  228    HA   GLN   4           HA       GLN   4  -1.933  -6.205  -1.165
  229    HB2  GLN   4           HB2      GLN   4  -1.375  -8.476  -3.067
  230    HB3  GLN   4           HB1      GLN   4  -2.068  -6.902  -3.428
  231    HG2  GLN   4           HG2      GLN   4  -0.038  -5.851  -3.427
  232    HG3  GLN   4           HG1      GLN   4   0.701  -7.036  -2.351
  233   HE21  GLN   4          HE21      GLN   4   1.357  -9.045  -3.205
  234   HE22  GLN   4          HE22      GLN   4   1.677  -9.221  -4.898
  235    H    THR   5           HN       THR   5  -1.695  -9.694  -0.949
  236    HA   THR   5           HA       THR   5  -4.374 -10.386  -1.240
  237    HB   THR   5           HB       THR   5  -2.213 -11.730   0.420
  238    HG1  THR   5           HG1      THR   5  -1.736 -11.460  -1.841
  239   HG21  THR   5          HG21      THR   5  -3.544 -13.772   0.146
  240   HG22  THR   5          HG22      THR   5  -4.795 -12.859  -0.697
  241   HG23  THR   5          HG23      THR   5  -4.466 -12.538   1.006
  242    H    LEU   6           HN       LEU   6  -2.541  -9.523   1.678
  243    HA   LEU   6           HA       LEU   6  -4.779  -9.886   3.421
  244    HB2  LEU   6           HB2      LEU   6  -2.043  -9.538   3.756
  245    HB3  LEU   6           HB1      LEU   6  -2.750  -8.094   4.444
  246    HG   LEU   6           HG       LEU   6  -4.214  -9.579   5.845
  247   HD11  LEU   6          HD11      LEU   6  -4.073 -11.593   4.482
  248   HD12  LEU   6          HD12      LEU   6  -3.533 -11.903   6.131
  249   HD13  LEU   6          HD13      LEU   6  -2.350 -11.721   4.836
  250   HD21  LEU   6          HD21      LEU   6  -1.231  -9.854   6.186
  251   HD22  LEU   6          HD22      LEU   6  -2.440 -10.126   7.441
  252   HD23  LEU   6          HD23      LEU   6  -2.226  -8.515   6.758
  253    H    CYS   7           HN       CYS   7  -3.636  -7.314   1.415
  254    HA   CYS   7           HA       CYS   7  -4.800  -5.138   2.772
  255    HB2  CYS   7           HB2      CYS   7  -4.066  -5.601  -0.107
  256    HB3  CYS   7           HB1      CYS   7  -4.850  -4.111   0.406
  257    H    CYS   8           HN       CYS   8  -6.134  -7.592   0.705
  258    HA   CYS   8           HA       CYS   8  -8.652  -6.191   0.402
  259    HB2  CYS   8           HB2      CYS   8  -8.003  -9.041  -0.362
  260    HB3  CYS   8           HB1      CYS   8  -9.332  -8.055  -0.960
  261    H    THR   9           HN       THR   9  -7.202  -8.432   2.567
  262    HA   THR   9           HA       THR   9  -9.796  -9.228   3.678
  263    HB   THR   9           HB       THR   9  -8.127 -10.667   5.154
  264    HG1  THR   9           HG1      THR   9  -6.608 -10.736   2.811
  265   HG21  THR   9          HG21      THR   9  -9.806 -11.599   3.646
  266   HG22  THR   9          HG22      THR   9  -8.279 -12.467   3.488
  267   HG23  THR   9          HG23      THR   9  -8.753 -11.288   2.266
  268    H    ASP  10           HN       ASP  10  -6.640  -8.640   5.194
  269    HA   ASP  10           HA       ASP  10  -7.731  -7.614   7.607
  270    HB2  ASP  10           HB2      ASP  10  -5.602  -8.530   7.879
  271    HB3  ASP  10           HB1      ASP  10  -4.994  -7.806   6.399
  272    H    GLY  11           HN       GLY  11  -6.240  -6.119   4.784
  273    HA2  GLY  11           HA2      GLY  11  -6.792  -4.016   3.891
  274    HA3  GLY  11           HA1      GLY  11  -7.602  -3.612   5.400
  275    H    CYS  12           HN       CYS  12  -4.732  -3.392   3.600
  276    HA   CYS  12           HA       CYS  12  -2.934  -2.925   5.742
  277    HB2  CYS  12           HB2      CYS  12  -1.567  -1.847   3.807
  278    HB3  CYS  12           HB1      CYS  12  -1.862  -3.583   3.794
  279    H    SER  13           HN       SER  13  -1.892  -0.995   6.275
  280    HA   SER  13           HA       SER  13  -3.609   1.382   6.058
  281    HB2  SER  13           HB2      SER  13  -3.325   0.957   8.340
  282    HB3  SER  13           HB1      SER  13  -1.689   0.343   8.125
  283    HG   SER  13           HG       SER  13  -2.614   2.992   8.335
  284    H    MET  14           HN       MET  14  -2.434   3.479   5.897
  285    HA   MET  14           HA       MET  14  -0.657   3.550   3.733
  286    HB2  MET  14           HB2      MET  14  -2.041   5.461   4.657
  287    HB3  MET  14           HB1      MET  14  -0.833   5.629   5.916
  288    HG2  MET  14           HG2      MET  14   0.870   6.075   4.222
  289    HG3  MET  14           HG1      MET  14  -0.349   5.919   2.960
  290    HE1  MET  14           HE1      MET  14  -0.250   9.294   6.107
  291    HE2  MET  14           HE2      MET  14   0.883   7.944   6.042
  292    HE3  MET  14           HE3      MET  14  -0.794   7.667   6.513
  293    H    THR  15           HN       THR  15  -0.198   3.407   7.146
  294    HA   THR  15           HA       THR  15   2.554   3.880   7.333
  295    HB   THR  15           HB       THR  15   1.292   1.882   9.151
  296    HG1  THR  15           HG1      THR  15  -0.431   3.195   9.131
  297   HG21  THR  15          HG21      THR  15   2.433   3.218  10.855
  298   HG22  THR  15          HG22      THR  15   2.923   4.382   9.624
  299   HG23  THR  15          HG23      THR  15   3.554   2.736   9.582
  300    H    ASP  16           HN       ASP  16   0.753   0.850   6.889
  301    HA   ASP  16           HA       ASP  16   2.875  -0.946   7.015
  302    HB2  ASP  16           HB2      ASP  16   0.510  -1.290   5.163
  303    HB3  ASP  16           HB1      ASP  16   1.470  -2.547   5.926
  304    H    LEU  17           HN       LEU  17   1.467   0.661   4.162
  305    HA   LEU  17           HA       LEU  17   3.403  -0.477   2.398
  306    HB2  LEU  17           HB2      LEU  17   2.533   1.265   0.770
  307    HB3  LEU  17           HB1      LEU  17   1.402   0.062   1.345
  308    HG   LEU  17           HG       LEU  17   1.101   2.208   3.103
  309   HD11  LEU  17          HD11      LEU  17   2.348   3.643   1.609
  310   HD12  LEU  17          HD12      LEU  17   0.640   4.083   1.592
  311   HD13  LEU  17          HD13      LEU  17   1.326   3.160   0.255
  312   HD21  LEU  17          HD21      LEU  17  -0.683   0.767   2.351
  313   HD22  LEU  17          HD22      LEU  17  -0.506   1.356   0.698
  314   HD23  LEU  17          HD23      LEU  17  -1.084   2.440   1.962
  315    H    SER  18           HN       SER  18   3.349   2.374   4.384
  316    HA   SER  18           HA       SER  18   5.395   3.797   3.010
  317    HB2  SER  18           HB2      SER  18   4.539   3.909   5.917
  318    HB3  SER  18           HB1      SER  18   5.662   5.040   5.162
  319    HG   SER  18           HG       SER  18   2.944   4.604   4.451
  320    H    ALA  19           HN       ALA  19   5.354   1.241   5.397
  321    HA   ALA  19           HA       ALA  19   8.122   1.347   6.057
  322    HB1  ALA  19           HB1      ALA  19   6.182  -0.959   6.263
  323    HB2  ALA  19           HB2      ALA  19   6.486   0.250   7.511
  324    HB3  ALA  19           HB3      ALA  19   7.765  -0.868   7.037
  325    H    LEU  20           HN       LEU  20   6.295   0.109   3.439
  326    HA   LEU  20           HA       LEU  20   8.370  -1.656   2.456
  327    HB2  LEU  20           HB2      LEU  20   5.827  -1.964   2.193
  328    HB3  LEU  20           HB1      LEU  20   5.927  -0.726   0.957
  329    HG   LEU  20           HG       LEU  20   7.657  -2.231  -0.182
  330   HD11  LEU  20          HD11      LEU  20   7.428  -4.628   0.350
  331   HD12  LEU  20          HD12      LEU  20   6.452  -4.199   1.755
  332   HD13  LEU  20          HD13      LEU  20   8.141  -3.700   1.669
  333   HD21  LEU  20          HD21      LEU  20   5.920  -3.554  -1.261
  334   HD22  LEU  20          HD22      LEU  20   5.375  -1.897  -1.005
  335   HD23  LEU  20          HD23      LEU  20   4.806  -3.187   0.055
  336    H    CYS  21           HN       CYS  21   7.412   1.606   2.227
  337    HA   CYS  21           HA       CYS  21   8.813   2.135  -0.257
  338    HB2  CYS  21           HB2      CYS  21   7.006   3.648   1.555
  339    HB3  CYS  21           HB1      CYS  21   8.160   4.588   0.622
  340    HN1  NH2  22           H1       NH2  22  10.729   1.171   1.065
  341    HN2  NH2  22           H2       NH2  22  11.755   2.338   1.822
  Start of MODEL    8
    1    H1   LYS   1           HN       LYS   1  -5.517   1.151  13.288
    2    HA   LYS   1           HA       LYS   1  -3.270   2.265  12.097
    3    HB2  LYS   1           HB2      LYS   1  -2.592   0.479  10.533
    4    HB3  LYS   1           HB1      LYS   1  -2.264   0.047  12.206
    5    HG2  LYS   1           HG2      LYS   1  -4.017  -1.505  12.268
    6    HG3  LYS   1           HG1      LYS   1  -4.765  -0.848  10.811
    7    HD2  LYS   1           HD2      LYS   1  -2.780  -1.608   9.519
    8    HD3  LYS   1           HD1      LYS   1  -2.167  -2.373  10.986
    9    HE2  LYS   1           HE2      LYS   1  -3.883  -3.953  11.023
   10    HE3  LYS   1           HE1      LYS   1  -4.904  -3.004   9.944
   11    HZ1  LYS   1           HZ1      LYS   1  -3.733  -5.053   9.006
   12    HZ2  LYS   1           HZ2      LYS   1  -2.328  -4.100   9.015
   13    HZ3  LYS   1           HZ3      LYS   1  -3.666  -3.620   8.100
   14    H    GLU   2           HN       GLU   2  -3.597   2.677   9.778
   15    HA   GLU   2           HA       GLU   2  -6.448   2.873   9.194
   16    HB2  GLU   2           HB2      GLU   2  -4.758   3.917   7.098
   17    HB3  GLU   2           HB1      GLU   2  -5.924   4.757   8.107
   18    HG2  GLU   2           HG2      GLU   2  -3.933   5.875   8.510
   19    HG3  GLU   2           HG1      GLU   2  -4.078   4.782   9.885
   20    H    SER   3           HN       SER   3  -6.464   0.477   8.989
   21    HA   SER   3           HA       SER   3  -5.174  -0.804   6.818
   22    HB2  SER   3           HB2      SER   3  -7.565  -2.178   7.634
   23    HB3  SER   3           HB1      SER   3  -5.881  -2.620   7.911
   24    HG   SER   3           HG       SER   3  -7.030  -2.294   9.870
   25    H    VAL   4           HN       VAL   4  -5.581   0.152   4.863
   26    HA   VAL   4           HA       VAL   4  -8.366   0.448   3.996
   27    HB   VAL   4           HB       VAL   4  -5.968   1.133   2.309
   28   HG11  VAL   4          HG11      VAL   4  -7.496   2.830   1.386
   29   HG12  VAL   4          HG12      VAL   4  -8.764   2.253   2.468
   30   HG13  VAL   4          HG13      VAL   4  -8.126   1.193   1.211
   31   HG21  VAL   4          HG21      VAL   4  -5.576   2.218   4.453
   32   HG22  VAL   4          HG22      VAL   4  -7.197   2.911   4.412
   33   HG23  VAL   4          HG23      VAL   4  -5.995   3.406   3.220
   34    H    ARG   5           HN       ARG   5  -8.930  -0.396   1.822
   35    HA   ARG   5           HA       ARG   5  -7.784  -3.074   1.560
   36    HB2  ARG   5           HB2      ARG   5 -10.481  -1.937   1.184
   37    HB3  ARG   5           HB1      ARG   5 -10.008  -3.186   0.038
   38    HG2  ARG   5           HG2      ARG   5 -11.160  -4.200   1.872
   39    HG3  ARG   5           HG1      ARG   5  -9.462  -4.664   1.936
   40    HD2  ARG   5           HD2      ARG   5  -9.110  -2.847   3.609
   41    HD3  ARG   5           HD1      ARG   5 -10.857  -2.602   3.628
   42    HE   ARG   5           HE       ARG   5 -10.387  -5.304   4.100
   43   HH11  ARG   5          HH11      ARG   5  -9.713  -2.246   5.677
   44   HH12  ARG   5          HH12      ARG   5  -9.744  -2.922   7.270
   45   HH21  ARG   5          HH21      ARG   5 -10.424  -6.193   6.196
   46   HH22  ARG   5          HH22      ARG   5 -10.138  -5.170   7.567
   47    H    LEU   6           HN       LEU   6  -5.993  -2.526   0.317
   48    HA   LEU   6           HA       LEU   6  -6.587  -1.634  -2.425
   49    HB2  LEU   6           HB2      LEU   6  -3.968  -1.679  -0.915
   50    HB3  LEU   6           HB1      LEU   6  -4.126  -1.275  -2.609
   51    HG   LEU   6           HG       LEU   6  -3.988   0.811  -1.675
   52   HD11  LEU   6          HD11      LEU   6  -6.944   0.256  -1.533
   53   HD12  LEU   6          HD12      LEU   6  -6.038   0.710  -2.976
   54   HD13  LEU   6          HD13      LEU   6  -6.190   1.847  -1.637
   55   HD21  LEU   6          HD21      LEU   6  -4.970   1.467   0.463
   56   HD22  LEU   6          HD22      LEU   6  -3.889   0.084   0.636
   57   HD23  LEU   6          HD23      LEU   6  -5.636  -0.156   0.652
   58    H    CYS   7           HN       CYS   7  -7.041  -3.419  -3.568
   59    HA   CYS   7           HA       CYS   7  -5.451  -5.831  -3.090
   60    HB2  CYS   7           HB2      CYS   7  -7.905  -5.703  -4.820
   61    HB3  CYS   7           HB1      CYS   7  -7.232  -7.084  -3.958
   62    H    GLY   8           HN       GLY   8  -3.795  -6.202  -4.355
   63    HA2  GLY   8           HA2      GLY   8  -2.430  -6.350  -6.184
   64    HA3  GLY   8           HA1      GLY   8  -3.904  -6.473  -7.126
   65    H    LEU   9           HN       LEU   9  -4.423  -4.867  -8.452
   66    HA   LEU   9           HA       LEU   9  -2.579  -2.963  -9.239
   67    HB2  LEU   9           HB2      LEU   9  -5.575  -2.920  -9.591
   68    HB3  LEU   9           HB1      LEU   9  -4.446  -1.916 -10.479
   69    HG   LEU   9           HG       LEU   9  -4.511  -4.933 -10.591
   70   HD11  LEU   9          HD11      LEU   9  -5.532  -2.888 -12.556
   71   HD12  LEU   9          HD12      LEU   9  -6.517  -3.975 -11.577
   72   HD13  LEU   9          HD13      LEU   9  -5.457  -4.629 -12.825
   73   HD21  LEU   9          HD21      LEU   9  -2.967  -2.885 -12.178
   74   HD22  LEU   9          HD22      LEU   9  -3.040  -4.608 -12.548
   75   HD23  LEU   9          HD23      LEU   9  -2.303  -4.060 -11.043
   76    H    GLU  10           HN       GLU  10  -5.308  -2.628  -7.019
   77    HA   GLU  10           HA       GLU  10  -5.125   0.160  -6.677
   78    HB2  GLU  10           HB2      GLU  10  -6.091  -1.831  -4.621
   79    HB3  GLU  10           HB1      GLU  10  -6.535  -0.136  -4.750
   80    HG2  GLU  10           HG2      GLU  10  -7.368  -2.433  -6.475
   81    HG3  GLU  10           HG1      GLU  10  -8.372  -1.273  -5.607
   82    H    TYR  11           HN       TYR  11  -3.548  -2.535  -5.072
   83    HA   TYR  11           HA       TYR  11  -2.303  -0.986  -3.027
   84    HB2  TYR  11           HB2      TYR  11  -2.670  -3.415  -2.797
   85    HB3  TYR  11           HB1      TYR  11  -1.562  -3.708  -4.132
   86    HD1  TYR  11           HD1      TYR  11  -1.719  -2.222  -0.724
   87    HD2  TYR  11           HD2      TYR  11   0.717  -4.018  -3.712
   88    HE1  TYR  11           HE1      TYR  11   0.151  -2.319   0.867
   89    HE2  TYR  11           HE2      TYR  11   2.595  -4.121  -2.127
   90    HH   TYR  11           HH       TYR  11   2.205  -3.540   1.219
   91    H    ILE  12           HN       ILE  12  -1.101  -2.486  -6.001
   92    HA   ILE  12           HA       ILE  12   1.506  -1.566  -5.961
   93    HB   ILE  12           HB       ILE  12  -0.282  -2.014  -8.356
   94   HG12  ILE  12          HG12      ILE  12   1.787  -3.892  -7.230
   95   HG13  ILE  12          HG11      ILE  12   0.112  -3.915  -6.686
   96   HG21  ILE  12          HG21      ILE  12   2.727  -1.868  -8.200
   97   HG22  ILE  12          HG22      ILE  12   1.665  -0.693  -8.975
   98   HG23  ILE  12          HG23      ILE  12   1.794  -2.328  -9.624
   99   HD11  ILE  12          HD11      ILE  12   1.081  -4.379  -9.494
  100   HD12  ILE  12          HD12      ILE  12  -0.608  -4.344  -8.990
  101   HD13  ILE  12          HD13      ILE  12   0.471  -5.597  -8.374
  102    H    ARG  13           HN       ARG  13  -1.356  -0.011  -7.372
  103    HA   ARG  13           HA       ARG  13  -0.098   2.221  -8.491
  104    HB2  ARG  13           HB2      ARG  13  -2.554   1.325  -8.649
  105    HB3  ARG  13           HB1      ARG  13  -2.836   2.411  -7.297
  106    HG2  ARG  13           HG2      ARG  13  -2.077   4.297  -8.629
  107    HG3  ARG  13           HG1      ARG  13  -1.737   3.216  -9.983
  108    HD2  ARG  13           HD2      ARG  13  -4.415   3.859  -8.764
  109    HD3  ARG  13           HD1      ARG  13  -3.854   4.237 -10.392
  110    HE   ARG  13           HE       ARG  13  -3.911   1.833 -10.850
  111   HH11  ARG  13          HH11      ARG  13  -5.710   2.992  -8.076
  112   HH12  ARG  13          HH12      ARG  13  -6.790   1.624  -8.036
  113   HH21  ARG  13          HH21      ARG  13  -5.351   0.042 -10.804
  114   HH22  ARG  13          HH22      ARG  13  -6.571  -0.054  -9.563
  115    H    THR  14           HN       THR  14  -1.555   1.806  -5.281
  116    HA   THR  14           HA       THR  14  -1.047   4.448  -4.406
  117    HB   THR  14           HB       THR  14  -1.380   1.992  -2.673
  118    HG1  THR  14           HG1      THR  14  -3.219   1.968  -3.822
  119   HG21  THR  14          HG21      THR  14  -2.307   3.581  -1.050
  120   HG22  THR  14          HG22      THR  14  -1.985   4.910  -2.164
  121   HG23  THR  14          HG23      THR  14  -0.645   3.996  -1.470
  122    H    VAL  15           HN       VAL  15   0.755   1.420  -4.142
  123    HA   VAL  15           HA       VAL  15   2.738   2.334  -2.366
  124    HB   VAL  15           HB       VAL  15   2.783   0.107  -4.402
  125   HG11  VAL  15          HG11      VAL  15   4.798  -0.722  -3.280
  126   HG12  VAL  15          HG12      VAL  15   4.839   0.731  -2.281
  127   HG13  VAL  15          HG13      VAL  15   5.077   0.853  -4.024
  128   HG21  VAL  15          HG21      VAL  15   2.558  -1.322  -2.437
  129   HG22  VAL  15          HG22      VAL  15   1.229  -0.167  -2.538
  130   HG23  VAL  15          HG23      VAL  15   2.547   0.101  -1.397
  131    H    ILE  16           HN       ILE  16   2.921   1.949  -5.929
  132    HA   ILE  16           HA       ILE  16   5.476   3.047  -6.196
  133    HB   ILE  16           HB       ILE  16   4.927   3.455  -8.568
  134   HG12  ILE  16          HG12      ILE  16   2.155   2.527  -7.776
  135   HG13  ILE  16          HG11      ILE  16   2.585   4.150  -8.305
  136   HG21  ILE  16          HG21      ILE  16   5.691   1.270  -7.854
  137   HG22  ILE  16          HG22      ILE  16   4.504   1.106  -9.148
  138   HG23  ILE  16          HG23      ILE  16   4.036   0.790  -7.477
  139   HD11  ILE  16          HD11      ILE  16   2.705   1.635  -9.952
  140   HD12  ILE  16          HD12      ILE  16   3.231   3.229 -10.495
  141   HD13  ILE  16          HD13      ILE  16   1.535   2.946 -10.102
  142    H    TYR  17           HN       TYR  17   2.332   4.638  -6.109
  143    HA   TYR  17           HA       TYR  17   3.190   7.187  -6.933
  144    HB2  TYR  17           HB2      TYR  17   0.811   6.500  -6.814
  145    HB3  TYR  17           HB1      TYR  17   0.915   6.507  -5.057
  146    HD1  TYR  17           HD1      TYR  17   1.150   8.676  -8.055
  147    HD2  TYR  17           HD2      TYR  17   0.621   8.507  -3.837
  148    HE1  TYR  17           HE1      TYR  17   0.558  11.063  -8.039
  149    HE2  TYR  17           HE2      TYR  17   0.027  10.892  -3.810
  150    HH   TYR  17           HH       TYR  17   0.523  12.928  -5.321
  151    H    ILE  18           HN       ILE  18   2.646   5.908  -3.649
  152    HA   ILE  18           HA       ILE  18   3.678   8.220  -2.363
  153    HB   ILE  18           HB       ILE  18   3.144   5.430  -1.353
  154   HG12  ILE  18          HG12      ILE  18   1.743   8.076  -0.911
  155   HG13  ILE  18          HG11      ILE  18   1.195   6.800  -1.991
  156   HG21  ILE  18          HG21      ILE  18   3.992   7.845   0.248
  157   HG22  ILE  18          HG22      ILE  18   4.946   6.385  -0.014
  158   HG23  ILE  18          HG23      ILE  18   3.450   6.306   0.917
  159   HD11  ILE  18          HD11      ILE  18   0.068   6.975   0.269
  160   HD12  ILE  18          HD12      ILE  18   1.572   6.344   0.947
  161   HD13  ILE  18          HD13      ILE  18   0.653   5.382  -0.212
  162    H    CYS  19           HN       CYS  19   5.103   5.143  -3.340
  163    HA   CYS  19           HA       CYS  19   7.528   5.331  -1.980
  164    HB2  CYS  19           HB2      CYS  19   6.650   3.941  -4.471
  165    HB3  CYS  19           HB1      CYS  19   8.371   4.011  -4.110
  166    H    ALA  20           HN       ALA  20   6.475   6.912  -4.929
  167    HA   ALA  20           HA       ALA  20   9.157   7.953  -5.389
  168    HB1  ALA  20           HB1      ALA  20   8.264   8.913  -7.416
  169    HB2  ALA  20           HB2      ALA  20   6.619   8.510  -6.919
  170    HB3  ALA  20           HB3      ALA  20   7.766   7.225  -7.297
  171    H    SER  21           HN       SER  21   5.912   9.249  -4.742
  172    HA   SER  21           HA       SER  21   6.545  11.941  -4.618
  173    HB2  SER  21           HB2      SER  21   4.463  10.508  -2.974
  174    HB3  SER  21           HB1      SER  21   4.466  12.219  -3.396
  175    HG   SER  21           HG       SER  21   4.002   9.971  -5.030
  176    H    SER  22           HN       SER  22   7.378   9.494  -2.329
  177    HA   SER  22           HA       SER  22   7.550  11.120  -0.021
  178    HB2  SER  22           HB2      SER  22   9.361   9.215   0.528
  179    HB3  SER  22           HB1      SER  22   7.623   8.930   0.620
  180    HG   SER  22           HG       SER  22   7.672   7.823  -1.232
  181    H    ARG  23           HN       ARG  23   9.589  10.788  -2.803
  182    HA   ARG  23           HA       ARG  23  11.632  12.400  -1.419
  183    HB2  ARG  23           HB2      ARG  23  13.267  11.571  -3.064
  184    HB3  ARG  23           HB1      ARG  23  12.574  10.282  -2.096
  185    HG2  ARG  23           HG2      ARG  23  10.949  10.420  -4.342
  186    HG3  ARG  23           HG1      ARG  23  12.588  10.645  -4.952
  187    HD2  ARG  23           HD2      ARG  23  12.034   8.286  -4.924
  188    HD3  ARG  23           HD1      ARG  23  13.303   8.627  -3.749
  189    HE   ARG  23           HE       ARG  23  10.475   8.358  -2.953
  190   HH11  ARG  23          HH11      ARG  23  13.843   7.466  -2.573
  191   HH12  ARG  23          HH12      ARG  23  13.556   6.496  -1.169
  192   HH21  ARG  23          HH21      ARG  23  10.092   7.101  -1.107
  193   HH22  ARG  23          HH22      ARG  23  11.409   6.271  -0.334
  194    H    TRP  24           HN       TRP  24   9.250  12.439  -3.786
  195    HA   TRP  24           HA       TRP  24  10.525  14.668  -5.206
  196    HB2  TRP  24           HB2      TRP  24   7.978  13.214  -5.942
  197    HB3  TRP  24           HB1      TRP  24   8.848  14.381  -6.930
  198    HD1  TRP  24           HD1      TRP  24   8.222  10.963  -7.071
  199    HE1  TRP  24           HE1      TRP  24  10.150   9.585  -8.079
  200    HE3  TRP  24           HE3      TRP  24  11.994  14.363  -6.574
  201    HZ2  TRP  24           HZ2      TRP  24  12.906   9.897  -8.584
  202    HZ3  TRP  24           HZ3      TRP  24  14.248  13.745  -7.331
  203    HH2  TRP  24           HH2      TRP  24  14.696  11.558  -8.319
  204    HN1  NH2  25           H1       NH2  25  10.151  15.853  -3.143
  205    HN2  NH2  25           H2       NH2  25   8.635  16.658  -2.945
  206    H1   PCA   1           HN       PCA   1  -2.343 -12.328   4.778
  207    HA   PCA   1           HA       PCA   1  -0.970 -14.443   4.776
  208    HB2  PCA   1           HB2      PCA   1  -1.161 -14.808   1.919
  209    HB3  PCA   1           HB1      PCA   1  -1.699 -15.906   3.206
  210    HG2  PCA   1           HG2      PCA   1  -3.322 -14.275   1.516
  211    HG3  PCA   1           HG1      PCA   1  -3.842 -15.337   2.845
  212    H    ASP   2           HN       ASP   2  -0.962 -12.826   1.636
  213    HA   ASP   2           HA       ASP   2   1.832 -12.130   1.974
  214    HB2  ASP   2           HB2      ASP   2   1.690 -12.855  -0.177
  215    HB3  ASP   2           HB1      ASP   2  -0.013 -12.443  -0.308
  216    H    LEU   3           HN       LEU   3   2.567  -9.886   1.488
  217    HA   LEU   3           HA       LEU   3   1.294  -8.036   3.148
  218    HB2  LEU   3           HB2      LEU   3   3.687  -7.989   2.445
  219    HB3  LEU   3           HB1      LEU   3   3.172  -7.399   0.877
  220    HG   LEU   3           HG       LEU   3   2.258  -5.375   1.933
  221   HD11  LEU   3          HD11      LEU   3   1.661  -6.209   4.102
  222   HD12  LEU   3          HD12      LEU   3   2.836  -4.910   4.301
  223   HD13  LEU   3          HD13      LEU   3   3.343  -6.590   4.468
  224   HD21  LEU   3          HD21      LEU   3   5.126  -5.948   2.669
  225   HD22  LEU   3          HD22      LEU   3   4.391  -4.349   2.545
  226   HD23  LEU   3          HD23      LEU   3   4.550  -5.361   1.108
  227    H    GLN   4           HN       GLN   4   1.086  -8.443  -0.359
  228    HA   GLN   4           HA       GLN   4  -0.618  -6.128  -0.683
  229    HB2  GLN   4           HB2      GLN   4  -0.313  -8.301  -2.734
  230    HB3  GLN   4           HB1      GLN   4  -0.544  -6.575  -2.980
  231    HG2  GLN   4           HG2      GLN   4   1.671  -6.094  -2.685
  232    HG3  GLN   4           HG1      GLN   4   1.954  -7.500  -1.661
  233   HE21  GLN   4          HE21      GLN   4   2.267  -9.522  -2.617
  234   HE22  GLN   4          HE22      GLN   4   2.713  -9.669  -4.284
  235    H    THR   5           HN       THR   5  -0.916  -9.618  -0.717
  236    HA   THR   5           HA       THR   5  -3.624  -9.861  -1.331
  237    HB   THR   5           HB       THR   5  -1.914 -11.683   0.387
  238    HG1  THR   5           HG1      THR   5  -1.040 -11.252  -1.721
  239   HG21  THR   5          HG21      THR   5  -4.456 -12.202  -1.178
  240   HG22  THR   5          HG22      THR   5  -4.272 -12.253   0.576
  241   HG23  THR   5          HG23      THR   5  -3.458 -13.449  -0.432
  242    H    LEU   6           HN       LEU   6  -2.042  -9.695   1.862
  243    HA   LEU   6           HA       LEU   6  -4.431  -9.970   3.355
  244    HB2  LEU   6           HB2      LEU   6  -2.139 -10.379   4.234
  245    HB3  LEU   6           HB1      LEU   6  -1.864  -8.650   4.219
  246    HG   LEU   6           HG       LEU   6  -4.041  -8.645   5.715
  247   HD11  LEU   6          HD11      LEU   6  -4.397 -11.064   5.525
  248   HD12  LEU   6          HD12      LEU   6  -4.146 -10.554   7.195
  249   HD13  LEU   6          HD13      LEU   6  -2.841 -11.342   6.308
  250   HD21  LEU   6          HD21      LEU   6  -2.588  -8.677   7.692
  251   HD22  LEU   6          HD22      LEU   6  -1.886  -7.740   6.373
  252   HD23  LEU   6          HD23      LEU   6  -1.290  -9.364   6.716
  253    H    CYS   7           HN       CYS   7  -3.107  -7.317   1.634
  254    HA   CYS   7           HA       CYS   7  -4.272  -5.239   3.192
  255    HB2  CYS   7           HB2      CYS   7  -2.412  -4.855   1.579
  256    HB3  CYS   7           HB1      CYS   7  -3.532  -5.172   0.257
  257    H    CYS   8           HN       CYS   8  -5.511  -7.539   1.023
  258    HA   CYS   8           HA       CYS   8  -7.901  -5.989   0.409
  259    HB2  CYS   8           HB2      CYS   8  -6.606  -7.650  -1.169
  260    HB3  CYS   8           HB1      CYS   8  -7.536  -8.877  -0.320
  261    H    THR   9           HN       THR   9  -6.774  -8.502   2.528
  262    HA   THR   9           HA       THR   9  -9.461  -9.214   3.390
  263    HB   THR   9           HB       THR   9  -8.065 -10.711   5.006
  264    HG1  THR   9           HG1      THR   9  -5.984 -11.180   3.767
  265   HG21  THR   9          HG21      THR   9  -8.026 -11.168   2.022
  266   HG22  THR   9          HG22      THR   9  -9.344 -11.582   3.118
  267   HG23  THR   9          HG23      THR   9  -7.792 -12.409   3.252
  268    H    ASP  10           HN       ASP  10  -6.515  -8.607   5.275
  269    HA   ASP  10           HA       ASP  10  -7.994  -7.516   7.488
  270    HB2  ASP  10           HB2      ASP  10  -5.975  -8.805   7.922
  271    HB3  ASP  10           HB1      ASP  10  -5.030  -7.712   6.927
  272    H    GLY  11           HN       GLY  11  -6.064  -6.283   4.855
  273    HA2  GLY  11           HA2      GLY  11  -6.378  -4.127   3.923
  274    HA3  GLY  11           HA1      GLY  11  -7.032  -3.585   5.464
  275    H    CYS  12           HN       CYS  12  -4.558  -3.058   3.509
  276    HA   CYS  12           HA       CYS  12  -2.508  -3.036   5.591
  277    HB2  CYS  12           HB2      CYS  12  -0.913  -2.571   3.828
  278    HB3  CYS  12           HB1      CYS  12  -1.906  -3.945   3.360
  279    H    SER  13           HN       SER  13  -1.579  -1.189   6.341
  280    HA   SER  13           HA       SER  13  -3.172   1.216   5.972
  281    HB2  SER  13           HB2      SER  13  -0.915   1.507   7.759
  282    HB3  SER  13           HB1      SER  13  -2.639   1.607   8.118
  283    HG   SER  13           HG       SER  13  -0.883  -0.567   8.301
  284    H    MET  14           HN       MET  14  -1.989   3.325   5.842
  285    HA   MET  14           HA       MET  14  -0.353   3.376   3.527
  286    HB2  MET  14           HB2      MET  14  -1.868   5.235   4.484
  287    HB3  MET  14           HB1      MET  14  -0.534   5.591   5.566
  288    HG2  MET  14           HG2      MET  14  -0.146   5.520   2.600
  289    HG3  MET  14           HG1      MET  14  -0.772   6.953   3.409
  290    HE1  MET  14           HE1      MET  14   0.964   6.806   6.232
  291    HE2  MET  14           HE2      MET  14   0.490   8.226   5.301
  292    HE3  MET  14           HE3      MET  14   2.181   7.981   5.736
  293    H    THR  15           HN       THR  15   0.164   3.497   6.940
  294    HA   THR  15           HA       THR  15   2.882   4.086   7.065
  295    HB   THR  15           HB       THR  15   1.479   2.190   8.946
  296    HG1  THR  15           HG1      THR  15   0.076   3.790   9.173
  297   HG21  THR  15          HG21      THR  15   2.909   3.258  10.624
  298   HG22  THR  15          HG22      THR  15   3.601   4.299   9.380
  299   HG23  THR  15          HG23      THR  15   3.876   2.558   9.326
  300    H    ASP  16           HN       ASP  16   1.227   0.986   6.609
  301    HA   ASP  16           HA       ASP  16   3.461  -0.697   6.831
  302    HB2  ASP  16           HB2      ASP  16   1.143  -1.236   4.972
  303    HB3  ASP  16           HB1      ASP  16   2.164  -2.406   5.788
  304    H    LEU  17           HN       LEU  17   1.894   0.642   3.926
  305    HA   LEU  17           HA       LEU  17   3.872  -0.438   2.184
  306    HB2  LEU  17           HB2      LEU  17   2.795   0.944   0.439
  307    HB3  LEU  17           HB1      LEU  17   1.691  -0.095   1.314
  308    HG   LEU  17           HG       LEU  17   1.447   2.218   2.726
  309   HD11  LEU  17          HD11      LEU  17   2.933   3.370   1.110
  310   HD12  LEU  17          HD12      LEU  17   1.316   4.064   1.206
  311   HD13  LEU  17          HD13      LEU  17   1.753   3.034  -0.156
  312   HD21  LEU  17          HD21      LEU  17  -0.086   1.358   0.275
  313   HD22  LEU  17          HD22      LEU  17  -0.650   2.528   1.468
  314   HD23  LEU  17          HD23      LEU  17  -0.386   0.848   1.936
  315    H    SER  18           HN       SER  18   3.560   2.714   3.772
  316    HA   SER  18           HA       SER  18   5.513   4.013   2.166
  317    HB2  SER  18           HB2      SER  18   5.691   5.586   4.181
  318    HB3  SER  18           HB1      SER  18   4.106   5.446   3.420
  319    HG   SER  18           HG       SER  18   3.357   4.365   5.115
  320    H    ALA  19           HN       ALA  19   5.688   1.945   4.984
  321    HA   ALA  19           HA       ALA  19   8.420   2.435   5.602
  322    HB1  ALA  19           HB1      ALA  19   6.726   0.007   6.203
  323    HB2  ALA  19           HB2      ALA  19   6.878   1.438   7.223
  324    HB3  ALA  19           HB3      ALA  19   8.276   0.397   6.949
  325    H    LEU  20           HN       LEU  20   6.749   0.505   3.294
  326    HA   LEU  20           HA       LEU  20   9.012  -1.155   2.603
  327    HB2  LEU  20           HB2      LEU  20   6.540  -1.793   2.426
  328    HB3  LEU  20           HB1      LEU  20   6.476  -0.748   1.021
  329    HG   LEU  20           HG       LEU  20   8.447  -2.231   0.160
  330   HD11  LEU  20          HD11      LEU  20   8.815  -3.458   2.213
  331   HD12  LEU  20          HD12      LEU  20   8.272  -4.554   0.942
  332   HD13  LEU  20          HD13      LEU  20   7.147  -4.031   2.196
  333   HD21  LEU  20          HD21      LEU  20   6.824  -3.762  -0.859
  334   HD22  LEU  20          HD22      LEU  20   6.262  -2.091  -0.896
  335   HD23  LEU  20          HD23      LEU  20   5.600  -3.219   0.288
  336    H    CYS  21           HN       CYS  21   7.837   1.925   1.904
  337    HA   CYS  21           HA       CYS  21   8.988   2.187  -0.731
  338    HB2  CYS  21           HB2      CYS  21   7.507   4.000   1.150
  339    HB3  CYS  21           HB1      CYS  21   8.322   4.661  -0.257
  340    HN1  NH2  22           H1       NH2  22  10.930   1.401   1.049
  341    HN2  NH2  22           H2       NH2  22  12.054   2.689   1.305
  Start of MODEL    9
    1    H1   LYS   1           HN       LYS   1  -6.902   1.960  12.918
    2    HA   LYS   1           HA       LYS   1  -4.391   3.132  12.414
    3    HB2  LYS   1           HB2      LYS   1  -4.709   0.225  11.671
    4    HB3  LYS   1           HB1      LYS   1  -3.578   1.286  10.843
    5    HG2  LYS   1           HG2      LYS   1  -3.519   0.924  13.820
    6    HG3  LYS   1           HG1      LYS   1  -2.674  -0.169  12.724
    7    HD2  LYS   1           HD2      LYS   1  -2.241   2.746  12.359
    8    HD3  LYS   1           HD1      LYS   1  -1.509   1.986  13.772
    9    HE2  LYS   1           HE2      LYS   1   0.125   1.890  12.072
   10    HE3  LYS   1           HE1      LYS   1  -0.547   0.265  12.183
   11    HZ1  LYS   1           HZ1      LYS   1  -1.367   2.301  10.175
   12    HZ2  LYS   1           HZ2      LYS   1  -1.881   0.687  10.247
   13    HZ3  LYS   1           HZ3      LYS   1  -0.265   1.036   9.879
   14    H    GLU   2           HN       GLU   2  -4.043   3.456  10.053
   15    HA   GLU   2           HA       GLU   2  -6.597   4.040   8.783
   16    HB2  GLU   2           HB2      GLU   2  -4.453   4.775   7.090
   17    HB3  GLU   2           HB1      GLU   2  -5.489   5.819   8.045
   18    HG2  GLU   2           HG2      GLU   2  -3.240   6.361   8.577
   19    HG3  GLU   2           HG1      GLU   2  -3.918   5.509   9.961
   20    H    SER   3           HN       SER   3  -6.542   1.498   8.839
   21    HA   SER   3           HA       SER   3  -5.148   0.298   6.616
   22    HB2  SER   3           HB2      SER   3  -7.213  -0.981   8.406
   23    HB3  SER   3           HB1      SER   3  -5.975  -1.785   7.439
   24    HG   SER   3           HG       SER   3  -4.447  -0.502   8.795
   25    H    VAL   4           HN       VAL   4  -5.868   0.114   4.652
   26    HA   VAL   4           HA       VAL   4  -8.767   0.258   4.136
   27    HB   VAL   4           HB       VAL   4  -7.957   1.121   1.807
   28   HG11  VAL   4          HG11      VAL   4  -7.909   2.876   4.260
   29   HG12  VAL   4          HG12      VAL   4  -9.335   2.419   3.327
   30   HG13  VAL   4          HG13      VAL   4  -8.096   3.444   2.601
   31   HG21  VAL   4          HG21      VAL   4  -5.935   2.504   1.916
   32   HG22  VAL   4          HG22      VAL   4  -5.569   0.801   2.195
   33   HG23  VAL   4          HG23      VAL   4  -5.629   1.924   3.553
   34    H    ARG   5           HN       ARG   5  -9.352  -0.827   2.023
   35    HA   ARG   5           HA       ARG   5  -7.707  -3.247   1.745
   36    HB2  ARG   5           HB2      ARG   5 -10.644  -2.836   1.844
   37    HB3  ARG   5           HB1      ARG   5 -10.050  -4.087   0.758
   38    HG2  ARG   5           HG2      ARG   5  -9.018  -5.267   2.529
   39    HG3  ARG   5           HG1      ARG   5  -9.245  -3.926   3.646
   40    HD2  ARG   5           HD2      ARG   5 -11.736  -4.262   3.333
   41    HD3  ARG   5           HD1      ARG   5 -11.332  -5.770   2.510
   42    HE   ARG   5           HE       ARG   5 -10.467  -5.220   5.279
   43   HH11  ARG   5          HH11      ARG   5 -11.953  -7.335   2.914
   44   HH12  ARG   5          HH12      ARG   5 -12.084  -8.668   4.009
   45   HH21  ARG   5          HH21      ARG   5 -10.631  -6.976   6.724
   46   HH22  ARG   5          HH22      ARG   5 -11.327  -8.466   6.176
   47    H    LEU   6           HN       LEU   6  -6.524  -3.194   0.014
   48    HA   LEU   6           HA       LEU   6  -7.710  -2.315  -2.536
   49    HB2  LEU   6           HB2      LEU   6  -4.944  -1.848  -1.439
   50    HB3  LEU   6           HB1      LEU   6  -5.248  -1.827  -3.162
   51    HG   LEU   6           HG       LEU   6  -5.328   0.414  -2.639
   52   HD11  LEU   6          HD11      LEU   6  -7.562   1.165  -2.872
   53   HD12  LEU   6          HD12      LEU   6  -8.204  -0.309  -2.148
   54   HD13  LEU   6          HD13      LEU   6  -7.442  -0.367  -3.737
   55   HD21  LEU   6          HD21      LEU   6  -6.778  -0.288  -0.094
   56   HD22  LEU   6          HD22      LEU   6  -6.368   1.344  -0.622
   57   HD23  LEU   6          HD23      LEU   6  -5.088   0.192  -0.242
   58    H    CYS   7           HN       CYS   7  -6.937  -3.537  -4.415
   59    HA   CYS   7           HA       CYS   7  -5.829  -6.140  -3.606
   60    HB2  CYS   7           HB2      CYS   7  -8.149  -5.482  -5.347
   61    HB3  CYS   7           HB1      CYS   7  -7.184  -6.900  -5.751
   62    H    GLY   8           HN       GLY   8  -3.945  -6.566  -4.386
   63    HA2  GLY   8           HA2      GLY   8  -2.069  -6.581  -5.690
   64    HA3  GLY   8           HA1      GLY   8  -3.202  -6.768  -7.013
   65    H    LEU   9           HN       LEU   9  -3.321  -5.243  -8.482
   66    HA   LEU   9           HA       LEU   9  -1.399  -3.303  -8.805
   67    HB2  LEU   9           HB2      LEU   9  -4.180  -3.380  -9.965
   68    HB3  LEU   9           HB1      LEU   9  -2.883  -2.356 -10.547
   69    HG   LEU   9           HG       LEU   9  -2.810  -5.374 -10.549
   70   HD11  LEU   9          HD11      LEU   9  -3.119  -5.182 -12.968
   71   HD12  LEU   9          HD12      LEU   9  -3.332  -3.439 -12.801
   72   HD13  LEU   9          HD13      LEU   9  -4.505  -4.544 -12.083
   73   HD21  LEU   9          HD21      LEU   9  -0.596  -4.427 -10.423
   74   HD22  LEU   9          HD22      LEU   9  -0.965  -3.301 -11.729
   75   HD23  LEU   9          HD23      LEU   9  -0.877  -5.032 -12.056
   76    H    GLU  10           HN       GLU  10  -4.581  -2.982  -7.315
   77    HA   GLU  10           HA       GLU  10  -4.644  -0.182  -7.154
   78    HB2  GLU  10           HB2      GLU  10  -5.838  -2.128  -5.172
   79    HB3  GLU  10           HB1      GLU  10  -6.340  -0.466  -5.448
   80    HG2  GLU  10           HG2      GLU  10  -6.762  -2.873  -7.167
   81    HG3  GLU  10           HG1      GLU  10  -7.942  -1.711  -6.563
   82    H    TYR  11           HN       TYR  11  -3.394  -2.610  -4.896
   83    HA   TYR  11           HA       TYR  11  -2.581  -0.713  -2.934
   84    HB2  TYR  11           HB2      TYR  11  -2.994  -3.040  -2.316
   85    HB3  TYR  11           HB1      TYR  11  -1.697  -3.574  -3.381
   86    HD1  TYR  11           HD2      TYR  11  -2.047  -0.991  -0.691
   87    HD2  TYR  11           HD1      TYR  11   0.178  -4.266  -2.244
   88    HE1  TYR  11           HE2      TYR  11  -0.443  -0.772   1.160
   89    HE2  TYR  11           HE1      TYR  11   1.789  -4.055  -0.398
   90    HH   TYR  11           HH       TYR  11   1.198  -2.302   2.364
   91    H    ILE  12           HN       ILE  12  -0.868  -2.549  -5.440
   92    HA   ILE  12           HA       ILE  12   1.713  -1.630  -5.002
   93    HB   ILE  12           HB       ILE  12   0.399  -2.299  -7.642
   94   HG12  ILE  12          HG12      ILE  12   2.179  -4.040  -5.935
   95   HG13  ILE  12          HG11      ILE  12   0.422  -4.068  -5.825
   96   HG21  ILE  12          HG21      ILE  12   2.670  -2.692  -8.476
   97   HG22  ILE  12          HG22      ILE  12   3.329  -2.118  -6.944
   98   HG23  ILE  12          HG23      ILE  12   2.438  -1.013  -7.990
   99   HD11  ILE  12          HD11      ILE  12   2.064  -4.723  -8.258
  100   HD12  ILE  12          HD12      ILE  12   0.302  -4.705  -8.189
  101   HD13  ILE  12          HD13      ILE  12   1.211  -5.869  -7.223
  102    H    ARG  13           HN       ARG  13  -0.855  -0.223  -6.996
  103    HA   ARG  13           HA       ARG  13   0.579   1.925  -8.071
  104    HB2  ARG  13           HB2      ARG  13  -1.851   0.993  -8.515
  105    HB3  ARG  13           HB1      ARG  13  -2.305   2.233  -7.356
  106    HG2  ARG  13           HG2      ARG  13  -1.356   3.951  -8.753
  107    HG3  ARG  13           HG1      ARG  13  -0.749   2.738  -9.883
  108    HD2  ARG  13           HD2      ARG  13  -3.628   3.387  -9.271
  109    HD3  ARG  13           HD1      ARG  13  -2.768   3.679 -10.781
  110    HE   ARG  13           HE       ARG  13  -2.657   1.247 -11.057
  111   HH11  ARG  13          HH11      ARG  13  -5.018   2.515  -8.799
  112   HH12  ARG  13          HH12      ARG  13  -6.040   1.105  -8.870
  113   HH21  ARG  13          HH21      ARG  13  -4.022  -0.597 -11.164
  114   HH22  ARG  13          HH22      ARG  13  -5.466  -0.662 -10.190
  115    H    THR  14           HN       THR  14  -1.248   1.627  -5.066
  116    HA   THR  14           HA       THR  14  -1.011   4.323  -4.261
  117    HB   THR  14           HB       THR  14  -1.305   1.907  -2.462
  118    HG1  THR  14           HG1      THR  14  -2.962   1.815  -3.974
  119   HG21  THR  14          HG21      THR  14  -0.821   3.995  -1.279
  120   HG22  THR  14          HG22      THR  14  -2.479   3.472  -0.981
  121   HG23  THR  14          HG23      THR  14  -2.159   4.785  -2.114
  122    H    VAL  15           HN       VAL  15   0.949   1.441  -3.637
  123    HA   VAL  15           HA       VAL  15   2.734   2.613  -1.798
  124    HB   VAL  15           HB       VAL  15   3.284   0.314  -3.684
  125   HG11  VAL  15          HG11      VAL  15   5.321   1.219  -2.702
  126   HG12  VAL  15          HG12      VAL  15   4.954  -0.365  -2.020
  127   HG13  VAL  15          HG13      VAL  15   4.616   1.095  -1.090
  128   HG21  VAL  15          HG21      VAL  15   2.119   0.351  -0.907
  129   HG22  VAL  15          HG22      VAL  15   2.676  -1.102  -1.736
  130   HG23  VAL  15          HG23      VAL  15   1.324  -0.177  -2.389
  131    H    ILE  16           HN       ILE  16   3.195   1.945  -5.286
  132    HA   ILE  16           HA       ILE  16   5.697   3.189  -5.469
  133    HB   ILE  16           HB       ILE  16   5.339   3.296  -7.901
  134   HG12  ILE  16          HG12      ILE  16   2.570   2.238  -7.284
  135   HG13  ILE  16          HG11      ILE  16   2.925   3.865  -7.853
  136   HG21  ILE  16          HG21      ILE  16   4.486   0.711  -6.605
  137   HG22  ILE  16          HG22      ILE  16   6.142   1.246  -6.890
  138   HG23  ILE  16          HG23      ILE  16   5.087   0.878  -8.255
  139   HD11  ILE  16          HD11      ILE  16   2.145   2.490  -9.672
  140   HD12  ILE  16          HD12      ILE  16   3.409   1.302  -9.353
  141   HD13  ILE  16          HD13      ILE  16   3.838   2.915  -9.926
  142    H    TYR  17           HN       TYR  17   2.463   4.551  -5.687
  143    HA   TYR  17           HA       TYR  17   3.207   7.055  -6.757
  144    HB2  TYR  17           HB2      TYR  17   0.890   6.355  -6.786
  145    HB3  TYR  17           HB1      TYR  17   0.853   6.267  -5.029
  146    HD1  TYR  17           HD2      TYR  17   1.542   8.738  -7.750
  147    HD2  TYR  17           HD1      TYR  17  -0.050   8.047  -3.865
  148    HE1  TYR  17           HE2      TYR  17   0.780  11.074  -7.652
  149    HE2  TYR  17           HE1      TYR  17  -0.817  10.380  -3.758
  150    HH   TYR  17           HH       TYR  17  -0.813  12.446  -6.503
  151    H    ILE  18           HN       ILE  18   2.545   6.082  -3.391
  152    HA   ILE  18           HA       ILE  18   3.311   8.574  -2.280
  153    HB   ILE  18           HB       ILE  18   3.082   5.846  -1.004
  154   HG12  ILE  18          HG12      ILE  18   1.233   8.240  -0.903
  155   HG13  ILE  18          HG11      ILE  18   0.999   6.842  -1.947
  156   HG21  ILE  18          HG21      ILE  18   4.591   7.241   0.305
  157   HG22  ILE  18          HG22      ILE  18   3.058   7.020   1.149
  158   HG23  ILE  18          HG23      ILE  18   3.398   8.540   0.320
  159   HD11  ILE  18          HD11      ILE  18  -0.325   6.925   0.214
  160   HD12  ILE  18          HD12      ILE  18   1.201   6.577   1.031
  161   HD13  ILE  18          HD13      ILE  18   0.544   5.433  -0.139
  162    H    CYS  19           HN       CYS  19   5.030   5.507  -2.726
  163    HA   CYS  19           HA       CYS  19   7.361   6.214  -1.335
  164    HB2  CYS  19           HB2      CYS  19   6.864   4.217  -3.533
  165    HB3  CYS  19           HB1      CYS  19   8.433   4.398  -2.757
  166    H    ALA  20           HN       ALA  20   6.322   7.026  -4.567
  167    HA   ALA  20           HA       ALA  20   8.988   7.922  -5.299
  168    HB1  ALA  20           HB1      ALA  20   7.594   6.876  -7.009
  169    HB2  ALA  20           HB2      ALA  20   8.004   8.538  -7.440
  170    HB3  ALA  20           HB3      ALA  20   6.396   8.158  -6.820
  171    H    SER  21           HN       SER  21   5.780   9.399  -4.867
  172    HA   SER  21           HA       SER  21   6.443  12.038  -5.312
  173    HB2  SER  21           HB2      SER  21   4.432  11.042  -3.288
  174    HB3  SER  21           HB1      SER  21   4.432  12.612  -4.093
  175    HG   SER  21           HG       SER  21   3.808  10.074  -5.116
  176    H    SER  22           HN       SER  22   7.124  10.121  -2.469
  177    HA   SER  22           HA       SER  22   7.554  12.258  -0.669
  178    HB2  SER  22           HB2      SER  22   9.094  10.341   0.393
  179    HB3  SER  22           HB1      SER  22   7.334  10.307   0.499
  180    HG   SER  22           HG       SER  22   7.244   8.740  -0.966
  181    H    ARG  23           HN       ARG  23   9.421  11.150  -3.321
  182    HA   ARG  23           HA       ARG  23  11.732  12.660  -2.283
  183    HB2  ARG  23           HB2      ARG  23  13.236  11.197  -3.347
  184    HB3  ARG  23           HB1      ARG  23  12.051  10.159  -2.574
  185    HG2  ARG  23           HG2      ARG  23  10.904  10.255  -4.935
  186    HG3  ARG  23           HG1      ARG  23  12.538  10.663  -5.458
  187    HD2  ARG  23           HD2      ARG  23  12.122   8.247  -5.569
  188    HD3  ARG  23           HD1      ARG  23  13.405   8.646  -4.427
  189    HE   ARG  23           HE       ARG  23  10.634   8.020  -3.604
  190   HH11  ARG  23          HH11      ARG  23  14.101   7.739  -3.140
  191   HH12  ARG  23          HH12      ARG  23  13.955   6.801  -1.693
  192   HH21  ARG  23          HH21      ARG  23  10.440   6.804  -1.710
  193   HH22  ARG  23          HH22      ARG  23  11.858   6.262  -0.866
  194    H    TRP  24           HN       TRP  24   9.258  12.956  -4.316
  195    HA   TRP  24           HA       TRP  24  10.856  14.353  -6.355
  196    HB2  TRP  24           HB2      TRP  24   8.071  13.198  -6.613
  197    HB3  TRP  24           HB1      TRP  24   8.900  14.118  -7.862
  198    HD1  TRP  24           HD1      TRP  24   7.971  10.811  -7.494
  199    HE1  TRP  24           HE1      TRP  24   9.652   9.115  -8.444
  200    HE3  TRP  24           HE3      TRP  24  12.096  13.805  -7.741
  201    HZ2  TRP  24           HZ2      TRP  24  12.368   9.049  -9.189
  202    HZ3  TRP  24           HZ3      TRP  24  14.199  12.849  -8.574
  203    HH2  TRP  24           HH2      TRP  24  14.333  10.519  -9.287
  204    HN1  NH2  25           H1       NH2  25   8.062  14.541  -4.248
  205    HN2  NH2  25           H2       NH2  25   7.853  16.252  -4.366
  206    H1   PCA   1           HN       PCA   1  -2.106 -12.471   4.736
  207    HA   PCA   1           HA       PCA   1  -0.434 -14.343   4.958
  208    HB2  PCA   1           HB2      PCA   1  -0.210 -14.774   2.116
  209    HB3  PCA   1           HB1      PCA   1  -0.745 -15.922   3.361
  210    HG2  PCA   1           HG2      PCA   1  -2.354 -14.562   1.429
  211    HG3  PCA   1           HG1      PCA   1  -2.880 -15.685   2.705
  212    H    ASP   2           HN       ASP   2  -0.245 -12.850   1.769
  213    HA   ASP   2           HA       ASP   2   2.344 -11.727   2.382
  214    HB2  ASP   2           HB2      ASP   2   2.447 -12.469   0.217
  215    HB3  ASP   2           HB1      ASP   2   0.738 -12.180  -0.072
  216    H    LEU   3           HN       LEU   3   2.816  -9.425   2.089
  217    HA   LEU   3           HA       LEU   3   1.112  -7.784   3.566
  218    HB2  LEU   3           HB2      LEU   3   3.526  -7.376   3.233
  219    HB3  LEU   3           HB1      LEU   3   3.208  -6.930   1.568
  220    HG   LEU   3           HG       LEU   3   1.839  -5.024   2.363
  221   HD11  LEU   3          HD11      LEU   3   2.791  -5.913   5.081
  222   HD12  LEU   3          HD12      LEU   3   1.124  -5.865   4.506
  223   HD13  LEU   3          HD13      LEU   3   2.021  -4.364   4.736
  224   HD21  LEU   3          HD21      LEU   3   3.722  -3.667   3.187
  225   HD22  LEU   3          HD22      LEU   3   4.161  -4.657   1.795
  226   HD23  LEU   3          HD23      LEU   3   4.662  -5.142   3.415
  227    H    GLN   4           HN       GLN   4   1.543  -8.003   0.052
  228    HA   GLN   4           HA       GLN   4  -0.434  -5.996  -0.500
  229    HB2  GLN   4           HB2      GLN   4   1.218  -6.184  -2.147
  230    HB3  GLN   4           HB1      GLN   4   1.156  -7.938  -2.145
  231    HG2  GLN   4           HG2      GLN   4  -1.338  -7.376  -2.986
  232    HG3  GLN   4           HG1      GLN   4  -0.467  -5.981  -3.622
  233   HE21  GLN   4          HE21      GLN   4   0.921  -9.181  -3.189
  234   HE22  GLN   4          HE22      GLN   4   1.124  -9.511  -4.874
  235    H    THR   5           HN       THR   5  -0.308  -9.497  -0.456
  236    HA   THR   5           HA       THR   5  -2.835 -10.033  -1.546
  237    HB   THR   5           HB       THR   5  -1.217 -11.667   0.428
  238    HG1  THR   5           HG1      THR   5  -0.150 -11.153  -1.582
  239   HG21  THR   5          HG21      THR   5  -3.474 -12.464  -1.428
  240   HG22  THR   5          HG22      THR   5  -3.515 -12.466   0.335
  241   HG23  THR   5          HG23      THR   5  -2.462 -13.590  -0.524
  242    H    LEU   6           HN       LEU   6  -1.824  -9.632   1.850
  243    HA   LEU   6           HA       LEU   6  -4.342 -10.238   2.977
  244    HB2  LEU   6           HB2      LEU   6  -2.197 -10.226   4.224
  245    HB3  LEU   6           HB1      LEU   6  -2.192  -8.479   4.148
  246    HG   LEU   6           HG       LEU   6  -4.487  -8.657   5.344
  247   HD11  LEU   6          HD11      LEU   6  -4.650 -11.116   5.030
  248   HD12  LEU   6          HD12      LEU   6  -4.805 -10.600   6.709
  249   HD13  LEU   6          HD13      LEU   6  -3.292 -11.305   6.139
  250   HD21  LEU   6          HD21      LEU   6  -1.904  -9.311   6.757
  251   HD22  LEU   6          HD22      LEU   6  -3.365  -8.686   7.523
  252   HD23  LEU   6          HD23      LEU   6  -2.493  -7.699   6.350
  253    H    CYS   7           HN       CYS   7  -3.259  -7.480   1.286
  254    HA   CYS   7           HA       CYS   7  -4.753  -5.462   2.522
  255    HB2  CYS   7           HB2      CYS   7  -3.822  -5.818  -0.320
  256    HB3  CYS   7           HB1      CYS   7  -4.707  -4.389   0.204
  257    H    CYS   8           HN       CYS   8  -5.718  -8.074   0.458
  258    HA   CYS   8           HA       CYS   8  -8.375  -6.913   0.079
  259    HB2  CYS   8           HB2      CYS   8  -7.315  -9.575  -0.905
  260    HB3  CYS   8           HB1      CYS   8  -8.806  -8.788  -1.408
  261    H    THR   9           HN       THR   9  -6.721  -9.580   1.671
  262    HA   THR   9           HA       THR   9  -8.987 -10.932   2.643
  263    HB   THR   9           HB       THR   9  -6.576 -11.032   4.329
  264    HG1  THR   9           HG1      THR   9  -5.420 -12.166   2.606
  265   HG21  THR   9          HG21      THR   9  -8.112 -13.124   2.780
  266   HG22  THR   9          HG22      THR   9  -8.380 -12.689   4.468
  267   HG23  THR   9          HG23      THR   9  -6.860 -13.440   3.981
  268    H    ASP  10           HN       ASP  10  -6.813  -8.584   4.243
  269    HA   ASP  10           HA       ASP  10  -9.021  -8.008   6.107
  270    HB2  ASP  10           HB2      ASP  10  -6.895  -9.348   6.969
  271    HB3  ASP  10           HB1      ASP  10  -6.225  -7.723   7.086
  272    H    GLY  11           HN       GLY  11  -5.979  -6.775   4.733
  273    HA2  GLY  11           HA2      GLY  11  -6.492  -4.540   3.585
  274    HA3  GLY  11           HA1      GLY  11  -7.001  -4.054   5.194
  275    H    CYS  12           HN       CYS  12  -5.203  -2.525   4.110
  276    HA   CYS  12           HA       CYS  12  -2.835  -2.986   5.740
  277    HB2  CYS  12           HB2      CYS  12  -1.464  -2.156   3.677
  278    HB3  CYS  12           HB1      CYS  12  -1.911  -3.856   3.779
  279    H    SER  13           HN       SER  13  -1.821  -1.008   6.345
  280    HA   SER  13           HA       SER  13  -3.563   1.298   5.877
  281    HB2  SER  13           HB2      SER  13  -1.355   1.473   7.842
  282    HB3  SER  13           HB1      SER  13  -3.023   2.033   7.960
  283    HG   SER  13           HG       SER  13  -2.042  -0.623   8.260
  284    H    MET  14           HN       MET  14  -2.561   3.437   5.749
  285    HA   MET  14           HA       MET  14  -0.850   3.641   3.535
  286    HB2  MET  14           HB2      MET  14  -2.493   5.366   4.224
  287    HB3  MET  14           HB1      MET  14  -1.481   5.743   5.607
  288    HG2  MET  14           HG2      MET  14   0.312   6.451   4.129
  289    HG3  MET  14           HG1      MET  14  -0.670   6.041   2.724
  290    HE1  MET  14           HE1      MET  14  -0.463  10.014   2.846
  291    HE2  MET  14           HE2      MET  14  -0.037   8.580   1.912
  292    HE3  MET  14           HE3      MET  14   0.772   8.906   3.445
  293    H    THR  15           HN       THR  15  -0.304   4.248   6.944
  294    HA   THR  15           HA       THR  15   2.386   4.990   6.821
  295    HB   THR  15           HB       THR  15   1.195   3.411   9.100
  296    HG1  THR  15           HG1      THR  15  -0.269   5.077   8.572
  297   HG21  THR  15          HG21      THR  15   2.666   4.815  10.466
  298   HG22  THR  15          HG22      THR  15   3.240   5.634   9.013
  299   HG23  THR  15          HG23      THR  15   3.588   3.923   9.256
  300    H    ASP  16           HN       ASP  16   0.906   1.801   7.025
  301    HA   ASP  16           HA       ASP  16   3.165   0.252   7.504
  302    HB2  ASP  16           HB2      ASP  16   0.872  -0.612   5.738
  303    HB3  ASP  16           HB1      ASP  16   1.910  -1.631   6.725
  304    H    LEU  17           HN       LEU  17   1.702   1.202   4.392
  305    HA   LEU  17           HA       LEU  17   3.798  -0.046   2.888
  306    HB2  LEU  17           HB2      LEU  17   2.779   0.944   0.930
  307    HB3  LEU  17           HB1      LEU  17   1.560   0.204   1.946
  308    HG   LEU  17           HG       LEU  17   1.460   2.773   2.827
  309   HD11  LEU  17          HD11      LEU  17   1.741   3.081  -0.135
  310   HD12  LEU  17          HD12      LEU  17   3.134   3.269   0.930
  311   HD13  LEU  17          HD13      LEU  17   1.730   4.319   1.121
  312   HD21  LEU  17          HD21      LEU  17  -0.544   2.974   1.402
  313   HD22  LEU  17          HD22      LEU  17  -0.452   1.423   2.235
  314   HD23  LEU  17          HD23      LEU  17  -0.037   1.531   0.524
  315    H    SER  18           HN       SER  18   3.280   3.106   4.260
  316    HA   SER  18           HA       SER  18   5.174   4.544   2.722
  317    HB2  SER  18           HB2      SER  18   4.232   5.033   5.563
  318    HB3  SER  18           HB1      SER  18   5.118   6.189   4.568
  319    HG   SER  18           HG       SER  18   2.563   5.085   3.982
  320    H    ALA  19           HN       ALA  19   5.469   2.255   5.292
  321    HA   ALA  19           HA       ALA  19   8.045   2.965   6.229
  322    HB1  ALA  19           HB1      ALA  19   6.562   1.471   7.479
  323    HB2  ALA  19           HB2      ALA  19   8.120   0.705   7.166
  324    HB3  ALA  19           HB3      ALA  19   6.708   0.257   6.208
  325    H    LEU  20           HN       LEU  20   6.882   1.245   3.456
  326    HA   LEU  20           HA       LEU  20   9.455   0.129   2.738
  327    HB2  LEU  20           HB2      LEU  20   6.729   0.192   1.483
  328    HB3  LEU  20           HB1      LEU  20   8.119  -0.245   0.511
  329    HG   LEU  20           HG       LEU  20   8.590  -2.074   2.181
  330   HD11  LEU  20          HD11      LEU  20   7.302  -1.178   4.053
  331   HD12  LEU  20          HD12      LEU  20   6.758  -2.798   3.616
  332   HD13  LEU  20          HD13      LEU  20   5.813  -1.390   3.132
  333   HD21  LEU  20          HD21      LEU  20   7.559  -2.523   0.028
  334   HD22  LEU  20          HD22      LEU  20   5.969  -2.157   0.698
  335   HD23  LEU  20          HD23      LEU  20   6.868  -3.560   1.276
  336    H    CYS  21           HN       CYS  21   7.711   3.006   2.347
  337    HA   CYS  21           HA       CYS  21   8.956   3.936  -0.055
  338    HB2  CYS  21           HB2      CYS  21   7.314   5.316   2.073
  339    HB3  CYS  21           HB1      CYS  21   7.871   6.110   0.610
  340    HN1  NH2  22           H1       NH2  22   9.431   4.424   3.396
  341    HN2  NH2  22           H2       NH2  22  10.939   5.259   3.265
  Start of MODEL   10
    1    H1   LYS   1           HN       LYS   1  -7.610  -2.546  14.449
    2    HA   LYS   1           HA       LYS   1  -6.962   0.171  14.459
    3    HB2  LYS   1           HB2      LYS   1  -4.997   0.138  12.918
    4    HB3  LYS   1           HB1      LYS   1  -4.639  -0.473  14.525
    5    HG2  LYS   1           HG2      LYS   1  -3.565  -2.024  13.234
    6    HG3  LYS   1           HG1      LYS   1  -5.138  -2.799  13.419
    7    HD2  LYS   1           HD2      LYS   1  -5.812  -1.779  11.238
    8    HD3  LYS   1           HD1      LYS   1  -4.153  -1.209  11.051
    9    HE2  LYS   1           HE2      LYS   1  -3.308  -3.377  10.839
   10    HE3  LYS   1           HE1      LYS   1  -4.752  -4.106  11.540
   11    HZ1  LYS   1           HZ1      LYS   1  -4.710  -2.710   8.917
   12    HZ2  LYS   1           HZ2      LYS   1  -5.981  -3.615   9.580
   13    HZ3  LYS   1           HZ3      LYS   1  -4.556  -4.393   9.104
   14    H    GLU   2           HN       GLU   2  -7.014   1.077  12.179
   15    HA   GLU   2           HA       GLU   2  -8.575  -0.672  10.412
   16    HB2  GLU   2           HB2      GLU   2 -10.117   0.894  11.438
   17    HB3  GLU   2           HB1      GLU   2  -9.074   2.248  11.029
   18    HG2  GLU   2           HG2      GLU   2 -10.979   2.154   9.541
   19    HG3  GLU   2           HG1      GLU   2  -9.486   1.858   8.655
   20    H    SER   3           HN       SER   3  -8.094  -0.576   8.273
   21    HA   SER   3           HA       SER   3  -6.104   1.376   7.377
   22    HB2  SER   3           HB2      SER   3  -5.840  -1.577   6.787
   23    HB3  SER   3           HB1      SER   3  -4.678  -0.301   6.429
   24    HG   SER   3           HG       SER   3  -3.932  -0.429   8.396
   25    H    VAL   4           HN       VAL   4  -5.709   0.549   4.815
   26    HA   VAL   4           HA       VAL   4  -8.419   0.755   3.693
   27    HB   VAL   4           HB       VAL   4  -5.967   1.189   2.037
   28   HG11  VAL   4          HG11      VAL   4  -8.700   2.463   2.066
   29   HG12  VAL   4          HG12      VAL   4  -8.144   1.209   0.959
   30   HG13  VAL   4          HG13      VAL   4  -7.416   2.814   0.909
   31   HG21  VAL   4          HG21      VAL   4  -5.891   3.553   2.686
   32   HG22  VAL   4          HG22      VAL   4  -5.512   2.492   4.043
   33   HG23  VAL   4          HG23      VAL   4  -7.103   3.245   3.931
   34    H    ARG   5           HN       ARG   5  -8.890  -0.488   1.735
   35    HA   ARG   5           HA       ARG   5  -7.404  -3.026   1.710
   36    HB2  ARG   5           HB2      ARG   5 -10.317  -2.429   1.258
   37    HB3  ARG   5           HB1      ARG   5  -9.591  -3.906   0.640
   38    HG2  ARG   5           HG2      ARG   5 -10.390  -4.644   2.646
   39    HG3  ARG   5           HG1      ARG   5  -8.760  -4.159   3.118
   40    HD2  ARG   5           HD2      ARG   5  -9.917  -1.851   3.573
   41    HD3  ARG   5           HD1      ARG   5 -11.376  -2.836   3.673
   42    HE   ARG   5           HE       ARG   5  -9.424  -4.025   5.280
   43   HH11  ARG   5          HH11      ARG   5 -11.366  -1.116   5.186
   44   HH12  ARG   5          HH12      ARG   5 -11.306  -0.853   6.905
   45   HH21  ARG   5          HH21      ARG   5  -9.336  -3.689   7.539
   46   HH22  ARG   5          HH22      ARG   5 -10.144  -2.301   8.236
   47    H    LEU   6           HN       LEU   6  -5.916  -2.639   0.157
   48    HA   LEU   6           HA       LEU   6  -6.887  -1.826  -2.500
   49    HB2  LEU   6           HB2      LEU   6  -4.109  -1.769  -1.315
   50    HB3  LEU   6           HB1      LEU   6  -4.465  -1.407  -2.990
   51    HG   LEU   6           HG       LEU   6  -4.307   0.704  -2.129
   52   HD11  LEU   6          HD11      LEU   6  -6.513   1.669  -1.847
   53   HD12  LEU   6          HD12      LEU   6  -7.197   0.068  -1.568
   54   HD13  LEU   6          HD13      LEU   6  -6.517   0.474  -3.143
   55   HD21  LEU   6          HD21      LEU   6  -3.879   0.038   0.163
   56   HD22  LEU   6          HD22      LEU   6  -5.599  -0.263   0.414
   57   HD23  LEU   6          HD23      LEU   6  -5.026   1.377   0.107
   58    H    CYS   7           HN       CYS   7  -7.039  -3.375  -3.998
   59    HA   CYS   7           HA       CYS   7  -5.664  -5.920  -3.492
   60    HB2  CYS   7           HB2      CYS   7  -8.180  -5.213  -4.968
   61    HB3  CYS   7           HB1      CYS   7  -7.360  -6.745  -5.259
   62    H    GLY   8           HN       GLY   8  -3.974  -6.429  -4.663
   63    HA2  GLY   8           HA2      GLY   8  -2.385  -6.460  -6.311
   64    HA3  GLY   8           HA1      GLY   8  -3.759  -6.542  -7.395
   65    H    LEU   9           HN       LEU   9  -4.146  -4.901  -8.720
   66    HA   LEU   9           HA       LEU   9  -2.212  -3.030  -9.333
   67    HB2  LEU   9           HB2      LEU   9  -5.175  -2.895  -9.887
   68    HB3  LEU   9           HB1      LEU   9  -3.959  -1.909 -10.677
   69    HG   LEU   9           HG       LEU   9  -4.101  -4.921 -10.851
   70   HD11  LEU   9          HD11      LEU   9  -4.881  -4.550 -13.140
   71   HD12  LEU   9          HD12      LEU   9  -4.928  -2.812 -12.841
   72   HD13  LEU   9          HD13      LEU   9  -6.007  -3.889 -11.955
   73   HD21  LEU   9          HD21      LEU   9  -2.491  -4.604 -12.697
   74   HD22  LEU   9          HD22      LEU   9  -1.844  -4.107 -11.134
   75   HD23  LEU   9          HD23      LEU   9  -2.394  -2.891 -12.288
   76    H    GLU  10           HN       GLU  10  -5.084  -2.655  -7.305
   77    HA   GLU  10           HA       GLU  10  -4.838   0.119  -6.886
   78    HB2  GLU  10           HB2      GLU  10  -6.000  -1.860  -4.922
   79    HB3  GLU  10           HB1      GLU  10  -6.402  -0.157  -5.092
   80    HG2  GLU  10           HG2      GLU  10  -7.142  -2.446  -6.874
   81    HG3  GLU  10           HG1      GLU  10  -8.193  -1.286  -6.063
   82    H    TYR  11           HN       TYR  11  -3.564  -2.670  -5.150
   83    HA   TYR  11           HA       TYR  11  -2.406  -1.240  -2.998
   84    HB2  TYR  11           HB2      TYR  11  -2.797  -3.604  -2.764
   85    HB3  TYR  11           HB1      TYR  11  -1.818  -3.963  -4.180
   86    HD1  TYR  11           HD2      TYR  11  -1.683  -2.804  -0.667
   87    HD2  TYR  11           HD1      TYR  11   0.532  -4.242  -4.003
   88    HE1  TYR  11           HE2      TYR  11   0.281  -3.117   0.777
   89    HE2  TYR  11           HE1      TYR  11   2.501  -4.560  -2.567
   90    HH   TYR  11           HH       TYR  11   2.338  -4.390   0.840
   91    H    ILE  12           HN       ILE  12  -0.991  -2.652  -5.922
   92    HA   ILE  12           HA       ILE  12   1.620  -1.764  -5.617
   93    HB   ILE  12           HB       ILE  12   0.066  -2.156  -8.180
   94   HG12  ILE  12          HG12      ILE  12   1.978  -4.097  -6.896
   95   HG13  ILE  12          HG11      ILE  12   0.263  -4.084  -6.494
   96   HG21  ILE  12          HG21      ILE  12   3.046  -2.075  -7.716
   97   HG22  ILE  12          HG22      ILE  12   2.091  -0.870  -8.579
   98   HG23  ILE  12          HG23      ILE  12   2.255  -2.499  -9.234
   99   HD11  ILE  12          HD11      ILE  12  -0.275  -4.467  -8.852
  100   HD12  ILE  12          HD12      ILE  12   0.723  -5.753  -8.171
  101   HD13  ILE  12          HD13      ILE  12   1.449  -4.533  -9.219
  102    H    ARG  13           HN       ARG  13  -1.082  -0.182  -7.295
  103    HA   ARG  13           HA       ARG  13   0.294   2.050  -8.258
  104    HB2  ARG  13           HB2      ARG  13  -2.134   1.186  -8.684
  105    HB3  ARG  13           HB1      ARG  13  -2.551   2.247  -7.347
  106    HG2  ARG  13           HG2      ARG  13  -1.619   4.149  -8.559
  107    HG3  ARG  13           HG1      ARG  13  -1.190   3.083  -9.900
  108    HD2  ARG  13           HD2      ARG  13  -3.943   3.787  -8.904
  109    HD3  ARG  13           HD1      ARG  13  -3.238   4.154 -10.477
  110    HE   ARG  13           HE       ARG  13  -3.331   1.758 -10.959
  111   HH11  ARG  13          HH11      ARG  13  -5.306   2.947  -8.322
  112   HH12  ARG  13          HH12      ARG  13  -6.418   1.607  -8.373
  113   HH21  ARG  13          HH21      ARG  13  -4.814   0.004 -11.035
  114   HH22  ARG  13          HH22      ARG  13  -6.125  -0.069  -9.890
  115    H    THR  14           HN       THR  14  -1.422   1.588  -5.187
  116    HA   THR  14           HA       THR  14  -1.028   4.234  -4.264
  117    HB   THR  14           HB       THR  14  -1.459   1.767  -2.568
  118    HG1  THR  14           HG1      THR  14  -3.181   1.763  -3.917
  119   HG21  THR  14          HG21      THR  14  -0.830   3.782  -1.313
  120   HG22  THR  14          HG22      THR  14  -2.508   3.336  -1.006
  121   HG23  THR  14          HG23      THR  14  -2.136   4.675  -2.092
  122    H    VAL  15           HN       VAL  15   0.798   1.224  -3.828
  123    HA   VAL  15           HA       VAL  15   2.628   2.221  -1.928
  124    HB   VAL  15           HB       VAL  15   2.913  -0.042  -3.909
  125   HG11  VAL  15          HG11      VAL  15   4.806  -0.807  -2.558
  126   HG12  VAL  15          HG12      VAL  15   4.695   0.651  -1.573
  127   HG13  VAL  15          HG13      VAL  15   5.129   0.770  -3.278
  128   HG21  VAL  15          HG21      VAL  15   2.324  -0.016  -0.951
  129   HG22  VAL  15          HG22      VAL  15   2.500  -1.454  -1.957
  130   HG23  VAL  15          HG23      VAL  15   1.160  -0.341  -2.235
  131    H    ILE  16           HN       ILE  16   3.007   1.817  -5.469
  132    HA   ILE  16           HA       ILE  16   5.572   2.958  -5.583
  133    HB   ILE  16           HB       ILE  16   5.204   3.267  -7.991
  134   HG12  ILE  16          HG12      ILE  16   2.387   2.305  -7.436
  135   HG13  ILE  16          HG11      ILE  16   2.824   3.951  -7.882
  136   HG21  ILE  16          HG21      ILE  16   4.227   0.630  -6.905
  137   HG22  ILE  16          HG22      ILE  16   5.908   1.104  -7.155
  138   HG23  ILE  16          HG23      ILE  16   4.833   0.902  -8.539
  139   HD11  ILE  16          HD11      ILE  16   3.676   3.116 -10.029
  140   HD12  ILE  16          HD12      ILE  16   1.964   2.764  -9.793
  141   HD13  ILE  16          HD13      ILE  16   3.164   1.489  -9.578
  142    H    TYR  17           HN       TYR  17   2.390   4.439  -5.631
  143    HA   TYR  17           HA       TYR  17   3.183   6.997  -6.512
  144    HB2  TYR  17           HB2      TYR  17   0.818   6.176  -6.395
  145    HB3  TYR  17           HB1      TYR  17   0.894   6.345  -4.645
  146    HD1  TYR  17           HD1      TYR  17   1.088   8.239  -7.826
  147    HD2  TYR  17           HD2      TYR  17   0.517   8.436  -3.614
  148    HE1  TYR  17           HE1      TYR  17   0.405  10.592  -8.034
  149    HE2  TYR  17           HE2      TYR  17  -0.168  10.789  -3.811
  150    HH   TYR  17           HH       TYR  17   0.226  12.688  -5.455
  151    H    ILE  18           HN       ILE  18   2.702   5.691  -3.238
  152    HA   ILE  18           HA       ILE  18   3.507   8.039  -1.877
  153    HB   ILE  18           HB       ILE  18   3.578   5.175  -0.911
  154   HG12  ILE  18          HG12      ILE  18   1.469   7.272  -0.388
  155   HG13  ILE  18          HG11      ILE  18   1.341   6.077  -1.676
  156   HG21  ILE  18          HG21      ILE  18   3.648   7.758   0.647
  157   HG22  ILE  18          HG22      ILE  18   4.982   6.621   0.454
  158   HG23  ILE  18          HG23      ILE  18   3.536   6.141   1.342
  159   HD11  ILE  18          HD11      ILE  18   0.116   5.499   0.409
  160   HD12  ILE  18          HD12      ILE  18   1.676   5.375   1.226
  161   HD13  ILE  18          HD13      ILE  18   1.290   4.289  -0.108
  162    H    CYS  19           HN       CYS  19   5.225   5.062  -2.733
  163    HA   CYS  19           HA       CYS  19   7.653   5.687  -1.496
  164    HB2  CYS  19           HB2      CYS  19   7.036   3.891  -3.836
  165    HB3  CYS  19           HB1      CYS  19   8.614   3.971  -3.058
  166    H    ALA  20           HN       ALA  20   6.322   6.883  -4.451
  167    HA   ALA  20           HA       ALA  20   8.939   7.820  -5.342
  168    HB1  ALA  20           HB1      ALA  20   7.428   6.862  -7.015
  169    HB2  ALA  20           HB2      ALA  20   7.813   8.547  -7.367
  170    HB3  ALA  20           HB3      ALA  20   6.249   8.127  -6.667
  171    H    SER  21           HN       SER  21   5.727   9.261  -4.756
  172    HA   SER  21           HA       SER  21   6.464  11.920  -4.970
  173    HB2  SER  21           HB2      SER  21   4.371  10.923  -3.048
  174    HB3  SER  21           HB1      SER  21   4.404  12.454  -3.923
  175    HG   SER  21           HG       SER  21   3.815   9.868  -4.863
  176    H    SER  22           HN       SER  22   6.619   9.835  -2.100
  177    HA   SER  22           HA       SER  22   7.396  12.010  -0.389
  178    HB2  SER  22           HB2      SER  22   7.732   9.097   0.283
  179    HB3  SER  22           HB1      SER  22   7.386  10.448   1.364
  180    HG   SER  22           HG       SER  22   5.679   8.956  -0.234
  181    H    ARG  23           HN       ARG  23   9.066  10.664  -2.801
  182    HA   ARG  23           HA       ARG  23  11.605  10.921  -1.337
  183    HB2  ARG  23           HB2      ARG  23  12.446   9.012  -2.204
  184    HB3  ARG  23           HB1      ARG  23  10.751   8.583  -2.359
  185    HG2  ARG  23           HG2      ARG  23  10.823   9.419  -4.704
  186    HG3  ARG  23           HG1      ARG  23  12.565   9.637  -4.514
  187    HD2  ARG  23           HD2      ARG  23  11.017   7.057  -4.320
  188    HD3  ARG  23           HD1      ARG  23  12.154   7.520  -5.583
  189    HE   ARG  23           HE       ARG  23  13.935   7.279  -4.002
  190   HH11  ARG  23          HH11      ARG  23  10.824   6.139  -2.848
  191   HH12  ARG  23          HH12      ARG  23  11.515   5.091  -1.642
  192   HH21  ARG  23          HH21      ARG  23  14.838   5.893  -2.405
  193   HH22  ARG  23          HH22      ARG  23  13.787   4.954  -1.396
  194    H    TRP  24           HN       TRP  24   9.647  12.128  -3.773
  195    HA   TRP  24           HA       TRP  24  11.887  13.156  -5.343
  196    HB2  TRP  24           HB2      TRP  24   8.899  13.266  -5.777
  197    HB3  TRP  24           HB1      TRP  24  10.050  14.116  -6.799
  198    HD1  TRP  24           HD1      TRP  24   8.034  11.304  -7.150
  199    HE1  TRP  24           HE1      TRP  24   9.084   9.428  -8.562
  200    HE3  TRP  24           HE3      TRP  24  12.928  12.773  -6.958
  201    HZ2  TRP  24           HZ2      TRP  24  11.642   8.667  -9.470
  202    HZ3  TRP  24           HZ3      TRP  24  14.613  11.415  -8.124
  203    HH2  TRP  24           HH2      TRP  24  13.982   9.403  -9.354
  204    HN1  NH2  25           H1       NH2  25  12.547  14.383  -3.411
  205    HN2  NH2  25           H2       NH2  25  11.851  15.944  -3.154
  206    H1   PCA   1           HN       PCA   1  -1.936 -12.646   4.809
  207    HA   PCA   1           HA       PCA   1   0.108 -13.963   5.506
  208    HB2  PCA   1           HB2      PCA   1   0.533 -15.061   2.871
  209    HB3  PCA   1           HB1      PCA   1   0.250 -15.932   4.393
  210    HG2  PCA   1           HG2      PCA   1  -1.576 -15.557   2.225
  211    HG3  PCA   1           HG1      PCA   1  -1.857 -16.398   3.768
  212    H    ASP   2           HN       ASP   2  -0.282 -13.029   2.113
  213    HA   ASP   2           HA       ASP   2   2.199 -11.587   2.092
  214    HB2  ASP   2           HB2      ASP   2   1.875 -12.489   0.009
  215    HB3  ASP   2           HB1      ASP   2   0.129 -12.307   0.087
  216    H    LEU   3           HN       LEU   3   2.438  -9.323   1.745
  217    HA   LEU   3           HA       LEU   3   0.865  -7.715   3.398
  218    HB2  LEU   3           HB2      LEU   3   3.228  -7.431   1.972
  219    HB3  LEU   3           HB1      LEU   3   2.167  -6.227   1.266
  220    HG   LEU   3           HG       LEU   3   2.595  -6.431   4.234
  221   HD11  LEU   3          HD11      LEU   3   4.775  -6.091   3.321
  222   HD12  LEU   3          HD12      LEU   3   4.198  -4.545   3.943
  223   HD13  LEU   3          HD13      LEU   3   4.173  -4.863   2.208
  224   HD21  LEU   3          HD21      LEU   3   0.629  -5.181   3.456
  225   HD22  LEU   3          HD22      LEU   3   1.680  -4.158   2.477
  226   HD23  LEU   3          HD23      LEU   3   1.815  -4.134   4.235
  227    H    GLN   4           HN       GLN   4   0.849  -8.040  -0.129
  228    HA   GLN   4           HA       GLN   4  -1.250  -6.155  -0.544
  229    HB2  GLN   4           HB2      GLN   4   0.056  -6.517  -2.439
  230    HB3  GLN   4           HB1      GLN   4   0.098  -8.256  -2.202
  231    HG2  GLN   4           HG2      GLN   4  -2.533  -7.898  -2.654
  232    HG3  GLN   4           HG1      GLN   4  -1.861  -6.578  -3.611
  233   HE21  GLN   4          HE21      GLN   4  -0.280  -9.668  -3.004
  234   HE22  GLN   4          HE22      GLN   4  -0.339 -10.211  -4.646
  235    H    THR   5           HN       THR   5  -1.091  -9.671  -0.411
  236    HA   THR   5           HA       THR   5  -3.745 -10.312  -0.868
  237    HB   THR   5           HB       THR   5  -1.713 -11.709   0.898
  238    HG1  THR   5           HG1      THR   5  -1.108 -11.459  -1.320
  239   HG21  THR   5          HG21      THR   5  -4.267 -12.783  -0.329
  240   HG22  THR   5          HG22      THR   5  -3.994 -12.487   1.388
  241   HG23  THR   5          HG23      THR   5  -3.064 -13.729   0.549
  242    H    LEU   6           HN       LEU   6  -2.141  -9.646   2.248
  243    HA   LEU   6           HA       LEU   6  -4.573  -9.981   3.728
  244    HB2  LEU   6           HB2      LEU   6  -2.241 -10.374   4.602
  245    HB3  LEU   6           HB1      LEU   6  -2.061  -8.638   4.684
  246    HG   LEU   6           HG       LEU   6  -4.216  -8.762   6.143
  247   HD11  LEU   6          HD11      LEU   6  -4.376 -10.820   7.447
  248   HD12  LEU   6          HD12      LEU   6  -3.135 -11.556   6.434
  249   HD13  LEU   6          HD13      LEU   6  -4.692 -11.109   5.736
  250   HD21  LEU   6          HD21      LEU   6  -1.529  -9.680   7.152
  251   HD22  LEU   6          HD22      LEU   6  -2.833  -9.033   8.147
  252   HD23  LEU   6          HD23      LEU   6  -2.048  -8.007   6.946
  253    H    CYS   7           HN       CYS   7  -3.278  -7.424   1.888
  254    HA   CYS   7           HA       CYS   7  -4.400  -5.287   3.422
  255    HB2  CYS   7           HB2      CYS   7  -2.564  -4.863   1.831
  256    HB3  CYS   7           HB1      CYS   7  -3.614  -5.326   0.495
  257    H    CYS   8           HN       CYS   8  -5.569  -7.529   1.069
  258    HA   CYS   8           HA       CYS   8  -7.985  -6.048   0.515
  259    HB2  CYS   8           HB2      CYS   8  -7.120  -8.855  -0.201
  260    HB3  CYS   8           HB1      CYS   8  -8.645  -8.141  -0.707
  261    H    THR   9           HN       THR   9  -6.889  -8.433   2.762
  262    HA   THR   9           HA       THR   9  -9.597  -9.105   3.608
  263    HB   THR   9           HB       THR   9  -8.162 -10.498   5.333
  264    HG1  THR   9           HG1      THR   9  -6.255 -10.921   3.500
  265   HG21  THR   9          HG21      THR   9  -9.575 -11.488   3.607
  266   HG22  THR   9          HG22      THR   9  -8.033 -12.338   3.709
  267   HG23  THR   9          HG23      THR   9  -8.323 -11.194   2.400
  268    H    ASP  10           HN       ASP  10  -6.650  -8.437   5.472
  269    HA   ASP  10           HA       ASP  10  -8.112  -7.232   7.623
  270    HB2  ASP  10           HB2      ASP  10  -6.070  -8.391   8.165
  271    HB3  ASP  10           HB1      ASP  10  -5.168  -7.449   6.988
  272    H    GLY  11           HN       GLY  11  -5.722  -6.017   5.310
  273    HA2  GLY  11           HA2      GLY  11  -6.335  -3.941   4.098
  274    HA3  GLY  11           HA1      GLY  11  -6.883  -3.323   5.652
  275    H    CYS  12           HN       CYS  12  -4.611  -2.730   3.578
  276    HA   CYS  12           HA       CYS  12  -2.388  -2.741   5.485
  277    HB2  CYS  12           HB2      CYS  12  -0.956  -2.207   3.548
  278    HB3  CYS  12           HB1      CYS  12  -1.853  -3.699   3.317
  279    H    SER  13           HN       SER  13  -1.421  -0.894   6.184
  280    HA   SER  13           HA       SER  13  -2.981   1.552   5.772
  281    HB2  SER  13           HB2      SER  13  -0.810   1.545   7.771
  282    HB3  SER  13           HB1      SER  13  -2.484   2.082   7.924
  283    HG   SER  13           HG       SER  13  -1.418  -0.532   8.162
  284    H    MET  14           HN       MET  14  -1.811   3.599   5.600
  285    HA   MET  14           HA       MET  14  -0.026   3.659   3.460
  286    HB2  MET  14           HB2      MET  14  -1.502   5.529   4.334
  287    HB3  MET  14           HB1      MET  14  -0.284   5.804   5.563
  288    HG2  MET  14           HG2      MET  14   1.373   6.246   3.810
  289    HG3  MET  14           HG1      MET  14   0.119   6.024   2.591
  290    HE1  MET  14           HE1      MET  14   0.852   8.441   1.628
  291    HE2  MET  14           HE2      MET  14   2.022   8.626   2.935
  292    HE3  MET  14           HE3      MET  14   0.856   9.908   2.608
  293    H    THR  15           HN       THR  15   0.500   3.735   6.888
  294    HA   THR  15           HA       THR  15   3.208   4.379   7.009
  295    HB   THR  15           HB       THR  15   3.010   2.760   9.122
  296    HG1  THR  15           HG1      THR  15   1.070   1.834   8.954
  297   HG21  THR  15          HG21      THR  15   3.274   5.188   9.238
  298   HG22  THR  15          HG22      THR  15   2.045   4.644  10.380
  299   HG23  THR  15          HG23      THR  15   1.564   5.403   8.863
  300    H    ASP  16           HN       ASP  16   1.623   1.230   6.827
  301    HA   ASP  16           HA       ASP  16   3.892  -0.389   6.890
  302    HB2  ASP  16           HB2      ASP  16   1.560  -1.247   5.233
  303    HB3  ASP  16           HB1      ASP  16   2.487  -2.160   6.413
  304    H    LEU  17           HN       LEU  17   2.243   1.199   4.220
  305    HA   LEU  17           HA       LEU  17   3.782  -0.034   2.160
  306    HB2  LEU  17           HB2      LEU  17   2.529   2.667   1.850
  307    HB3  LEU  17           HB1      LEU  17   2.705   1.392   0.662
  308    HG   LEU  17           HG       LEU  17   0.754   1.436   2.964
  309   HD11  LEU  17          HD11      LEU  17   0.129   2.922   1.178
  310   HD12  LEU  17          HD12      LEU  17  -0.915   1.500   1.157
  311   HD13  LEU  17          HD13      LEU  17   0.396   1.653  -0.015
  312   HD21  LEU  17          HD21      LEU  17   1.545  -0.834   2.537
  313   HD22  LEU  17          HD22      LEU  17   1.153  -0.653   0.827
  314   HD23  LEU  17          HD23      LEU  17  -0.132  -0.630   2.034
  315    H    SER  18           HN       SER  18   4.009   2.983   3.964
  316    HA   SER  18           HA       SER  18   6.106   4.162   2.513
  317    HB2  SER  18           HB2      SER  18   5.493   4.492   5.463
  318    HB3  SER  18           HB1      SER  18   6.399   5.613   4.447
  319    HG   SER  18           HG       SER  18   3.689   4.877   4.008
  320    H    ALA  19           HN       ALA  19   6.062   1.619   4.867
  321    HA   ALA  19           HA       ALA  19   8.776   1.737   5.669
  322    HB1  ALA  19           HB1      ALA  19   6.913  -0.637   5.602
  323    HB2  ALA  19           HB2      ALA  19   7.087   0.502   6.937
  324    HB3  ALA  19           HB3      ALA  19   8.436  -0.540   6.486
  325    H    LEU  20           HN       LEU  20   7.143   0.483   2.871
  326    HA   LEU  20           HA       LEU  20   9.468  -1.037   1.980
  327    HB2  LEU  20           HB2      LEU  20   6.990  -0.457   0.373
  328    HB3  LEU  20           HB1      LEU  20   8.108  -1.796   0.197
  329    HG   LEU  20           HG       LEU  20   6.364  -1.466   2.630
  330   HD11  LEU  20          HD11      LEU  20   4.786  -2.982   1.635
  331   HD12  LEU  20          HD12      LEU  20   5.768  -3.110   0.176
  332   HD13  LEU  20          HD13      LEU  20   4.983  -1.583   0.580
  333   HD21  LEU  20          HD21      LEU  20   6.792  -3.862   2.885
  334   HD22  LEU  20          HD22      LEU  20   8.293  -2.937   2.878
  335   HD23  LEU  20          HD23      LEU  20   7.805  -3.836   1.441
  336    H    CYS  21           HN       CYS  21   8.366   2.096   1.921
  337    HA   CYS  21           HA       CYS  21   9.361   2.856  -0.672
  338    HB2  CYS  21           HB2      CYS  21   8.350   4.477   1.669
  339    HB3  CYS  21           HB1      CYS  21   8.780   5.156   0.105
  340    HN1  NH2  22           H1       NH2  22  10.575   2.650   2.539
  341    HN2  NH2  22           H2       NH2  22  12.107   3.393   2.249
  Start of MODEL   11
    1    H1   LYS   1           HN       LYS   1  -6.254  -3.692  13.795
    2    HA   LYS   1           HA       LYS   1  -5.412  -1.045  14.404
    3    HB2  LYS   1           HB2      LYS   1  -3.472  -0.993  12.838
    4    HB3  LYS   1           HB1      LYS   1  -3.186  -1.964  14.275
    5    HG2  LYS   1           HG2      LYS   1  -2.676  -3.715  13.021
    6    HG3  LYS   1           HG1      LYS   1  -4.255  -3.646  12.238
    7    HD2  LYS   1           HD2      LYS   1  -3.173  -1.723  10.847
    8    HD3  LYS   1           HD1      LYS   1  -1.653  -2.450  11.374
    9    HE2  LYS   1           HE2      LYS   1  -2.131  -3.457   9.305
   10    HE3  LYS   1           HE1      LYS   1  -2.588  -4.653  10.517
   11    HZ1  LYS   1           HZ1      LYS   1  -4.320  -4.606   8.951
   12    HZ2  LYS   1           HZ2      LYS   1  -4.369  -2.907   8.921
   13    HZ3  LYS   1           HZ3      LYS   1  -4.911  -3.744  10.287
   14    H    GLU   2           HN       GLU   2  -6.529   0.265  13.105
   15    HA   GLU   2           HA       GLU   2  -7.975  -0.856  10.880
   16    HB2  GLU   2           HB2      GLU   2  -9.079   0.743  12.383
   17    HB3  GLU   2           HB1      GLU   2  -7.908   1.977  11.941
   18    HG2  GLU   2           HG2      GLU   2  -9.973   2.350  10.762
   19    HG3  GLU   2           HG1      GLU   2  -8.709   1.892   9.622
   20    H    SER   3           HN       SER   3  -7.564  -0.590   8.779
   21    HA   SER   3           HA       SER   3  -5.514   1.307   7.929
   22    HB2  SER   3           HB2      SER   3  -5.432  -1.594   7.088
   23    HB3  SER   3           HB1      SER   3  -4.226  -0.347   6.778
   24    HG   SER   3           HG       SER   3  -3.595  -0.406   8.876
   25    H    VAL   4           HN       VAL   4  -5.340   1.027   5.356
   26    HA   VAL   4           HA       VAL   4  -8.092   1.278   4.413
   27    HB   VAL   4           HB       VAL   4  -5.900   1.703   2.489
   28   HG11  VAL   4          HG11      VAL   4  -7.255   3.651   1.895
   29   HG12  VAL   4          HG12      VAL   4  -8.315   3.327   3.267
   30   HG13  VAL   4          HG13      VAL   4  -8.218   2.173   1.936
   31   HG21  VAL   4          HG21      VAL   4  -5.332   3.932   3.386
   32   HG22  VAL   4          HG22      VAL   4  -4.823   2.626   4.456
   33   HG23  VAL   4          HG23      VAL   4  -6.267   3.565   4.836
   34    H    ARG   5           HN       ARG   5  -8.915   0.052   2.708
   35    HA   ARG   5           HA       ARG   5  -7.506  -2.486   2.317
   36    HB2  ARG   5           HB2      ARG   5 -10.414  -1.738   2.155
   37    HB3  ARG   5           HB1      ARG   5  -9.814  -3.226   1.437
   38    HG2  ARG   5           HG2      ARG   5 -10.451  -4.001   3.482
   39    HG3  ARG   5           HG1      ARG   5  -8.776  -3.573   3.832
   40    HD2  ARG   5           HD2      ARG   5  -9.805  -1.255   4.456
   41    HD3  ARG   5           HD1      ARG   5 -11.299  -2.176   4.615
   42    HE   ARG   5           HE       ARG   5  -9.258  -3.487   6.041
   43   HH11  ARG   5          HH11      ARG   5 -11.212  -0.586   6.203
   44   HH12  ARG   5          HH12      ARG   5 -11.065  -0.416   7.929
   45   HH21  ARG   5          HH21      ARG   5  -9.078  -3.285   8.309
   46   HH22  ARG   5          HH22      ARG   5  -9.861  -1.954   9.126
   47    H    LEU   6           HN       LEU   6  -6.196  -2.248   0.628
   48    HA   LEU   6           HA       LEU   6  -7.371  -1.325  -1.913
   49    HB2  LEU   6           HB2      LEU   6  -4.529  -1.173  -0.908
   50    HB3  LEU   6           HB1      LEU   6  -4.960  -0.913  -2.583
   51    HG   LEU   6           HG       LEU   6  -4.814   1.244  -1.840
   52   HD11  LEU   6          HD11      LEU   6  -7.669   0.612  -1.123
   53   HD12  LEU   6          HD12      LEU   6  -7.065   0.876  -2.758
   54   HD13  LEU   6          HD13      LEU   6  -7.016   2.185  -1.578
   55   HD21  LEU   6          HD21      LEU   6  -5.990   0.372   0.791
   56   HD22  LEU   6          HD22      LEU   6  -5.497   2.016   0.384
   57   HD23  LEU   6          HD23      LEU   6  -4.294   0.729   0.463
   58    H    CYS   7           HN       CYS   7  -7.733  -2.971  -3.268
   59    HA   CYS   7           HA       CYS   7  -6.423  -5.510  -2.795
   60    HB2  CYS   7           HB2      CYS   7  -8.512  -4.828  -4.861
   61    HB3  CYS   7           HB1      CYS   7  -8.030  -6.437  -4.331
   62    H    GLY   8           HN       GLY   8  -4.527  -5.891  -3.636
   63    HA2  GLY   8           HA2      GLY   8  -2.748  -5.987  -5.078
   64    HA3  GLY   8           HA1      GLY   8  -3.976  -6.294  -6.289
   65    H    LEU   9           HN       LEU   9  -4.394  -4.799  -7.798
   66    HA   LEU   9           HA       LEU   9  -2.490  -2.945  -8.523
   67    HB2  LEU   9           HB2      LEU   9  -5.424  -2.972  -9.221
   68    HB3  LEU   9           HB1      LEU   9  -4.206  -2.027 -10.055
   69    HG   LEU   9           HG       LEU   9  -4.228  -5.043  -9.912
   70   HD11  LEU   9          HD11      LEU   9  -5.050  -3.195 -12.148
   71   HD12  LEU   9          HD12      LEU   9  -6.122  -4.222 -11.196
   72   HD13  LEU   9          HD13      LEU   9  -4.917  -4.950 -12.258
   73   HD21  LEU   9          HD21      LEU   9  -1.995  -4.180 -10.193
   74   HD22  LEU   9          HD22      LEU   9  -2.535  -3.098 -11.476
   75   HD23  LEU   9          HD23      LEU   9  -2.556  -4.843 -11.728
   76    H    GLU  10           HN       GLU  10  -5.441  -2.429  -6.650
   77    HA   GLU  10           HA       GLU  10  -5.324   0.376  -6.563
   78    HB2  GLU  10           HB2      GLU  10  -6.416  -1.430  -4.398
   79    HB3  GLU  10           HB1      GLU  10  -6.871   0.238  -4.719
   80    HG2  GLU  10           HG2      GLU  10  -7.534  -2.223  -6.289
   81    HG3  GLU  10           HG1      GLU  10  -8.623  -1.024  -5.591
   82    H    TYR  11           HN       TYR  11  -3.885  -2.108  -4.520
   83    HA   TYR  11           HA       TYR  11  -2.813  -0.284  -2.607
   84    HB2  TYR  11           HB2      TYR  11  -3.226  -2.652  -2.055
   85    HB3  TYR  11           HB1      TYR  11  -1.999  -3.136  -3.222
   86    HD1  TYR  11           HD2      TYR  11  -2.110  -0.548  -0.522
   87    HD2  TYR  11           HD1      TYR  11  -0.131  -3.944  -2.145
   88    HE1  TYR  11           HE2      TYR  11  -0.384  -0.365   1.217
   89    HE2  TYR  11           HE1      TYR  11   1.602  -3.771  -0.411
   90    HH   TYR  11           HH       TYR  11   1.275  -2.023   2.346
   91    H    ILE  12           HN       ILE  12  -1.456  -2.105  -5.320
   92    HA   ILE  12           HA       ILE  12   1.177  -1.248  -5.186
   93    HB   ILE  12           HB       ILE  12  -0.478  -1.877  -7.638
   94   HG12  ILE  12          HG12      ILE  12   1.496  -3.643  -6.187
   95   HG13  ILE  12          HG11      ILE  12  -0.232  -3.652  -5.844
   96   HG21  ILE  12          HG21      ILE  12   1.657  -2.299  -8.767
   97   HG22  ILE  12          HG22      ILE  12   2.520  -1.728  -7.339
   98   HG23  ILE  12          HG23      ILE  12   1.507  -0.616  -8.260
   99   HD11  ILE  12          HD11      ILE  12   1.050  -4.303  -8.487
  100   HD12  ILE  12          HD12      ILE  12  -0.682  -4.302  -8.154
  101   HD13  ILE  12          HD13      ILE  12   0.372  -5.459  -7.340
  102    H    ARG  13           HN       ARG  13  -1.593   0.246  -6.803
  103    HA   ARG  13           HA       ARG  13  -0.241   2.386  -8.015
  104    HB2  ARG  13           HB2      ARG  13  -2.722   1.491  -8.203
  105    HB3  ARG  13           HB1      ARG  13  -3.026   2.731  -6.996
  106    HG2  ARG  13           HG2      ARG  13  -2.203   4.442  -8.477
  107    HG3  ARG  13           HG1      ARG  13  -1.734   3.227  -9.669
  108    HD2  ARG  13           HD2      ARG  13  -4.523   3.923  -8.765
  109    HD3  ARG  13           HD1      ARG  13  -3.817   4.201 -10.355
  110    HE   ARG  13           HE       ARG  13  -3.777   1.765 -10.635
  111   HH11  ARG  13          HH11      ARG  13  -5.886   3.089  -8.172
  112   HH12  ARG  13          HH12      ARG  13  -6.936   1.699  -8.134
  113   HH21  ARG  13          HH21      ARG  13  -5.177  -0.056 -10.595
  114   HH22  ARG  13          HH22      ARG  13  -6.521  -0.089  -9.486
  115    H    THR  14           HN       THR  14  -1.723   2.058  -4.826
  116    HA   THR  14           HA       THR  14  -1.329   4.751  -4.031
  117    HB   THR  14           HB       THR  14  -1.579   2.321  -2.244
  118    HG1  THR  14           HG1      THR  14  -3.383   2.328  -3.548
  119   HG21  THR  14          HG21      THR  14  -0.865   4.357  -1.079
  120   HG22  THR  14          HG22      THR  14  -2.510   3.910  -0.626
  121   HG23  THR  14          HG23      THR  14  -2.236   5.232  -1.761
  122    H    VAL  15           HN       VAL  15   0.556   1.787  -3.647
  123    HA   VAL  15           HA       VAL  15   2.547   2.802  -1.945
  124    HB   VAL  15           HB       VAL  15   2.753   0.580  -3.986
  125   HG11  VAL  15          HG11      VAL  15   4.672  -0.202  -2.683
  126   HG12  VAL  15          HG12      VAL  15   4.555   1.225  -1.653
  127   HG13  VAL  15          HG13      VAL  15   4.963   1.400  -3.360
  128   HG21  VAL  15          HG21      VAL  15   2.154   0.531  -1.033
  129   HG22  VAL  15          HG22      VAL  15   2.428  -0.892  -2.036
  130   HG23  VAL  15          HG23      VAL  15   1.036   0.146  -2.340
  131    H    ILE  16           HN       ILE  16   2.654   2.329  -5.491
  132    HA   ILE  16           HA       ILE  16   5.161   3.526  -5.847
  133    HB   ILE  16           HB       ILE  16   4.567   3.776  -8.225
  134   HG12  ILE  16          HG12      ILE  16   1.845   2.788  -7.339
  135   HG13  ILE  16          HG11      ILE  16   2.206   4.386  -7.981
  136   HG21  ILE  16          HG21      ILE  16   3.801   1.136  -6.987
  137   HG22  ILE  16          HG22      ILE  16   5.430   1.665  -7.408
  138   HG23  ILE  16          HG23      ILE  16   4.239   1.383  -8.677
  139   HD11  ILE  16          HD11      ILE  16   2.374   1.769  -9.454
  140   HD12  ILE  16          HD12      ILE  16   2.875   3.327 -10.112
  141   HD13  ILE  16          HD13      ILE  16   1.186   3.051  -9.688
  142    H    TYR  17           HN       TYR  17   1.962   4.952  -5.644
  143    HA   TYR  17           HA       TYR  17   2.610   7.497  -6.665
  144    HB2  TYR  17           HB2      TYR  17   0.290   6.686  -6.335
  145    HB3  TYR  17           HB1      TYR  17   0.519   6.788  -4.593
  146    HD1  TYR  17           HD2      TYR  17   0.483   8.838  -7.694
  147    HD2  TYR  17           HD1      TYR  17   0.106   8.799  -3.456
  148    HE1  TYR  17           HE2      TYR  17  -0.260  11.181  -7.744
  149    HE2  TYR  17           HE1      TYR  17  -0.640  11.141  -3.495
  150    HH   TYR  17           HH       TYR  17  -0.388  13.128  -5.030
  151    H    ILE  18           HN       ILE  18   2.412   6.335  -3.301
  152    HA   ILE  18           HA       ILE  18   3.399   8.764  -2.194
  153    HB   ILE  18           HB       ILE  18   3.143   5.993  -1.024
  154   HG12  ILE  18          HG12      ILE  18   1.580   8.550  -0.590
  155   HG13  ILE  18          HG11      ILE  18   1.037   7.162  -1.525
  156   HG21  ILE  18          HG21      ILE  18   3.940   8.542   0.383
  157   HG22  ILE  18          HG22      ILE  18   4.973   7.140   0.105
  158   HG23  ILE  18          HG23      ILE  18   3.573   7.006   1.169
  159   HD11  ILE  18          HD11      ILE  18   1.785   6.801   1.337
  160   HD12  ILE  18          HD12      ILE  18   0.645   5.889   0.345
  161   HD13  ILE  18          HD13      ILE  18   0.222   7.503   0.917
  162    H    CYS  19           HN       CYS  19   4.896   5.637  -2.950
  163    HA   CYS  19           HA       CYS  19   7.416   6.148  -1.869
  164    HB2  CYS  19           HB2      CYS  19   6.520   4.367  -4.121
  165    HB3  CYS  19           HB1      CYS  19   8.203   4.445  -3.612
  166    H    ALA  20           HN       ALA  20   6.112   6.969  -5.061
  167    HA   ALA  20           HA       ALA  20   8.614   7.921  -6.059
  168    HB1  ALA  20           HB1      ALA  20   5.826   8.529  -7.035
  169    HB2  ALA  20           HB2      ALA  20   6.843   7.194  -7.579
  170    HB3  ALA  20           HB3      ALA  20   7.327   8.860  -7.902
  171    H    SER  21           HN       SER  21   5.723   9.529  -4.750
  172    HA   SER  21           HA       SER  21   6.637  12.154  -5.017
  173    HB2  SER  21           HB2      SER  21   4.860  11.057  -2.852
  174    HB3  SER  21           HB1      SER  21   4.949  12.735  -3.378
  175    HG   SER  21           HG       SER  21   3.874  10.493  -4.716
  176    H    SER  22           HN       SER  22   7.217   9.759  -2.498
  177    HA   SER  22           HA       SER  22   8.677  11.630  -0.837
  178    HB2  SER  22           HB2      SER  22   8.585   8.622  -0.541
  179    HB3  SER  22           HB1      SER  22   8.916   9.823   0.707
  180    HG   SER  22           HG       SER  22   6.457   9.252  -0.579
  181    H    ARG  23           HN       ARG  23   9.415  10.761  -3.654
  182    HA   ARG  23           HA       ARG  23  12.237  10.139  -3.109
  183    HB2  ARG  23           HB2      ARG  23  11.074   8.210  -4.129
  184    HB3  ARG  23           HB1      ARG  23  10.571   9.231  -5.469
  185    HG2  ARG  23           HG2      ARG  23  12.399   8.043  -6.281
  186    HG3  ARG  23           HG1      ARG  23  13.046   9.634  -5.876
  187    HD2  ARG  23           HD2      ARG  23  14.582   7.970  -5.073
  188    HD3  ARG  23           HD1      ARG  23  13.790   8.715  -3.686
  189    HE   ARG  23           HE       ARG  23  13.305   6.007  -4.717
  190   HH11  ARG  23          HH11      ARG  23  12.816   8.416  -2.214
  191   HH12  ARG  23          HH12      ARG  23  12.177   7.283  -1.073
  192   HH21  ARG  23          HH21      ARG  23  12.463   4.511  -3.194
  193   HH22  ARG  23          HH22      ARG  23  11.974   5.066  -1.623
  194    H    TRP  24           HN       TRP  24   9.856  11.747  -5.147
  195    HA   TRP  24           HA       TRP  24  11.946  13.247  -6.524
  196    HB2  TRP  24           HB2      TRP  24   8.949  13.424  -6.892
  197    HB3  TRP  24           HB1      TRP  24  10.187  14.053  -7.973
  198    HD1  TRP  24           HD1      TRP  24   7.976  11.163  -7.562
  199    HE1  TRP  24           HE1      TRP  24   8.695   9.225  -9.098
  200    HE3  TRP  24           HE3      TRP  24  12.629  12.817  -8.839
  201    HZ2  TRP  24           HZ2      TRP  24  10.942   8.488 -10.634
  202    HZ3  TRP  24           HZ3      TRP  24  14.009  11.437 -10.337
  203    HH2  TRP  24           HH2      TRP  24  13.181   9.315 -11.216
  204    HN1  NH2  25           H1       NH2  25  12.555  14.264  -4.467
  205    HN2  NH2  25           H2       NH2  25  11.703  15.677  -3.956
  206    H1   PCA   1           HN       PCA   1  -2.625 -12.788   3.523
  207    HA   PCA   1           HA       PCA   1  -0.693 -14.130   4.450
  208    HB2  PCA   1           HB2      PCA   1   0.068 -15.174   1.869
  209    HB3  PCA   1           HB1      PCA   1  -0.413 -16.075   3.322
  210    HG2  PCA   1           HG2      PCA   1  -1.940 -15.642   0.943
  211    HG3  PCA   1           HG1      PCA   1  -2.421 -16.517   2.417
  212    H    ASP   2           HN       ASP   2  -0.823 -12.917   1.128
  213    HA   ASP   2           HA       ASP   2   1.735 -11.617   1.383
  214    HB2  ASP   2           HB2      ASP   2   1.525 -12.382  -0.774
  215    HB3  ASP   2           HB1      ASP   2  -0.205 -12.069  -0.828
  216    H    LEU   3           HN       LEU   3   2.077  -9.349   1.125
  217    HA   LEU   3           HA       LEU   3   0.491  -7.769   2.803
  218    HB2  LEU   3           HB2      LEU   3   2.873  -7.372   2.322
  219    HB3  LEU   3           HB1      LEU   3   2.459  -6.891   0.690
  220    HG   LEU   3           HG       LEU   3   1.240  -4.948   1.557
  221   HD11  LEU   3          HD11      LEU   3   0.477  -5.770   3.679
  222   HD12  LEU   3          HD12      LEU   3   1.490  -4.351   3.952
  223   HD13  LEU   3          HD13      LEU   3   2.136  -5.967   4.247
  224   HD21  LEU   3          HD21      LEU   3   3.574  -4.677   0.994
  225   HD22  LEU   3          HD22      LEU   3   4.055  -5.234   2.596
  226   HD23  LEU   3          HD23      LEU   3   3.190  -3.707   2.416
  227    H    GLN   4           HN       GLN   4   0.659  -7.864  -0.748
  228    HA   GLN   4           HA       GLN   4  -1.296  -5.799  -1.105
  229    HB2  GLN   4           HB2      GLN   4  -0.645  -7.881  -3.175
  230    HB3  GLN   4           HB1      GLN   4  -1.072  -6.191  -3.410
  231    HG2  GLN   4           HG2      GLN   4   1.047  -5.454  -3.014
  232    HG3  GLN   4           HG1      GLN   4   1.437  -6.802  -1.947
  233   HE21  GLN   4          HE21      GLN   4   2.024  -8.801  -2.858
  234   HE22  GLN   4          HE22      GLN   4   2.604  -8.898  -4.487
  235    H    THR   5           HN       THR   5  -1.280  -9.279  -1.016
  236    HA   THR   5           HA       THR   5  -3.912  -9.775  -1.850
  237    HB   THR   5           HB       THR   5  -2.088 -11.395  -0.049
  238    HG1  THR   5           HG1      THR   5  -1.299 -10.971  -2.191
  239   HG21  THR   5          HG21      THR   5  -4.563 -12.253  -1.575
  240   HG22  THR   5          HG22      THR   5  -4.432 -12.110   0.178
  241   HG23  THR   5          HG23      THR   5  -3.477 -13.319  -0.681
  242    H    LEU   6           HN       LEU   6  -2.573  -9.681   1.475
  243    HA   LEU   6           HA       LEU   6  -5.123  -9.948   2.706
  244    HB2  LEU   6           HB2      LEU   6  -2.908 -10.522   3.749
  245    HB3  LEU   6           HB1      LEU   6  -2.630  -8.808   3.956
  246    HG   LEU   6           HG       LEU   6  -4.777  -8.770   5.315
  247   HD11  LEU   6          HD11      LEU   6  -4.330 -11.749   5.260
  248   HD12  LEU   6          HD12      LEU   6  -5.699 -10.888   4.556
  249   HD13  LEU   6          HD13      LEU   6  -5.468 -10.896   6.304
  250   HD21  LEU   6          HD21      LEU   6  -2.571  -8.620   6.330
  251   HD22  LEU   6          HD22      LEU   6  -2.436 -10.378   6.325
  252   HD23  LEU   6          HD23      LEU   6  -3.653  -9.591   7.330
  253    H    CYS   7           HN       CYS   7  -3.580  -7.322   1.222
  254    HA   CYS   7           HA       CYS   7  -4.636  -5.211   2.789
  255    HB2  CYS   7           HB2      CYS   7  -2.864  -5.346   0.721
  256    HB3  CYS   7           HB1      CYS   7  -4.280  -4.683  -0.090
  257    H    CYS   8           HN       CYS   8  -6.011  -7.388   0.559
  258    HA   CYS   8           HA       CYS   8  -8.338  -5.705   0.022
  259    HB2  CYS   8           HB2      CYS   8  -7.191  -7.210  -1.722
  260    HB3  CYS   8           HB1      CYS   8  -7.927  -8.561  -0.870
  261    H    THR   9           HN       THR   9  -7.353  -7.319   2.566
  262    HA   THR   9           HA       THR   9 -10.048  -8.243   3.296
  263    HB   THR   9           HB       THR   9  -7.523  -9.594   4.251
  264    HG1  THR   9           HG1      THR   9  -9.019  -9.968   1.908
  265   HG21  THR   9          HG21      THR   9  -9.519  -9.897   5.642
  266   HG22  THR   9          HG22      THR   9  -9.048 -11.405   4.858
  267   HG23  THR   9          HG23      THR   9 -10.412 -10.476   4.235
  268    H    ASP  10           HN       ASP  10  -6.896  -7.958   4.931
  269    HA   ASP  10           HA       ASP  10  -8.106  -6.753   7.252
  270    HB2  ASP  10           HB2      ASP  10  -6.212  -8.224   7.597
  271    HB3  ASP  10           HB1      ASP  10  -5.229  -7.285   6.482
  272    H    GLY  11           HN       GLY  11  -5.582  -5.720   4.976
  273    HA2  GLY  11           HA2      GLY  11  -5.894  -3.572   3.826
  274    HA3  GLY  11           HA1      GLY  11  -6.530  -2.951   5.343
  275    H    CYS  12           HN       CYS  12  -4.382  -1.848   3.834
  276    HA   CYS  12           HA       CYS  12  -2.145  -2.271   5.707
  277    HB2  CYS  12           HB2      CYS  12  -1.820  -1.131   2.942
  278    HB3  CYS  12           HB1      CYS  12  -0.601  -1.862   3.980
  279    H    SER  13           HN       SER  13  -1.315  -0.514   6.722
  280    HA   SER  13           HA       SER  13  -2.827   1.956   6.488
  281    HB2  SER  13           HB2      SER  13  -0.488   1.766   8.314
  282    HB3  SER  13           HB1      SER  13  -2.100   2.420   8.612
  283    HG   SER  13           HG       SER  13  -1.199  -0.256   8.706
  284    H    MET  14           HN       MET  14  -1.562   4.048   6.501
  285    HA   MET  14           HA       MET  14  -0.052   4.281   4.171
  286    HB2  MET  14           HB2      MET  14  -1.282   6.129   5.352
  287    HB3  MET  14           HB1      MET  14   0.033   6.180   6.512
  288    HG2  MET  14           HG2      MET  14   1.597   6.726   4.709
  289    HG3  MET  14           HG1      MET  14   0.263   6.704   3.557
  290    HE1  MET  14           HE1      MET  14   2.334   9.151   4.024
  291    HE2  MET  14           HE2      MET  14   1.224  10.516   3.904
  292    HE3  MET  14           HE3      MET  14   1.072   9.156   2.792
  293    H    THR  15           HN       THR  15   0.956   4.207   7.519
  294    HA   THR  15           HA       THR  15   3.694   4.586   7.199
  295    HB   THR  15           HB       THR  15   3.641   2.985   9.363
  296    HG1  THR  15           HG1      THR  15   1.595   2.386   9.581
  297   HG21  THR  15          HG21      THR  15   3.197   5.004  10.698
  298   HG22  THR  15          HG22      THR  15   2.595   5.820   9.254
  299   HG23  THR  15          HG23      THR  15   4.290   5.343   9.356
  300    H    ASP  16           HN       ASP  16   1.797   1.610   7.188
  301    HA   ASP  16           HA       ASP  16   3.836  -0.267   7.127
  302    HB2  ASP  16           HB2      ASP  16   1.275  -0.623   5.580
  303    HB3  ASP  16           HB1      ASP  16   2.228  -1.848   6.403
  304    H    LEU  17           HN       LEU  17   2.152   1.277   4.405
  305    HA   LEU  17           HA       LEU  17   3.815  -0.045   2.476
  306    HB2  LEU  17           HB2      LEU  17   2.608   1.157   0.811
  307    HB3  LEU  17           HB1      LEU  17   1.467   0.618   2.025
  308    HG   LEU  17           HG       LEU  17   2.107   3.157   2.882
  309   HD11  LEU  17          HD11      LEU  17   3.299   3.409   0.659
  310   HD12  LEU  17          HD12      LEU  17   2.085   4.627   1.046
  311   HD13  LEU  17          HD13      LEU  17   1.703   3.333  -0.089
  312   HD21  LEU  17          HD21      LEU  17  -0.139   3.734   2.034
  313   HD22  LEU  17          HD22      LEU  17  -0.107   2.190   2.885
  314   HD23  LEU  17          HD23      LEU  17  -0.157   2.224   1.123
  315    H    SER  18           HN       SER  18   3.861   3.041   4.130
  316    HA   SER  18           HA       SER  18   5.699   4.358   2.425
  317    HB2  SER  18           HB2      SER  18   5.150   4.775   5.376
  318    HB3  SER  18           HB1      SER  18   6.086   5.870   4.358
  319    HG   SER  18           HG       SER  18   3.369   5.142   3.951
  320    H    ALA  19           HN       ALA  19   6.064   1.865   4.767
  321    HA   ALA  19           HA       ALA  19   8.773   2.266   5.470
  322    HB1  ALA  19           HB1      ALA  19   7.286   0.794   6.742
  323    HB2  ALA  19           HB2      ALA  19   8.731  -0.065   6.207
  324    HB3  ALA  19           HB3      ALA  19   7.198  -0.308   5.368
  325    H    LEU  20           HN       LEU  20   7.192   0.924   2.697
  326    HA   LEU  20           HA       LEU  20   9.609  -0.297   1.643
  327    HB2  LEU  20           HB2      LEU  20   6.976   0.135   0.233
  328    HB3  LEU  20           HB1      LEU  20   8.239  -1.000  -0.200
  329    HG   LEU  20           HG       LEU  20   6.614  -1.183   2.336
  330   HD11  LEU  20          HD11      LEU  20   5.405  -2.996   1.225
  331   HD12  LEU  20          HD12      LEU  20   6.270  -2.652  -0.273
  332   HD13  LEU  20          HD13      LEU  20   5.166  -1.454   0.403
  333   HD21  LEU  20          HD21      LEU  20   7.499  -3.469   2.409
  334   HD22  LEU  20          HD22      LEU  20   8.786  -2.266   2.474
  335   HD23  LEU  20          HD23      LEU  20   8.467  -3.135   0.973
  336    H    CYS  21           HN       CYS  21   8.038   2.689   1.659
  337    HA   CYS  21           HA       CYS  21   9.051   3.673  -0.848
  338    HB2  CYS  21           HB2      CYS  21   7.650   5.007   1.472
  339    HB3  CYS  21           HB1      CYS  21   8.128   5.858   0.012
  340    HN1  NH2  22           H1       NH2  22   9.870   3.946   2.556
  341    HN2  NH2  22           H2       NH2  22  11.386   4.745   2.326
  Start of MODEL   12
    1    H1   LYS   1           HN       LYS   1  -7.063  -4.223  10.990
    2    HA   LYS   1           HA       LYS   1  -7.340  -2.081  12.902
    3    HB2  LYS   1           HB2      LYS   1  -5.226  -0.927  12.076
    4    HB3  LYS   1           HB1      LYS   1  -5.007  -2.266  13.193
    5    HG2  LYS   1           HG2      LYS   1  -3.661  -3.257  11.746
    6    HG3  LYS   1           HG1      LYS   1  -4.967  -3.317  10.561
    7    HD2  LYS   1           HD2      LYS   1  -4.351  -0.898  10.018
    8    HD3  LYS   1           HD1      LYS   1  -2.871  -1.194  10.934
    9    HE2  LYS   1           HE2      LYS   1  -2.488  -1.556   8.563
   10    HE3  LYS   1           HE1      LYS   1  -2.342  -3.075   9.449
   11    HZ1  LYS   1           HZ1      LYS   1  -4.516  -3.727   8.726
   12    HZ2  LYS   1           HZ2      LYS   1  -3.623  -3.261   7.362
   13    HZ3  LYS   1           HZ3      LYS   1  -4.788  -2.216   8.002
   14    H    GLU   2           HN       GLU   2  -8.470  -0.496  12.014
   15    HA   GLU   2           HA       GLU   2  -9.475  -0.633   9.418
   16    HB2  GLU   2           HB2      GLU   2 -10.518   0.580  11.351
   17    HB3  GLU   2           HB1      GLU   2  -9.322   1.851  11.130
   18    HG2  GLU   2           HG2      GLU   2 -11.442   2.440  10.097
   19    HG3  GLU   2           HG1      GLU   2 -10.164   2.282   8.892
   20    H    SER   3           HN       SER   3  -8.664  -0.107   7.535
   21    HA   SER   3           HA       SER   3  -6.891   2.120   7.173
   22    HB2  SER   3           HB2      SER   3  -5.252   0.369   5.969
   23    HB3  SER   3           HB1      SER   3  -5.059   0.829   7.660
   24    HG   SER   3           HG       SER   3  -6.597  -1.067   7.994
   25    H    VAL   4           HN       VAL   4  -5.937   1.604   4.645
   26    HA   VAL   4           HA       VAL   4  -8.403   1.664   3.128
   27    HB   VAL   4           HB       VAL   4  -5.805   1.666   1.700
   28   HG11  VAL   4          HG11      VAL   4  -8.269   3.393   1.528
   29   HG12  VAL   4          HG12      VAL   4  -7.899   1.999   0.513
   30   HG13  VAL   4          HG13      VAL   4  -6.895   3.446   0.423
   31   HG21  VAL   4          HG21      VAL   4  -6.652   3.939   3.496
   32   HG22  VAL   4          HG22      VAL   4  -5.405   4.049   2.254
   33   HG23  VAL   4          HG23      VAL   4  -5.182   2.974   3.634
   34    H    ARG   5           HN       ARG   5  -8.906   0.230   1.416
   35    HA   ARG   5           HA       ARG   5  -7.551  -2.371   1.651
   36    HB2  ARG   5           HB2      ARG   5 -10.439  -1.681   1.188
   37    HB3  ARG   5           HB1      ARG   5  -9.800  -3.237   0.679
   38    HG2  ARG   5           HG2      ARG   5 -10.627  -3.737   2.762
   39    HG3  ARG   5           HG1      ARG   5  -8.940  -3.381   3.136
   40    HD2  ARG   5           HD2      ARG   5  -9.691  -1.009   3.609
   41    HD3  ARG   5           HD1      ARG   5 -11.344  -1.615   3.529
   42    HE   ARG   5           HE       ARG   5  -9.697  -3.104   5.350
   43   HH11  ARG   5          HH11      ARG   5 -11.659  -0.231   4.999
   44   HH12  ARG   5          HH12      ARG   5 -11.957  -0.052   6.705
   45   HH21  ARG   5          HH21      ARG   5 -10.094  -2.892   7.597
   46   HH22  ARG   5          HH22      ARG   5 -11.090  -1.579   8.179
   47    H    LEU   6           HN       LEU   6  -6.179  -2.547   0.027
   48    HA   LEU   6           HA       LEU   6  -7.086  -1.814  -2.680
   49    HB2  LEU   6           HB2      LEU   6  -4.305  -1.748  -1.504
   50    HB3  LEU   6           HB1      LEU   6  -4.640  -1.567  -3.211
   51    HG   LEU   6           HG       LEU   6  -4.367   0.617  -2.571
   52   HD11  LEU   6          HD11      LEU   6  -6.562   0.353  -3.635
   53   HD12  LEU   6          HD12      LEU   6  -6.509   1.720  -2.523
   54   HD13  LEU   6          HD13      LEU   6  -7.303   0.221  -2.041
   55   HD21  LEU   6          HD21      LEU   6  -4.054   0.199  -0.205
   56   HD22  LEU   6          HD22      LEU   6  -5.794   0.004   0.009
   57   HD23  LEU   6          HD23      LEU   6  -5.133   1.573  -0.452
   58    H    CYS   7           HN       CYS   7  -6.691  -3.298  -4.338
   59    HA   CYS   7           HA       CYS   7  -5.752  -5.934  -3.418
   60    HB2  CYS   7           HB2      CYS   7  -7.953  -5.151  -5.292
   61    HB3  CYS   7           HB1      CYS   7  -7.174  -6.723  -5.453
   62    H    GLY   8           HN       GLY   8  -3.823  -6.410  -4.156
   63    HA2  GLY   8           HA2      GLY   8  -1.950  -6.545  -5.476
   64    HA3  GLY   8           HA1      GLY   8  -3.101  -6.866  -6.758
   65    H    LEU   9           HN       LEU   9  -3.430  -5.379  -8.307
   66    HA   LEU   9           HA       LEU   9  -1.467  -3.534  -8.920
   67    HB2  LEU   9           HB2      LEU   9  -4.342  -3.573  -9.833
   68    HB3  LEU   9           HB1      LEU   9  -3.062  -2.642 -10.588
   69    HG   LEU   9           HG       LEU   9  -3.115  -5.656 -10.408
   70   HD11  LEU   9          HD11      LEU   9  -3.613  -5.589 -12.801
   71   HD12  LEU   9          HD12      LEU   9  -3.728  -3.830 -12.727
   72   HD13  LEU   9          HD13      LEU   9  -4.890  -4.828 -11.852
   73   HD21  LEU   9          HD21      LEU   9  -1.285  -3.752 -11.864
   74   HD22  LEU   9          HD22      LEU   9  -1.294  -5.503 -12.070
   75   HD23  LEU   9          HD23      LEU   9  -0.858  -4.801 -10.512
   76    H    GLU  10           HN       GLU  10  -4.570  -3.004  -7.304
   77    HA   GLU  10           HA       GLU  10  -4.433  -0.193  -7.212
   78    HB2  GLU  10           HB2      GLU  10  -5.751  -1.937  -5.130
   79    HB3  GLU  10           HB1      GLU  10  -6.183  -0.297  -5.587
   80    HG2  GLU  10           HG2      GLU  10  -6.637  -2.841  -7.102
   81    HG3  GLU  10           HG1      GLU  10  -7.820  -1.653  -6.555
   82    H    TYR  11           HN       TYR  11  -3.269  -2.699  -5.040
   83    HA   TYR  11           HA       TYR  11  -2.381  -0.977  -2.971
   84    HB2  TYR  11           HB2      TYR  11  -2.727  -3.263  -2.408
   85    HB3  TYR  11           HB1      TYR  11  -1.721  -3.822  -3.738
   86    HD1  TYR  11           HD1      TYR  11  -1.573  -2.007  -0.492
   87    HD2  TYR  11           HD2      TYR  11   0.541  -4.298  -3.386
   88    HE1  TYR  11           HE1      TYR  11   0.347  -2.157   1.036
   89    HE2  TYR  11           HE2      TYR  11   2.466  -4.454  -1.866
   90    HH   TYR  11           HH       TYR  11   3.401  -3.158   0.057
   91    H    ILE  12           HN       ILE  12  -0.694  -2.658  -5.588
   92    HA   ILE  12           HA       ILE  12   1.875  -1.700  -5.144
   93    HB   ILE  12           HB       ILE  12   0.538  -2.428  -7.756
   94   HG12  ILE  12          HG12      ILE  12   2.418  -4.104  -6.097
   95   HG13  ILE  12          HG11      ILE  12   0.671  -4.150  -5.875
   96   HG21  ILE  12          HG21      ILE  12   2.800  -2.781  -8.627
   97   HG22  ILE  12          HG22      ILE  12   3.475  -2.162  -7.120
   98   HG23  ILE  12          HG23      ILE  12   2.536  -1.099  -8.168
   99   HD11  ILE  12          HD11      ILE  12   0.416  -4.824  -8.223
  100   HD12  ILE  12          HD12      ILE  12   1.380  -5.967  -7.286
  101   HD13  ILE  12          HD13      ILE  12   2.172  -4.841  -8.388
  102    H    ARG  13           HN       ARG  13  -0.720  -0.341  -7.144
  103    HA   ARG  13           HA       ARG  13   0.695   1.808  -8.240
  104    HB2  ARG  13           HB2      ARG  13  -1.713   0.844  -8.696
  105    HB3  ARG  13           HB1      ARG  13  -2.199   2.087  -7.553
  106    HG2  ARG  13           HG2      ARG  13  -1.235   3.804  -8.955
  107    HG3  ARG  13           HG1      ARG  13  -0.633   2.581 -10.077
  108    HD2  ARG  13           HD2      ARG  13  -3.505   3.263  -9.473
  109    HD3  ARG  13           HD1      ARG  13  -2.644   3.504 -10.991
  110    HE   ARG  13           HE       ARG  13  -2.566   1.065 -11.206
  111   HH11  ARG  13          HH11      ARG  13  -4.907   2.428  -8.986
  112   HH12  ARG  13          HH12      ARG  13  -5.946   1.030  -9.010
  113   HH21  ARG  13          HH21      ARG  13  -3.951  -0.769 -11.250
  114   HH22  ARG  13          HH22      ARG  13  -5.392  -0.787 -10.270
  115    H    THR  14           HN       THR  14  -1.191   1.595  -5.245
  116    HA   THR  14           HA       THR  14  -0.900   4.327  -4.551
  117    HB   THR  14           HB       THR  14  -1.379   2.039  -2.634
  118    HG1  THR  14           HG1      THR  14  -2.970   1.813  -4.154
  119   HG21  THR  14          HG21      THR  14  -2.576   3.711  -1.329
  120   HG22  THR  14          HG22      THR  14  -2.248   4.933  -2.557
  121   HG23  THR  14          HG23      THR  14  -0.921   4.246  -1.622
  122    H    VAL  15           HN       VAL  15   0.948   1.412  -3.805
  123    HA   VAL  15           HA       VAL  15   2.664   2.556  -1.881
  124    HB   VAL  15           HB       VAL  15   3.071   0.182  -3.708
  125   HG11  VAL  15          HG11      VAL  15   4.910  -0.472  -2.231
  126   HG12  VAL  15          HG12      VAL  15   4.738   1.042  -1.344
  127   HG13  VAL  15          HG13      VAL  15   5.244   1.063  -3.033
  128   HG21  VAL  15          HG21      VAL  15   2.439   0.293  -0.764
  129   HG22  VAL  15          HG22      VAL  15   2.519  -1.144  -1.783
  130   HG23  VAL  15          HG23      VAL  15   1.241   0.046  -2.034
  131    H    ILE  16           HN       ILE  16   3.250   1.879  -5.351
  132    HA   ILE  16           HA       ILE  16   5.780   3.077  -5.443
  133    HB   ILE  16           HB       ILE  16   5.502   3.207  -7.886
  134   HG12  ILE  16          HG12      ILE  16   2.692   2.218  -7.344
  135   HG13  ILE  16          HG11      ILE  16   3.113   3.819  -7.945
  136   HG21  ILE  16          HG21      ILE  16   6.240   1.138  -6.860
  137   HG22  ILE  16          HG22      ILE  16   5.232   0.798  -8.267
  138   HG23  ILE  16          HG23      ILE  16   4.566   0.625  -6.643
  139   HD11  ILE  16          HD11      ILE  16   4.075   2.764  -9.958
  140   HD12  ILE  16          HD12      ILE  16   2.352   2.449  -9.760
  141   HD13  ILE  16          HD13      ILE  16   3.528   1.197  -9.360
  142    H    TYR  17           HN       TYR  17   2.583   4.484  -5.708
  143    HA   TYR  17           HA       TYR  17   3.316   6.985  -6.765
  144    HB2  TYR  17           HB2      TYR  17   0.988   6.268  -6.676
  145    HB3  TYR  17           HB1      TYR  17   1.034   6.245  -4.918
  146    HD1  TYR  17           HD1      TYR  17   1.588   8.602  -7.767
  147    HD2  TYR  17           HD2      TYR  17   0.215   8.080  -3.773
  148    HE1  TYR  17           HE1      TYR  17   0.834  10.942  -7.725
  149    HE2  TYR  17           HE2      TYR  17  -0.542  10.418  -3.722
  150    HH   TYR  17           HH       TYR  17  -0.703  12.361  -6.544
  151    H    ILE  18           HN       ILE  18   2.906   5.905  -3.405
  152    HA   ILE  18           HA       ILE  18   3.710   8.379  -2.255
  153    HB   ILE  18           HB       ILE  18   3.646   5.606  -1.052
  154   HG12  ILE  18          HG12      ILE  18   1.693   7.906  -0.820
  155   HG13  ILE  18          HG11      ILE  18   1.454   6.468  -1.808
  156   HG21  ILE  18          HG21      ILE  18   3.716   6.728   1.124
  157   HG22  ILE  18          HG22      ILE  18   3.919   8.282   0.314
  158   HG23  ILE  18          HG23      ILE  18   5.173   7.049   0.182
  159   HD11  ILE  18          HD11      ILE  18   0.227   6.347   0.293
  160   HD12  ILE  18          HD12      ILE  18   1.740   6.506   1.187
  161   HD13  ILE  18          HD13      ILE  18   1.453   5.084   0.185
  162    H    CYS  19           HN       CYS  19   5.363   5.293  -2.813
  163    HA   CYS  19           HA       CYS  19   7.798   5.913  -1.627
  164    HB2  CYS  19           HB2      CYS  19   7.208   4.100  -3.967
  165    HB3  CYS  19           HB1      CYS  19   8.744   4.142  -3.107
  166    H    ALA  20           HN       ALA  20   6.669   6.619  -4.912
  167    HA   ALA  20           HA       ALA  20   9.209   7.605  -5.778
  168    HB1  ALA  20           HB1      ALA  20   6.484   8.115  -6.965
  169    HB2  ALA  20           HB2      ALA  20   7.547   6.768  -7.374
  170    HB3  ALA  20           HB3      ALA  20   8.039   8.423  -7.742
  171    H    SER  21           HN       SER  21   6.182   9.194  -4.774
  172    HA   SER  21           HA       SER  21   7.077  11.823  -5.066
  173    HB2  SER  21           HB2      SER  21   5.128  10.797  -3.017
  174    HB3  SER  21           HB1      SER  21   5.229  12.442  -3.639
  175    HG   SER  21           HG       SER  21   4.261  10.109  -4.870
  176    H    SER  22           HN       SER  22   7.483   9.541  -2.415
  177    HA   SER  22           HA       SER  22   8.743  11.513  -0.706
  178    HB2  SER  22           HB2      SER  22   8.694   8.517  -0.299
  179    HB3  SER  22           HB1      SER  22   8.888   9.773   0.925
  180    HG   SER  22           HG       SER  22   6.568   9.044  -0.518
  181    H    ARG  23           HN       ARG  23   9.745  10.550  -3.411
  182    HA   ARG  23           HA       ARG  23  12.525  10.042  -2.598
  183    HB2  ARG  23           HB2      ARG  23  11.519   8.032  -3.621
  184    HB3  ARG  23           HB1      ARG  23  11.092   8.974  -5.042
  185    HG2  ARG  23           HG2      ARG  23  13.019   7.821  -5.651
  186    HG3  ARG  23           HG1      ARG  23  13.578   9.450  -5.270
  187    HD2  ARG  23           HD2      ARG  23  15.102   7.903  -4.264
  188    HD3  ARG  23           HD1      ARG  23  14.153   8.644  -2.977
  189    HE   ARG  23           HE       ARG  23  13.883   5.889  -3.966
  190   HH11  ARG  23          HH11      ARG  23  13.092   8.334  -1.579
  191   HH12  ARG  23          HH12      ARG  23  12.425   7.201  -0.454
  192   HH21  ARG  23          HH21      ARG  23  13.005   4.391  -2.473
  193   HH22  ARG  23          HH22      ARG  23  12.373   4.952  -0.956
  194    H    TRP  24           HN       TRP  24  10.286  11.482  -4.904
  195    HA   TRP  24           HA       TRP  24  12.442  12.989  -6.167
  196    HB2  TRP  24           HB2      TRP  24   9.482  13.057  -6.789
  197    HB3  TRP  24           HB1      TRP  24  10.789  13.677  -7.791
  198    HD1  TRP  24           HD1      TRP  24   8.630  10.741  -7.438
  199    HE1  TRP  24           HE1      TRP  24   9.529   8.762  -8.819
  200    HE3  TRP  24           HE3      TRP  24  13.326  12.483  -8.394
  201    HZ2  TRP  24           HZ2      TRP  24  11.919   8.031 -10.128
  202    HZ3  TRP  24           HZ3      TRP  24  14.867  11.084  -9.708
  203    HH2  TRP  24           HH2      TRP  24  14.175   8.903 -10.558
  204    HN1  NH2  25           H1       NH2  25  12.844  14.109  -4.111
  205    HN2  NH2  25           H2       NH2  25  11.912  15.516  -3.738
  206    H1   PCA   1           HN       PCA   1  -3.081 -12.665   4.515
  207    HA   PCA   1           HA       PCA   1  -1.504 -13.196   6.423
  208    HB2  PCA   1           HB2      PCA   1   0.185 -14.885   4.800
  209    HB3  PCA   1           HB1      PCA   1  -0.701 -15.310   6.279
  210    HG2  PCA   1           HG2      PCA   1  -1.336 -16.036   3.587
  211    HG3  PCA   1           HG1      PCA   1  -2.232 -16.429   5.074
  212    H    ASP   2           HN       ASP   2  -0.879 -12.933   2.977
  213    HA   ASP   2           HA       ASP   2   1.576 -11.498   3.273
  214    HB2  ASP   2           HB2      ASP   2   1.538 -12.622   1.256
  215    HB3  ASP   2           HB1      ASP   2  -0.167 -12.288   0.983
  216    H    LEU   3           HN       LEU   3   1.915  -9.276   2.562
  217    HA   LEU   3           HA       LEU   3   0.256  -7.467   3.886
  218    HB2  LEU   3           HB2      LEU   3   2.727  -7.369   2.685
  219    HB3  LEU   3           HB1      LEU   3   1.772  -6.309   1.667
  220    HG   LEU   3           HG       LEU   3   1.961  -6.006   4.664
  221   HD11  LEU   3          HD11      LEU   3   4.166  -5.711   3.687
  222   HD12  LEU   3          HD12      LEU   3   3.509  -4.163   4.218
  223   HD13  LEU   3          HD13      LEU   3   3.507  -4.580   2.505
  224   HD21  LEU   3          HD21      LEU   3  -0.029  -5.018   3.637
  225   HD22  LEU   3          HD22      LEU   3   0.995  -4.127   2.510
  226   HD23  LEU   3          HD23      LEU   3   1.072  -3.778   4.237
  227    H    GLN   4           HN       GLN   4   0.644  -7.803   0.337
  228    HA   GLN   4           HA       GLN   4  -1.528  -6.073  -0.236
  229    HB2  GLN   4           HB2      GLN   4  -0.882  -6.291  -2.383
  230    HB3  GLN   4           HB1      GLN   4   0.505  -7.132  -1.711
  231    HG2  GLN   4           HG2      GLN   4  -1.157  -9.202  -1.935
  232    HG3  GLN   4           HG1      GLN   4  -1.811  -8.181  -3.216
  233   HE21  GLN   4          HE21      GLN   4   0.939  -9.970  -2.087
  234   HE22  GLN   4          HE22      GLN   4   1.794  -9.989  -3.596
  235    H    THR   5           HN       THR   5  -1.254  -9.498   0.315
  236    HA   THR   5           HA       THR   5  -3.778 -10.286  -0.651
  237    HB   THR   5           HB       THR   5  -2.067 -11.514   1.530
  238    HG1  THR   5           HG1      THR   5  -1.084 -11.393  -0.564
  239   HG21  THR   5          HG21      THR   5  -4.347 -12.723  -0.055
  240   HG22  THR   5          HG22      THR   5  -4.395 -12.301   1.657
  241   HG23  THR   5          HG23      THR   5  -3.317 -13.578   1.093
  242    H    LEU   6           HN       LEU   6  -2.691  -9.352   2.615
  243    HA   LEU   6           HA       LEU   6  -5.328  -9.570   3.714
  244    HB2  LEU   6           HB2      LEU   6  -2.668  -8.813   4.709
  245    HB3  LEU   6           HB1      LEU   6  -4.005  -8.018   5.506
  246    HG   LEU   6           HG       LEU   6  -3.584 -11.000   5.300
  247   HD11  LEU   6          HD11      LEU   6  -3.421  -9.129   7.655
  248   HD12  LEU   6          HD12      LEU   6  -2.049  -9.883   6.841
  249   HD13  LEU   6          HD13      LEU   6  -3.222 -10.881   7.702
  250   HD21  LEU   6          HD21      LEU   6  -5.485 -11.062   6.939
  251   HD22  LEU   6          HD22      LEU   6  -5.930 -10.612   5.294
  252   HD23  LEU   6          HD23      LEU   6  -5.791  -9.371   6.540
  253    H    CYS   7           HN       CYS   7  -3.794  -7.247   1.806
  254    HA   CYS   7           HA       CYS   7  -4.942  -4.889   2.864
  255    HB2  CYS   7           HB2      CYS   7  -3.784  -5.640   0.207
  256    HB3  CYS   7           HB1      CYS   7  -4.654  -4.119   0.371
  257    H    CYS   8           HN       CYS   8  -6.180  -7.454   0.906
  258    HA   CYS   8           HA       CYS   8  -8.571  -5.949   0.190
  259    HB2  CYS   8           HB2      CYS   8  -7.831  -8.823  -0.413
  260    HB3  CYS   8           HB1      CYS   8  -9.198  -7.947  -1.089
  261    H    THR   9           HN       THR   9  -7.492  -7.501   2.838
  262    HA   THR   9           HA       THR   9 -10.165  -8.473   3.617
  263    HB   THR   9           HB       THR   9  -8.019  -9.362   5.353
  264    HG1  THR   9           HG1      THR   9  -7.849 -10.032   2.582
  265   HG21  THR   9          HG21      THR   9 -10.238 -10.382   5.266
  266   HG22  THR   9          HG22      THR   9  -8.983 -11.561   4.886
  267   HG23  THR   9          HG23      THR   9  -9.958 -10.863   3.592
  268    H    ASP  10           HN       ASP  10  -7.242  -7.645   5.427
  269    HA   ASP  10           HA       ASP  10  -8.749  -6.171   7.394
  270    HB2  ASP  10           HB2      ASP  10  -6.849  -7.539   8.113
  271    HB3  ASP  10           HB1      ASP  10  -5.774  -6.635   7.055
  272    H    GLY  11           HN       GLY  11  -6.092  -5.462   5.157
  273    HA2  GLY  11           HA2      GLY  11  -6.457  -3.474   3.697
  274    HA3  GLY  11           HA1      GLY  11  -6.940  -2.636   5.165
  275    H    CYS  12           HN       CYS  12  -5.098  -1.355   3.919
  276    HA   CYS  12           HA       CYS  12  -2.709  -1.784   5.545
  277    HB2  CYS  12           HB2      CYS  12  -1.570  -0.936   3.216
  278    HB3  CYS  12           HB1      CYS  12  -1.643  -2.618   3.730
  279    H    SER  13           HN       SER  13  -1.973   0.067   6.395
  280    HA   SER  13           HA       SER  13  -3.342   2.529   5.663
  281    HB2  SER  13           HB2      SER  13  -1.408   2.872   7.765
  282    HB3  SER  13           HB1      SER  13  -3.167   2.978   7.857
  283    HG   SER  13           HG       SER  13  -1.507   0.698   8.192
  284    H    MET  14           HN       MET  14  -1.806   4.555   5.859
  285    HA   MET  14           HA       MET  14  -0.117   4.544   3.643
  286    HB2  MET  14           HB2      MET  14  -1.197   6.535   4.833
  287    HB3  MET  14           HB1      MET  14   0.163   6.469   5.939
  288    HG2  MET  14           HG2      MET  14   1.705   6.809   4.082
  289    HG3  MET  14           HG1      MET  14   0.345   6.872   2.962
  290    HE1  MET  14           HE1      MET  14   2.674   9.116   3.326
  291    HE2  MET  14           HE2      MET  14   1.705  10.580   3.155
  292    HE3  MET  14           HE3      MET  14   1.411   9.201   2.097
  293    H    THR  15           HN       THR  15   0.547   4.140   7.027
  294    HA   THR  15           HA       THR  15   3.334   4.251   7.031
  295    HB   THR  15           HB       THR  15   2.819   2.425   8.977
  296    HG1  THR  15           HG1      THR  15   0.691   2.176   8.929
  297   HG21  THR  15          HG21      THR  15   2.563   4.342  10.498
  298   HG22  THR  15          HG22      THR  15   2.266   5.395   9.115
  299   HG23  THR  15          HG23      THR  15   3.839   4.624   9.314
  300    H    ASP  16           HN       ASP  16   1.148   1.502   6.624
  301    HA   ASP  16           HA       ASP  16   3.002  -0.558   6.429
  302    HB2  ASP  16           HB2      ASP  16   0.432  -0.432   4.841
  303    HB3  ASP  16           HB1      ASP  16   1.255  -1.864   5.439
  304    H    LEU  17           HN       LEU  17   1.695   1.583   3.950
  305    HA   LEU  17           HA       LEU  17   3.051   0.324   1.774
  306    HB2  LEU  17           HB2      LEU  17   2.275   3.182   1.579
  307    HB3  LEU  17           HB1      LEU  17   2.051   1.881   0.427
  308    HG   LEU  17           HG       LEU  17   0.420   2.162   2.947
  309   HD11  LEU  17          HD11      LEU  17   0.091   4.102   1.532
  310   HD12  LEU  17          HD12      LEU  17  -1.336   3.065   1.523
  311   HD13  LEU  17          HD13      LEU  17  -0.226   3.055   0.151
  312   HD21  LEU  17          HD21      LEU  17  -1.116   0.652   1.783
  313   HD22  LEU  17          HD22      LEU  17   0.465  -0.088   2.035
  314   HD23  LEU  17          HD23      LEU  17   0.025   0.531   0.443
  315    H    SER  18           HN       SER  18   3.688   3.121   3.828
  316    HA   SER  18           HA       SER  18   5.924   4.121   2.448
  317    HB2  SER  18           HB2      SER  18   5.317   4.300   5.411
  318    HB3  SER  18           HB1      SER  18   6.432   5.333   4.517
  319    HG   SER  18           HG       SER  18   3.642   5.108   4.022
  320    H    ALA  19           HN       ALA  19   5.535   1.365   4.470
  321    HA   ALA  19           HA       ALA  19   8.198   1.056   5.363
  322    HB1  ALA  19           HB1      ALA  19   6.107  -1.061   4.853
  323    HB2  ALA  19           HB2      ALA  19   6.333  -0.171   6.359
  324    HB3  ALA  19           HB3      ALA  19   7.586  -1.273   5.790
  325    H    LEU  20           HN       LEU  20   6.623   0.492   2.325
  326    HA   LEU  20           HA       LEU  20   8.879  -1.082   1.313
  327    HB2  LEU  20           HB2      LEU  20   6.201  -0.324   0.158
  328    HB3  LEU  20           HB1      LEU  20   7.460  -1.047  -0.823
  329    HG   LEU  20           HG       LEU  20   7.429  -2.934   0.976
  330   HD11  LEU  20          HD11      LEU  20   5.970  -1.754   2.548
  331   HD12  LEU  20          HD12      LEU  20   5.265  -3.280   2.014
  332   HD13  LEU  20          HD13      LEU  20   4.680  -1.757   1.345
  333   HD21  LEU  20          HD21      LEU  20   6.792  -3.241  -1.348
  334   HD22  LEU  20          HD22      LEU  20   5.195  -2.570  -1.015
  335   HD23  LEU  20          HD23      LEU  20   5.679  -4.100  -0.284
  336    H    CYS  21           HN       CYS  21   8.188   2.052   1.809
  337    HA   CYS  21           HA       CYS  21   9.334   3.068  -0.676
  338    HB2  CYS  21           HB2      CYS  21   8.113   4.490   1.697
  339    HB3  CYS  21           HB1      CYS  21   8.711   5.290   0.251
  340    HN1  NH2  22           H1       NH2  22  10.192   2.370   2.554
  341    HN2  NH2  22           H2       NH2  22  11.748   3.119   2.554
  Start of MODEL   13
    1    H1   LYS   1           HN       LYS   1  -7.953  -4.301  11.181
    2    HA   LYS   1           HA       LYS   1  -7.139  -1.876  12.658
    3    HB2  LYS   1           HB2      LYS   1  -5.264  -3.401  12.333
    4    HB3  LYS   1           HB1      LYS   1  -5.600  -3.484  10.611
    5    HG2  LYS   1           HG2      LYS   1  -5.137  -1.015  10.508
    6    HG3  LYS   1           HG1      LYS   1  -4.563  -1.134  12.173
    7    HD2  LYS   1           HD2      LYS   1  -2.574  -1.493  11.150
    8    HD3  LYS   1           HD1      LYS   1  -3.172  -3.151  11.078
    9    HE2  LYS   1           HE2      LYS   1  -3.247  -1.071   8.898
   10    HE3  LYS   1           HE1      LYS   1  -2.321  -2.569   8.918
   11    HZ1  LYS   1           HZ1      LYS   1  -5.218  -2.192   8.529
   12    HZ2  LYS   1           HZ2      LYS   1  -4.630  -3.679   9.091
   13    HZ3  LYS   1           HZ3      LYS   1  -4.123  -3.077   7.591
   14    H    GLU   2           HN       GLU   2  -8.736  -0.549  11.878
   15    HA   GLU   2           HA       GLU   2  -9.671  -0.396   9.264
   16    HB2  GLU   2           HB2      GLU   2 -10.674   0.677  11.329
   17    HB3  GLU   2           HB1      GLU   2  -9.476   1.952  11.149
   18    HG2  GLU   2           HG2      GLU   2 -11.670   2.539  10.197
   19    HG3  GLU   2           HG1      GLU   2 -10.367   2.569   9.009
   20    H    SER   3           HN       SER   3  -8.740   0.184   7.463
   21    HA   SER   3           HA       SER   3  -7.016   2.438   7.225
   22    HB2  SER   3           HB2      SER   3  -5.152   0.830   6.231
   23    HB3  SER   3           HB1      SER   3  -5.194   1.215   7.952
   24    HG   SER   3           HG       SER   3  -6.657  -0.779   7.985
   25    H    VAL   4           HN       VAL   4  -5.773   1.826   4.814
   26    HA   VAL   4           HA       VAL   4  -8.065   1.834   3.054
   27    HB   VAL   4           HB       VAL   4  -5.386   1.698   1.829
   28   HG11  VAL   4          HG11      VAL   4  -6.282   3.543   0.494
   29   HG12  VAL   4          HG12      VAL   4  -7.712   3.591   1.524
   30   HG13  VAL   4          HG13      VAL   4  -7.387   2.169   0.532
   31   HG21  VAL   4          HG21      VAL   4  -4.764   2.970   3.780
   32   HG22  VAL   4          HG22      VAL   4  -6.164   4.026   3.585
   33   HG23  VAL   4          HG23      VAL   4  -4.862   4.059   2.396
   34    H    ARG   5           HN       ARG   5  -8.488   0.309   1.428
   35    HA   ARG   5           HA       ARG   5  -7.157  -2.281   1.847
   36    HB2  ARG   5           HB2      ARG   5 -10.031  -1.619   1.281
   37    HB3  ARG   5           HB1      ARG   5  -9.379  -3.192   0.847
   38    HG2  ARG   5           HG2      ARG   5 -10.235  -3.636   2.921
   39    HG3  ARG   5           HG1      ARG   5  -8.573  -3.214   3.338
   40    HD2  ARG   5           HD2      ARG   5  -9.362  -0.872   3.739
   41    HD3  ARG   5           HD1      ARG   5 -11.011  -1.453   3.522
   42    HE   ARG   5           HE       ARG   5  -9.560  -2.937   5.505
   43   HH11  ARG   5          HH11      ARG   5 -11.402  -0.018   4.940
   44   HH12  ARG   5          HH12      ARG   5 -11.864   0.184   6.607
   45   HH21  ARG   5          HH21      ARG   5 -10.173  -2.693   7.700
   46   HH22  ARG   5          HH22      ARG   5 -11.191  -1.352   8.170
   47    H    LEU   6           HN       LEU   6  -5.732  -2.505   0.273
   48    HA   LEU   6           HA       LEU   6  -6.600  -2.000  -2.499
   49    HB2  LEU   6           HB2      LEU   6  -3.834  -1.756  -1.307
   50    HB3  LEU   6           HB1      LEU   6  -4.178  -1.674  -3.020
   51    HG   LEU   6           HG       LEU   6  -3.957   0.548  -2.469
   52   HD11  LEU   6          HD11      LEU   6  -6.894   0.076  -2.010
   53   HD12  LEU   6          HD12      LEU   6  -6.104   0.186  -3.582
   54   HD13  LEU   6          HD13      LEU   6  -6.138   1.587  -2.513
   55   HD21  LEU   6          HD21      LEU   6  -5.429   0.013   0.104
   56   HD22  LEU   6          HD22      LEU   6  -4.814   1.581  -0.420
   57   HD23  LEU   6          HD23      LEU   6  -3.693   0.262  -0.080
   58    H    CYS   7           HN       CYS   7  -6.319  -3.683  -3.940
   59    HA   CYS   7           HA       CYS   7  -5.126  -6.124  -2.805
   60    HB2  CYS   7           HB2      CYS   7  -7.244  -6.082  -4.947
   61    HB3  CYS   7           HB1      CYS   7  -6.739  -7.436  -3.940
   62    H    GLY   8           HN       GLY   8  -3.259  -6.628  -3.677
   63    HA2  GLY   8           HA2      GLY   8  -1.542  -6.910  -5.171
   64    HA3  GLY   8           HA1      GLY   8  -2.809  -7.303  -6.318
   65    H    LEU   9           HN       LEU   9  -3.155  -5.982  -7.977
   66    HA   LEU   9           HA       LEU   9  -1.301  -4.134  -8.811
   67    HB2  LEU   9           HB2      LEU   9  -4.232  -4.250  -9.521
   68    HB3  LEU   9           HB1      LEU   9  -3.019  -3.353 -10.414
   69    HG   LEU   9           HG       LEU   9  -3.022  -6.353 -10.061
   70   HD11  LEU   9          HD11      LEU   9  -3.818  -4.668 -12.431
   71   HD12  LEU   9          HD12      LEU   9  -4.902  -5.627 -11.423
   72   HD13  LEU   9          HD13      LEU   9  -3.682  -6.426 -12.415
   73   HD21  LEU   9          HD21      LEU   9  -1.323  -6.277 -11.855
   74   HD22  LEU   9          HD22      LEU   9  -0.789  -5.491 -10.370
   75   HD23  LEU   9          HD23      LEU   9  -1.318  -4.517 -11.742
   76    H    GLU  10           HN       GLU  10  -4.396  -3.488  -7.202
   77    HA   GLU  10           HA       GLU  10  -4.194  -0.694  -7.213
   78    HB2  GLU  10           HB2      GLU  10  -5.643  -2.510  -5.281
   79    HB3  GLU  10           HB1      GLU  10  -5.894  -0.774  -5.417
   80    HG2  GLU  10           HG2      GLU  10  -6.500  -2.887  -7.464
   81    HG3  GLU  10           HG1      GLU  10  -7.635  -1.825  -6.627
   82    H    TYR  11           HN       TYR  11  -2.990  -3.107  -4.969
   83    HA   TYR  11           HA       TYR  11  -2.171  -1.279  -2.952
   84    HB2  TYR  11           HB2      TYR  11  -2.466  -3.664  -2.461
   85    HB3  TYR  11           HB1      TYR  11  -1.176  -4.071  -3.588
   86    HD1  TYR  11           HD1      TYR  11  -1.772  -1.992  -0.551
   87    HD2  TYR  11           HD2      TYR  11   0.957  -4.406  -2.743
   88    HE1  TYR  11           HE1      TYR  11  -0.137  -1.783   1.266
   89    HE2  TYR  11           HE2      TYR  11   2.603  -4.204  -0.925
   90    HH   TYR  11           HH       TYR  11   1.792  -2.923   2.144
   91    H    ILE  12           HN       ILE  12  -0.506  -2.950  -5.566
   92    HA   ILE  12           HA       ILE  12   2.050  -1.917  -5.225
   93    HB   ILE  12           HB       ILE  12   0.620  -2.741  -7.755
   94   HG12  ILE  12          HG12      ILE  12   2.693  -4.335  -6.284
   95   HG13  ILE  12          HG11      ILE  12   1.006  -4.377  -5.778
   96   HG21  ILE  12          HG21      ILE  12   3.570  -2.331  -7.287
   97   HG22  ILE  12          HG22      ILE  12   2.529  -1.343  -8.313
   98   HG23  ILE  12          HG23      ILE  12   2.848  -3.025  -8.738
   99   HD11  ILE  12          HD11      ILE  12   1.505  -6.231  -7.244
  100   HD12  ILE  12          HD12      ILE  12   2.065  -5.119  -8.493
  101   HD13  ILE  12          HD13      ILE  12   0.367  -5.127  -8.017
  102    H    ARG  13           HN       ARG  13  -0.641  -0.683  -7.203
  103    HA   ARG  13           HA       ARG  13   0.703   1.519  -8.304
  104    HB2  ARG  13           HB2      ARG  13  -2.241   1.177  -7.711
  105    HB3  ARG  13           HB1      ARG  13  -1.564   2.455  -8.710
  106    HG2  ARG  13           HG2      ARG  13  -0.586   0.586 -10.142
  107    HG3  ARG  13           HG1      ARG  13  -1.675  -0.489  -9.265
  108    HD2  ARG  13           HD2      ARG  13  -2.439   1.898 -10.940
  109    HD3  ARG  13           HD1      ARG  13  -2.709   0.203 -11.332
  110    HE   ARG  13           HE       ARG  13  -4.357   0.105  -9.569
  111   HH11  ARG  13          HH11      ARG  13  -3.209   3.327 -10.377
  112   HH12  ARG  13          HH12      ARG  13  -4.624   4.121  -9.782
  113   HH21  ARG  13          HH21      ARG  13  -6.242   1.154  -8.799
  114   HH22  ARG  13          HH22      ARG  13  -6.345   2.889  -8.880
  115    H    THR  14           HN       THR  14  -1.118   1.198  -5.292
  116    HA   THR  14           HA       THR  14  -1.023   3.955  -4.621
  117    HB   THR  14           HB       THR  14  -1.350   1.604  -2.745
  118    HG1  THR  14           HG1      THR  14  -2.979   1.456  -4.251
  119   HG21  THR  14          HG21      THR  14  -2.224   4.486  -2.485
  120   HG22  THR  14          HG22      THR  14  -0.881   3.740  -1.619
  121   HG23  THR  14          HG23      THR  14  -2.532   3.198  -1.319
  122    H    VAL  15           HN       VAL  15   1.009   1.171  -3.797
  123    HA   VAL  15           HA       VAL  15   2.663   2.494  -1.938
  124    HB   VAL  15           HB       VAL  15   3.222   0.085  -3.673
  125   HG11  VAL  15          HG11      VAL  15   4.799   1.111  -1.314
  126   HG12  VAL  15          HG12      VAL  15   5.322   1.153  -2.998
  127   HG13  VAL  15          HG13      VAL  15   5.092  -0.395  -2.185
  128   HG21  VAL  15          HG21      VAL  15   1.389  -0.127  -2.025
  129   HG22  VAL  15          HG22      VAL  15   2.532   0.280  -0.745
  130   HG23  VAL  15          HG23      VAL  15   2.750  -1.196  -1.685
  131    H    ILE  16           HN       ILE  16   3.263   1.739  -5.387
  132    HA   ILE  16           HA       ILE  16   5.722   3.073  -5.539
  133    HB   ILE  16           HB       ILE  16   5.435   3.100  -7.975
  134   HG12  ILE  16          HG12      ILE  16   2.653   2.055  -7.396
  135   HG13  ILE  16          HG11      ILE  16   3.037   3.635  -8.069
  136   HG21  ILE  16          HG21      ILE  16   6.241   1.086  -6.896
  137   HG22  ILE  16          HG22      ILE  16   5.238   0.672  -8.287
  138   HG23  ILE  16          HG23      ILE  16   4.586   0.527  -6.655
  139   HD11  ILE  16          HD11      ILE  16   4.021   2.513 -10.034
  140   HD12  ILE  16          HD12      ILE  16   2.306   2.163  -9.817
  141   HD13  ILE  16          HD13      ILE  16   3.515   0.962  -9.364
  142    H    TYR  17           HN       TYR  17   2.449   4.284  -5.771
  143    HA   TYR  17           HA       TYR  17   3.032   6.795  -6.912
  144    HB2  TYR  17           HB2      TYR  17   0.742   5.827  -6.713
  145    HB3  TYR  17           HB1      TYR  17   0.805   6.113  -4.977
  146    HD1  TYR  17           HD1      TYR  17   0.903   7.837  -8.266
  147    HD2  TYR  17           HD2      TYR  17   0.186   8.198  -4.088
  148    HE1  TYR  17           HE1      TYR  17   0.019  10.104  -8.619
  149    HE2  TYR  17           HE2      TYR  17  -0.701  10.466  -4.430
  150    HH   TYR  17           HH       TYR  17  -0.464  12.298  -6.131
  151    H    ILE  18           HN       ILE  18   2.695   5.763  -3.526
  152    HA   ILE  18           HA       ILE  18   3.300   8.291  -2.405
  153    HB   ILE  18           HB       ILE  18   3.560   5.533  -1.195
  154   HG12  ILE  18          HG12      ILE  18   1.391   7.628  -0.937
  155   HG13  ILE  18          HG11      ILE  18   1.274   6.154  -1.893
  156   HG21  ILE  18          HG21      ILE  18   3.572   6.671   0.976
  157   HG22  ILE  18          HG22      ILE  18   3.596   8.232   0.156
  158   HG23  ILE  18          HG23      ILE  18   4.965   7.130  -0.004
  159   HD11  ILE  18          HD11      ILE  18   1.595   6.298   1.094
  160   HD12  ILE  18          HD12      ILE  18   1.473   4.822   0.137
  161   HD13  ILE  18          HD13      ILE  18   0.107   5.934   0.221
  162    H    CYS  19           HN       CYS  19   5.283   5.412  -3.035
  163    HA   CYS  19           HA       CYS  19   7.678   6.335  -1.950
  164    HB2  CYS  19           HB2      CYS  19   7.287   4.512  -4.332
  165    HB3  CYS  19           HB1      CYS  19   8.788   4.702  -3.436
  166    H    ALA  20           HN       ALA  20   6.326   6.794  -5.198
  167    HA   ALA  20           HA       ALA  20   8.598   8.151  -6.233
  168    HB1  ALA  20           HB1      ALA  20   7.148   8.805  -8.080
  169    HB2  ALA  20           HB2      ALA  20   5.735   8.261  -7.174
  170    HB3  ALA  20           HB3      ALA  20   6.950   7.094  -7.696
  171    H    SER  21           HN       SER  21   5.498   9.292  -4.912
  172    HA   SER  21           HA       SER  21   5.893  12.024  -5.285
  173    HB2  SER  21           HB2      SER  21   4.412  10.700  -3.002
  174    HB3  SER  21           HB1      SER  21   4.183  12.351  -3.580
  175    HG   SER  21           HG       SER  21   3.568   9.920  -4.905
  176    H    SER  22           HN       SER  22   7.054   9.898  -2.742
  177    HA   SER  22           HA       SER  22   7.997  12.001  -1.054
  178    HB2  SER  22           HB2      SER  22   8.846   9.098  -1.056
  179    HB3  SER  22           HB1      SER  22   8.977  10.245   0.278
  180    HG   SER  22           HG       SER  22   6.642   9.092  -0.837
  181    H    ARG  23           HN       ARG  23   9.165  10.636  -3.935
  182    HA   ARG  23           HA       ARG  23  11.929  11.385  -3.314
  183    HB2  ARG  23           HB2      ARG  23  12.641   9.855  -4.836
  184    HB3  ARG  23           HB1      ARG  23  11.068   9.146  -4.512
  185    HG2  ARG  23           HG2      ARG  23  10.575   9.283  -6.663
  186    HG3  ARG  23           HG1      ARG  23  10.727  11.039  -6.586
  187    HD2  ARG  23           HD2      ARG  23  13.037   9.146  -7.007
  188    HD3  ARG  23           HD1      ARG  23  12.174   9.965  -8.308
  189    HE   ARG  23           HE       ARG  23  12.992  11.925  -6.514
  190   HH11  ARG  23          HH11      ARG  23  14.477   9.575  -8.644
  191   HH12  ARG  23          HH12      ARG  23  15.900  10.524  -8.915
  192   HH21  ARG  23          HH21      ARG  23  14.861  13.183  -6.864
  193   HH22  ARG  23          HH22      ARG  23  16.121  12.589  -7.895
  194    H    TRP  24           HN       TRP  24   9.156  12.566  -4.842
  195    HA   TRP  24           HA       TRP  24  10.658  14.290  -6.661
  196    HB2  TRP  24           HB2      TRP  24   7.672  13.977  -6.267
  197    HB3  TRP  24           HB1      TRP  24   8.425  15.028  -7.458
  198    HD1  TRP  24           HD1      TRP  24   6.611  12.068  -7.573
  199    HE1  TRP  24           HE1      TRP  24   7.366  10.439  -9.412
  200    HE3  TRP  24           HE3      TRP  24  11.246  14.004  -8.530
  201    HZ2  TRP  24           HZ2      TRP  24   9.622  10.025 -11.051
  202    HZ3  TRP  24           HZ3      TRP  24  12.638  12.931 -10.249
  203    HH2  TRP  24           HH2      TRP  24  11.842  10.982 -11.483
  204    HN1  NH2  25           H1       NH2  25  11.522  15.071  -4.422
  205    HN2  NH2  25           H2       NH2  25  10.736  16.474  -3.791
  206    H1   PCA   1           HN       PCA   1  -3.016 -11.684   6.099
  207    HA   PCA   1           HA       PCA   1  -1.645 -13.750   6.549
  208    HB2  PCA   1           HB2      PCA   1  -1.507 -14.527   3.775
  209    HB3  PCA   1           HB1      PCA   1  -2.198 -15.434   5.136
  210    HG2  PCA   1           HG2      PCA   1  -3.602 -14.080   3.049
  211    HG3  PCA   1           HG1      PCA   1  -4.280 -14.955   4.442
  212    H    ASP   2           HN       ASP   2  -1.238 -12.688   3.212
  213    HA   ASP   2           HA       ASP   2   1.485 -11.865   3.758
  214    HB2  ASP   2           HB2      ASP   2   1.508 -12.942   1.729
  215    HB3  ASP   2           HB1      ASP   2  -0.125 -12.433   1.322
  216    H    LEU   3           HN       LEU   3   2.246  -9.704   2.940
  217    HA   LEU   3           HA       LEU   3   0.872  -7.642   4.209
  218    HB2  LEU   3           HB2      LEU   3   3.254  -7.545   3.715
  219    HB3  LEU   3           HB1      LEU   3   2.916  -7.471   1.998
  220    HG   LEU   3           HG       LEU   3   1.912  -5.270   2.247
  221   HD11  LEU   3          HD11      LEU   3   2.004  -4.089   4.406
  222   HD12  LEU   3          HD12      LEU   3   2.520  -5.587   5.182
  223   HD13  LEU   3          HD13      LEU   3   0.923  -5.483   4.441
  224   HD21  LEU   3          HD21      LEU   3   3.904  -4.013   2.920
  225   HD22  LEU   3          HD22      LEU   3   4.310  -5.381   1.881
  226   HD23  LEU   3          HD23      LEU   3   4.587  -5.481   3.620
  227    H    GLN   4           HN       GLN   4   1.129  -8.177   0.667
  228    HA   GLN   4           HA       GLN   4  -0.795  -6.123   0.128
  229    HB2  GLN   4           HB2      GLN   4  -0.260  -6.395  -2.065
  230    HB3  GLN   4           HB1      GLN   4   1.138  -7.202  -1.374
  231    HG2  GLN   4           HG2      GLN   4  -0.576  -9.276  -1.560
  232    HG3  GLN   4           HG1      GLN   4  -1.109  -8.291  -2.922
  233   HE21  GLN   4          HE21      GLN   4   1.474 -10.149  -1.555
  234   HE22  GLN   4          HE22      GLN   4   2.439 -10.237  -2.994
  235    H    THR   5           HN       THR   5  -0.902  -9.546   0.656
  236    HA   THR   5           HA       THR   5  -3.474 -10.031  -0.424
  237    HB   THR   5           HB       THR   5  -1.986 -11.555   1.732
  238    HG1  THR   5           HG1      THR   5  -0.839 -11.392  -0.269
  239   HG21  THR   5          HG21      THR   5  -3.380 -13.463   0.979
  240   HG22  THR   5          HG22      THR   5  -4.287 -12.365  -0.060
  241   HG23  THR   5          HG23      THR   5  -4.341 -12.167   1.691
  242    H    LEU   6           HN       LEU   6  -2.360  -9.397   2.906
  243    HA   LEU   6           HA       LEU   6  -4.964  -9.499   4.042
  244    HB2  LEU   6           HB2      LEU   6  -2.883  -9.824   5.337
  245    HB3  LEU   6           HB1      LEU   6  -2.496  -8.132   5.107
  246    HG   LEU   6           HG       LEU   6  -4.823  -7.755   6.250
  247   HD11  LEU   6          HD11      LEU   6  -4.052 -10.475   7.290
  248   HD12  LEU   6          HD12      LEU   6  -5.460 -10.107   6.293
  249   HD13  LEU   6          HD13      LEU   6  -5.337  -9.447   7.924
  250   HD21  LEU   6          HD21      LEU   6  -2.699  -6.989   7.145
  251   HD22  LEU   6          HD22      LEU   6  -2.359  -8.606   7.763
  252   HD23  LEU   6          HD23      LEU   6  -3.699  -7.671   8.428
  253    H    CYS   7           HN       CYS   7  -3.301  -7.135   2.227
  254    HA   CYS   7           HA       CYS   7  -4.587  -4.822   3.247
  255    HB2  CYS   7           HB2      CYS   7  -3.144  -5.457   0.693
  256    HB3  CYS   7           HB1      CYS   7  -3.999  -3.929   0.873
  257    H    CYS   8           HN       CYS   8  -5.632  -7.404   1.286
  258    HA   CYS   8           HA       CYS   8  -7.841  -5.907   0.117
  259    HB2  CYS   8           HB2      CYS   8  -6.423  -7.794  -1.020
  260    HB3  CYS   8           HB1      CYS   8  -7.479  -8.879  -0.127
  261    H    THR   9           HN       THR   9  -7.134  -7.703   2.902
  262    HA   THR   9           HA       THR   9  -9.971  -8.286   3.396
  263    HB   THR   9           HB       THR   9  -8.944  -9.639   5.365
  264    HG1  THR   9           HG1      THR   9  -6.763 -10.430   4.481
  265   HG21  THR   9          HG21      THR   9 -10.026 -10.672   3.433
  266   HG22  THR   9          HG22      THR   9  -8.598 -11.588   3.916
  267   HG23  THR   9          HG23      THR   9  -8.530 -10.527   2.509
  268    H    ASP  10           HN       ASP  10  -7.194  -7.590   5.502
  269    HA   ASP  10           HA       ASP  10  -8.837  -6.037   7.300
  270    HB2  ASP  10           HB2      ASP  10  -7.031  -7.457   8.183
  271    HB3  ASP  10           HB1      ASP  10  -5.852  -6.540   7.260
  272    H    GLY  11           HN       GLY  11  -6.051  -5.424   5.202
  273    HA2  GLY  11           HA2      GLY  11  -6.138  -3.430   3.770
  274    HA3  GLY  11           HA1      GLY  11  -6.827  -2.574   5.143
  275    H    CYS  12           HN       CYS  12  -4.840  -1.244   4.269
  276    HA   CYS  12           HA       CYS  12  -2.722  -1.734   6.208
  277    HB2  CYS  12           HB2      CYS  12  -1.178  -0.962   4.124
  278    HB3  CYS  12           HB1      CYS  12  -1.434  -2.642   4.584
  279    H    SER  13           HN       SER  13  -1.719   0.084   6.930
  280    HA   SER  13           HA       SER  13  -3.078   2.583   6.339
  281    HB2  SER  13           HB2      SER  13  -0.877   2.825   8.199
  282    HB3  SER  13           HB1      SER  13  -2.604   3.040   8.490
  283    HG   SER  13           HG       SER  13  -1.029   0.700   8.710
  284    H    MET  14           HN       MET  14  -1.653   4.589   6.178
  285    HA   MET  14           HA       MET  14  -0.114   4.495   3.861
  286    HB2  MET  14           HB2      MET  14  -1.199   6.516   4.996
  287    HB3  MET  14           HB1      MET  14   0.241   6.584   5.994
  288    HG2  MET  14           HG2      MET  14   1.624   6.865   4.011
  289    HG3  MET  14           HG1      MET  14   0.189   6.774   2.991
  290    HE1  MET  14           HE1      MET  14   1.330  10.549   2.793
  291    HE2  MET  14           HE2      MET  14   1.030   9.076   1.870
  292    HE3  MET  14           HE3      MET  14   2.393   9.155   2.987
  293    H    THR  15           HN       THR  15   0.784   4.332   7.205
  294    HA   THR  15           HA       THR  15   3.558   4.568   7.021
  295    HB   THR  15           HB       THR  15   3.314   2.909   9.119
  296    HG1  THR  15           HG1      THR  15   1.223   2.385   9.151
  297   HG21  THR  15          HG21      THR  15   2.890   4.896  10.509
  298   HG22  THR  15          HG22      THR  15   2.396   5.790   9.071
  299   HG23  THR  15          HG23      THR  15   4.062   5.235   9.235
  300    H    ASP  16           HN       ASP  16   1.485   1.703   6.936
  301    HA   ASP  16           HA       ASP  16   3.442  -0.265   6.769
  302    HB2  ASP  16           HB2      ASP  16   0.880  -0.580   5.240
  303    HB3  ASP  16           HB1      ASP  16   1.752  -1.766   6.193
  304    H    LEU  17           HN       LEU  17   1.867   1.623   4.240
  305    HA   LEU  17           HA       LEU  17   3.155   0.264   2.078
  306    HB2  LEU  17           HB2      LEU  17   2.269   3.063   1.682
  307    HB3  LEU  17           HB1      LEU  17   1.984   1.648   0.691
  308    HG   LEU  17           HG       LEU  17   0.547   2.149   3.291
  309   HD11  LEU  17          HD11      LEU  17   0.090   3.959   1.726
  310   HD12  LEU  17          HD12      LEU  17  -1.324   2.928   1.956
  311   HD13  LEU  17          HD13      LEU  17  -0.351   2.780   0.491
  312   HD21  LEU  17          HD21      LEU  17  -0.039   0.320   0.969
  313   HD22  LEU  17          HD22      LEU  17  -1.041   0.522   2.406
  314   HD23  LEU  17          HD23      LEU  17   0.574  -0.172   2.548
  315    H    SER  18           HN       SER  18   3.806   3.184   3.941
  316    HA   SER  18           HA       SER  18   5.922   4.189   2.364
  317    HB2  SER  18           HB2      SER  18   5.482   4.522   5.346
  318    HB3  SER  18           HB1      SER  18   6.495   5.541   4.323
  319    HG   SER  18           HG       SER  18   3.693   5.180   4.002
  320    H    ALA  19           HN       ALA  19   5.725   1.537   4.541
  321    HA   ALA  19           HA       ALA  19   8.448   1.354   5.285
  322    HB1  ALA  19           HB1      ALA  19   6.393  -0.844   5.034
  323    HB2  ALA  19           HB2      ALA  19   6.686   0.138   6.470
  324    HB3  ALA  19           HB3      ALA  19   7.934  -0.961   5.884
  325    H    LEU  20           HN       LEU  20   6.689   0.589   2.401
  326    HA   LEU  20           HA       LEU  20   8.875  -1.019   1.315
  327    HB2  LEU  20           HB2      LEU  20   6.346  -0.124  -0.068
  328    HB3  LEU  20           HB1      LEU  20   7.447  -1.381  -0.593
  329    HG   LEU  20           HG       LEU  20   5.560  -1.468   1.756
  330   HD11  LEU  20          HD11      LEU  20   5.772  -3.118  -0.757
  331   HD12  LEU  20          HD12      LEU  20   4.552  -1.891  -0.416
  332   HD13  LEU  20          HD13      LEU  20   4.611  -3.367   0.546
  333   HD21  LEU  20          HD21      LEU  20   7.644  -2.509   2.429
  334   HD22  LEU  20          HD22      LEU  20   7.670  -3.467   0.948
  335   HD23  LEU  20          HD23      LEU  20   6.411  -3.739   2.153
  336    H    CYS  21           HN       CYS  21   8.153   2.156   1.698
  337    HA   CYS  21           HA       CYS  21   9.278   3.067  -0.836
  338    HB2  CYS  21           HB2      CYS  21   7.972   4.503   1.477
  339    HB3  CYS  21           HB1      CYS  21   8.721   5.352   0.135
  340    HN1  NH2  22           H1       NH2  22  10.534   1.904   1.856
  341    HN2  NH2  22           H2       NH2  22  11.944   2.886   2.032
  Start of MODEL   14
    1    H1   LYS   1           HN       LYS   1 -11.940  -1.051   8.811
    2    HA   LYS   1           HA       LYS   1 -10.689  -2.121  10.946
    3    HB2  LYS   1           HB2      LYS   1  -9.268  -2.828   8.482
    4    HB3  LYS   1           HB1      LYS   1  -8.243  -2.046   9.676
    5    HG2  LYS   1           HG2      LYS   1  -9.919  -4.507  10.131
    6    HG3  LYS   1           HG1      LYS   1  -8.171  -4.468   9.890
    7    HD2  LYS   1           HD2      LYS   1  -8.662  -2.654  11.953
    8    HD3  LYS   1           HD1      LYS   1  -9.709  -4.031  12.297
    9    HE2  LYS   1           HE2      LYS   1  -7.569  -4.345  13.374
   10    HE3  LYS   1           HE1      LYS   1  -7.763  -5.529  12.083
   11    HZ1  LYS   1           HZ1      LYS   1  -6.160  -4.551  10.807
   12    HZ2  LYS   1           HZ2      LYS   1  -5.560  -4.184  12.348
   13    HZ3  LYS   1           HZ3      LYS   1  -6.396  -3.001  11.474
   14    H    GLU   2           HN       GLU   2  -8.207  -0.856  11.026
   15    HA   GLU   2           HA       GLU   2  -9.037   1.942  10.872
   16    HB2  GLU   2           HB2      GLU   2  -7.389   2.408  12.548
   17    HB3  GLU   2           HB1      GLU   2  -8.270   0.982  13.071
   18    HG2  GLU   2           HG2      GLU   2  -5.562   0.973  11.747
   19    HG3  GLU   2           HG1      GLU   2  -5.858   0.803  13.475
   20    H    SER   3           HN       SER   3  -7.858   0.037   8.862
   21    HA   SER   3           HA       SER   3  -5.824   1.860   7.799
   22    HB2  SER   3           HB2      SER   3  -5.711  -1.158   7.571
   23    HB3  SER   3           HB1      SER   3  -4.483  -0.005   7.048
   24    HG   SER   3           HG       SER   3  -5.288  -0.586   9.716
   25    H    VAL   4           HN       VAL   4  -5.527   1.495   5.385
   26    HA   VAL   4           HA       VAL   4  -8.171   1.376   4.190
   27    HB   VAL   4           HB       VAL   4  -6.771   1.944   2.055
   28   HG11  VAL   4          HG11      VAL   4  -6.860   4.331   2.642
   29   HG12  VAL   4          HG12      VAL   4  -7.120   3.895   4.330
   30   HG13  VAL   4          HG13      VAL   4  -8.327   3.474   3.115
   31   HG21  VAL   4          HG21      VAL   4  -4.844   2.783   4.222
   32   HG22  VAL   4          HG22      VAL   4  -4.697   3.120   2.497
   33   HG23  VAL   4          HG23      VAL   4  -4.583   1.461   3.085
   34    H    ARG   5           HN       ARG   5  -8.421   0.226   2.078
   35    HA   ARG   5           HA       ARG   5  -6.980  -2.338   2.136
   36    HB2  ARG   5           HB2      ARG   5  -9.913  -1.790   1.733
   37    HB3  ARG   5           HB1      ARG   5  -9.171  -3.293   1.203
   38    HG2  ARG   5           HG2      ARG   5  -8.503  -3.802   3.473
   39    HG3  ARG   5           HG1      ARG   5  -9.147  -2.258   4.031
   40    HD2  ARG   5           HD2      ARG   5 -11.334  -2.933   3.795
   41    HD3  ARG   5           HD1      ARG   5 -10.942  -4.133   2.564
   42    HE   ARG   5           HE       ARG   5 -10.384  -5.654   4.227
   43   HH11  ARG   5          HH11      ARG   5 -11.139  -2.533   5.628
   44   HH12  ARG   5          HH12      ARG   5 -11.279  -3.141   7.243
   45   HH21  ARG   5          HH21      ARG   5 -10.577  -6.470   6.353
   46   HH22  ARG   5          HH22      ARG   5 -10.959  -5.386   7.654
   47    H    LEU   6           HN       LEU   6  -5.615  -2.193   0.474
   48    HA   LEU   6           HA       LEU   6  -6.682  -1.330  -2.136
   49    HB2  LEU   6           HB2      LEU   6  -3.847  -1.309  -1.091
   50    HB3  LEU   6           HB1      LEU   6  -4.278  -0.975  -2.754
   51    HG   LEU   6           HG       LEU   6  -3.997   1.143  -1.901
   52   HD11  LEU   6          HD11      LEU   6  -6.154   2.193  -1.696
   53   HD12  LEU   6          HD12      LEU   6  -6.910   0.644  -1.326
   54   HD13  LEU   6          HD13      LEU   6  -6.223   0.929  -2.924
   55   HD21  LEU   6          HD21      LEU   6  -5.332   0.240   0.643
   56   HD22  LEU   6          HD22      LEU   6  -4.735   1.868   0.322
   57   HD23  LEU   6          HD23      LEU   6  -3.607   0.515   0.401
   58    H    CYS   7           HN       CYS   7  -6.988  -2.930  -3.551
   59    HA   CYS   7           HA       CYS   7  -5.648  -5.488  -3.053
   60    HB2  CYS   7           HB2      CYS   7  -8.179  -4.768  -4.510
   61    HB3  CYS   7           HB1      CYS   7  -7.437  -6.360  -4.649
   62    H    GLY   8           HN       GLY   8  -3.939  -5.942  -4.213
   63    HA2  GLY   8           HA2      GLY   8  -2.418  -6.070  -5.920
   64    HA3  GLY   8           HA1      GLY   8  -3.828  -6.277  -6.940
   65    H    LEU   9           HN       LEU   9  -4.425  -4.676  -8.294
   66    HA   LEU   9           HA       LEU   9  -2.552  -2.857  -9.204
   67    HB2  LEU   9           HB2      LEU   9  -5.555  -2.736  -9.477
   68    HB3  LEU   9           HB1      LEU   9  -4.422  -1.803 -10.435
   69    HG   LEU   9           HG       LEU   9  -4.582  -4.819 -10.424
   70   HD11  LEU   9          HD11      LEU   9  -5.576  -4.574 -12.644
   71   HD12  LEU   9          HD12      LEU   9  -5.591  -2.822 -12.444
   72   HD13  LEU   9          HD13      LEU   9  -6.583  -3.837 -11.398
   73   HD21  LEU   9          HD21      LEU   9  -3.016  -2.886 -12.129
   74   HD22  LEU   9          HD22      LEU   9  -3.156  -4.618 -12.430
   75   HD23  LEU   9          HD23      LEU   9  -2.362  -4.039 -10.966
   76    H    GLU  10           HN       GLU  10  -5.267  -2.319  -6.996
   77    HA   GLU  10           HA       GLU  10  -4.916   0.463  -6.723
   78    HB2  GLU  10           HB2      GLU  10  -6.005  -1.357  -4.576
   79    HB3  GLU  10           HB1      GLU  10  -6.406   0.329  -4.868
   80    HG2  GLU  10           HG2      GLU  10  -7.231  -2.084  -6.443
   81    HG3  GLU  10           HG1      GLU  10  -8.250  -0.897  -5.628
   82    H    TYR  11           HN       TYR  11  -3.570  -2.291  -5.023
   83    HA   TYR  11           HA       TYR  11  -2.279  -0.866  -2.943
   84    HB2  TYR  11           HB2      TYR  11  -2.787  -3.357  -3.029
   85    HB3  TYR  11           HB1      TYR  11  -1.414  -3.515  -4.117
   86    HD1  TYR  11           HD2      TYR  11   0.875  -3.172  -3.284
   87    HD2  TYR  11           HD1      TYR  11  -2.482  -2.977  -0.680
   88    HE1  TYR  11           HE2      TYR  11   2.373  -3.387  -1.345
   89    HE2  TYR  11           HE1      TYR  11  -0.994  -3.191   1.262
   90    HH   TYR  11           HH       TYR  11   2.225  -2.687   1.178
   91    H    ILE  12           HN       ILE  12  -1.023  -2.339  -5.907
   92    HA   ILE  12           HA       ILE  12   1.597  -1.441  -5.764
   93    HB   ILE  12           HB       ILE  12  -0.088  -1.928  -8.226
   94   HG12  ILE  12          HG12      ILE  12   1.903  -3.811  -6.978
   95   HG13  ILE  12          HG11      ILE  12   0.213  -3.792  -6.485
   96   HG21  ILE  12          HG21      ILE  12   2.033  -2.290  -9.392
   97   HG22  ILE  12          HG22      ILE  12   2.913  -1.830  -7.935
   98   HG23  ILE  12          HG23      ILE  12   1.910  -0.644  -8.770
   99   HD11  ILE  12          HD11      ILE  12   1.271  -4.358  -9.242
  100   HD12  ILE  12          HD12      ILE  12  -0.437  -4.252  -8.813
  101   HD13  ILE  12          HD13      ILE  12   0.572  -5.521  -8.115
  102    H    ARG  13           HN       ARG  13  -1.206   0.099  -7.307
  103    HA   ARG  13           HA       ARG  13   0.101   2.290  -8.441
  104    HB2  ARG  13           HB2      ARG  13  -2.362   1.427  -8.639
  105    HB3  ARG  13           HB1      ARG  13  -2.661   2.553  -7.322
  106    HG2  ARG  13           HG2      ARG  13  -1.827   4.390  -8.681
  107    HG3  ARG  13           HG1      ARG  13  -1.477   3.267  -9.998
  108    HD2  ARG  13           HD2      ARG  13  -4.168   4.006  -8.867
  109    HD3  ARG  13           HD1      ARG  13  -3.558   4.320 -10.490
  110    HE   ARG  13           HE       ARG  13  -3.651   1.894 -10.864
  111   HH11  ARG  13          HH11      ARG  13  -5.537   3.222  -8.229
  112   HH12  ARG  13          HH12      ARG  13  -6.655   1.887  -8.178
  113   HH21  ARG  13          HH21      ARG  13  -5.144   0.149 -10.811
  114   HH22  ARG  13          HH22      ARG  13  -6.418   0.139  -9.623
  115    H    THR  14           HN       THR  14  -1.360   1.932  -5.228
  116    HA   THR  14           HA       THR  14  -0.865   4.607  -4.428
  117    HB   THR  14           HB       THR  14  -1.211   2.214  -2.613
  118    HG1  THR  14           HG1      THR  14  -3.014   2.173  -3.863
  119   HG21  THR  14          HG21      THR  14  -0.487   4.279  -1.495
  120   HG22  THR  14          HG22      THR  14  -2.141   3.857  -1.054
  121   HG23  THR  14          HG23      THR  14  -1.842   5.145  -2.220
  122    H    VAL  15           HN       VAL  15   0.931   1.581  -4.068
  123    HA   VAL  15           HA       VAL  15   2.918   2.566  -2.324
  124    HB   VAL  15           HB       VAL  15   2.990   0.263  -4.277
  125   HG11  VAL  15          HG11      VAL  15   5.269   1.037  -3.861
  126   HG12  VAL  15          HG12      VAL  15   4.979  -0.519  -3.082
  127   HG13  VAL  15          HG13      VAL  15   4.985   0.960  -2.122
  128   HG21  VAL  15          HG21      VAL  15   2.707  -1.106  -2.281
  129   HG22  VAL  15          HG22      VAL  15   1.386   0.052  -2.439
  130   HG23  VAL  15          HG23      VAL  15   2.681   0.344  -1.278
  131    H    ILE  16           HN       ILE  16   2.998   2.111  -5.878
  132    HA   ILE  16           HA       ILE  16   5.571   3.179  -6.225
  133    HB   ILE  16           HB       ILE  16   4.994   3.499  -8.595
  134   HG12  ILE  16          HG12      ILE  16   2.220   2.610  -7.772
  135   HG13  ILE  16          HG11      ILE  16   2.655   4.236  -8.285
  136   HG21  ILE  16          HG21      ILE  16   4.064   0.884  -7.418
  137   HG22  ILE  16          HG22      ILE  16   5.726   1.323  -7.815
  138   HG23  ILE  16          HG23      ILE  16   4.530   1.143  -9.099
  139   HD11  ILE  16          HD11      ILE  16   3.289   3.336 -10.487
  140   HD12  ILE  16          HD12      ILE  16   1.593   3.057 -10.091
  141   HD13  ILE  16          HD13      ILE  16   2.758   1.739  -9.960
  142    H    TYR  17           HN       TYR  17   2.454   4.745  -5.946
  143    HA   TYR  17           HA       TYR  17   3.220   7.288  -6.909
  144    HB2  TYR  17           HB2      TYR  17   0.855   6.465  -6.516
  145    HB3  TYR  17           HB1      TYR  17   1.125   6.743  -4.800
  146    HD1  TYR  17           HD1      TYR  17   0.993   8.426  -8.100
  147    HD2  TYR  17           HD2      TYR  17   0.891   8.903  -3.873
  148    HE1  TYR  17           HE1      TYR  17   0.317  10.773  -8.387
  149    HE2  TYR  17           HE2      TYR  17   0.215  11.252  -4.149
  150    HH   TYR  17           HH       TYR  17  -0.830  12.527  -7.121
  151    H    ILE  18           HN       ILE  18   2.963   6.009  -3.595
  152    HA   ILE  18           HA       ILE  18   4.002   8.293  -2.307
  153    HB   ILE  18           HB       ILE  18   4.073   5.414  -1.379
  154   HG12  ILE  18          HG12      ILE  18   2.096   7.587  -0.666
  155   HG13  ILE  18          HG11      ILE  18   1.802   6.368  -1.903
  156   HG21  ILE  18          HG21      ILE  18   5.656   6.796  -0.150
  157   HG22  ILE  18          HG22      ILE  18   4.292   6.352   0.877
  158   HG23  ILE  18          HG23      ILE  18   4.388   7.973   0.189
  159   HD11  ILE  18          HD11      ILE  18   0.753   5.844   0.261
  160   HD12  ILE  18          HD12      ILE  18   2.358   5.769   0.991
  161   HD13  ILE  18          HD13      ILE  18   1.904   4.616  -0.264
  162    H    CYS  19           HN       CYS  19   5.515   5.298  -3.433
  163    HA   CYS  19           HA       CYS  19   8.092   5.764  -2.474
  164    HB2  CYS  19           HB2      CYS  19   7.109   4.195  -4.854
  165    HB3  CYS  19           HB1      CYS  19   8.797   4.215  -4.358
  166    H    ALA  20           HN       ALA  20   6.470   6.992  -5.322
  167    HA   ALA  20           HA       ALA  20   8.816   7.997  -6.592
  168    HB1  ALA  20           HB1      ALA  20   6.763   7.593  -7.853
  169    HB2  ALA  20           HB2      ALA  20   7.261   9.280  -7.989
  170    HB3  ALA  20           HB3      ALA  20   5.933   8.837  -6.917
  171    H    SER  21           HN       SER  21   6.256   9.526  -4.642
  172    HA   SER  21           HA       SER  21   7.437  12.078  -4.562
  173    HB2  SER  21           HB2      SER  21   5.649  10.866  -2.454
  174    HB3  SER  21           HB1      SER  21   5.842  12.576  -2.837
  175    HG   SER  21           HG       SER  21   4.570  12.352  -4.525
  176    H    SER  22           HN       SER  22   8.303   9.169  -3.030
  177    HA   SER  22           HA       SER  22   9.563  10.286  -0.719
  178    HB2  SER  22           HB2      SER  22   9.923   7.585  -2.040
  179    HB3  SER  22           HB1      SER  22  10.555   8.034  -0.457
  180    HG   SER  22           HG       SER  22   7.797   8.135  -1.133
  181    H    ARG  23           HN       ARG  23  10.328  10.378  -3.968
  182    HA   ARG  23           HA       ARG  23  13.189  10.778  -3.351
  183    HB2  ARG  23           HB2      ARG  23  12.741  10.570  -6.183
  184    HB3  ARG  23           HB1      ARG  23  13.771   9.589  -5.155
  185    HG2  ARG  23           HG2      ARG  23  10.912   8.961  -5.022
  186    HG3  ARG  23           HG1      ARG  23  11.679   8.653  -6.576
  187    HD2  ARG  23           HD2      ARG  23  11.770   6.671  -5.158
  188    HD3  ARG  23           HD1      ARG  23  13.390   7.297  -5.458
  189    HE   ARG  23           HE       ARG  23  12.942   8.443  -3.150
  190   HH11  ARG  23          HH11      ARG  23  12.051   5.193  -4.108
  191   HH12  ARG  23          HH12      ARG  23  12.130   4.559  -2.494
  192   HH21  ARG  23          HH21      ARG  23  13.045   7.606  -1.023
  193   HH22  ARG  23          HH22      ARG  23  12.696   5.926  -0.746
  194    H    TRP  24           HN       TRP  24  10.352  11.977  -5.035
  195    HA   TRP  24           HA       TRP  24  11.733  14.372  -5.905
  196    HB2  TRP  24           HB2      TRP  24   8.760  14.087  -6.083
  197    HB3  TRP  24           HB1      TRP  24   9.875  14.858  -7.202
  198    HD1  TRP  24           HD1      TRP  24   7.571  12.320  -7.480
  199    HE1  TRP  24           HE1      TRP  24   8.289  10.374  -8.997
  200    HE3  TRP  24           HE3      TRP  24  12.620  13.144  -7.540
  201    HZ2  TRP  24           HZ2      TRP  24  10.670   9.314 -10.063
  202    HZ3  TRP  24           HZ3      TRP  24  14.042  11.604  -8.820
  203    HH2  TRP  24           HH2      TRP  24  13.090   9.732 -10.060
  204    HN1  NH2  25           H1       NH2  25  12.278  14.962  -3.682
  205    HN2  NH2  25           H2       NH2  25  11.126  15.846  -2.744
  206    H1   PCA   1           HN       PCA   1  -2.449 -12.010   5.429
  207    HA   PCA   1           HA       PCA   1  -1.103 -14.141   5.496
  208    HB2  PCA   1           HB2      PCA   1  -1.296 -14.598   2.653
  209    HB3  PCA   1           HB1      PCA   1  -1.854 -15.645   3.975
  210    HG2  PCA   1           HG2      PCA   1  -3.445 -14.039   2.228
  211    HG3  PCA   1           HG1      PCA   1  -3.987 -15.060   3.582
  212    H    ASP   2           HN       ASP   2  -1.119 -12.554   2.339
  213    HA   ASP   2           HA       ASP   2   1.704 -11.943   2.599
  214    HB2  ASP   2           HB2      ASP   2   1.446 -12.689   0.456
  215    HB3  ASP   2           HB1      ASP   2  -0.223 -12.147   0.360
  216    H    LEU   3           HN       LEU   3   2.505  -9.756   2.104
  217    HA   LEU   3           HA       LEU   3   1.414  -7.819   3.769
  218    HB2  LEU   3           HB2      LEU   3   3.714  -7.729   3.112
  219    HB3  LEU   3           HB1      LEU   3   3.284  -7.581   1.420
  220    HG   LEU   3           HG       LEU   3   2.294  -5.342   1.930
  221   HD11  LEU   3          HD11      LEU   3   1.874  -5.622   4.302
  222   HD12  LEU   3          HD12      LEU   3   2.945  -4.247   4.024
  223   HD13  LEU   3          HD13      LEU   3   3.605  -5.776   4.609
  224   HD21  LEU   3          HD21      LEU   3   4.456  -4.204   2.116
  225   HD22  LEU   3          HD22      LEU   3   4.514  -5.548   0.975
  226   HD23  LEU   3          HD23      LEU   3   5.210  -5.728   2.586
  227    H    GLN   4           HN       GLN   4   1.115  -8.119   0.238
  228    HA   GLN   4           HA       GLN   4  -0.575  -5.799   0.024
  229    HB2  GLN   4           HB2      GLN   4  -0.395  -7.921  -2.088
  230    HB3  GLN   4           HB1      GLN   4  -0.564  -6.181  -2.279
  231    HG2  GLN   4           HG2      GLN   4   1.669  -5.798  -2.069
  232    HG3  GLN   4           HG1      GLN   4   1.929  -7.204  -1.040
  233   HE21  GLN   4          HE21      GLN   4   2.108  -9.258  -1.995
  234   HE22  GLN   4          HE22      GLN   4   2.529  -9.427  -3.666
  235    H    THR   5           HN       THR   5  -0.970  -9.281  -0.050
  236    HA   THR   5           HA       THR   5  -3.685  -9.449  -0.631
  237    HB   THR   5           HB       THR   5  -2.023 -11.311   1.088
  238    HG1  THR   5           HG1      THR   5  -1.168 -10.910  -1.041
  239   HG21  THR   5          HG21      THR   5  -4.597 -11.760  -0.444
  240   HG22  THR   5          HG22      THR   5  -4.393 -11.804   1.308
  241   HG23  THR   5          HG23      THR   5  -3.630 -13.033   0.299
  242    H    LEU   6           HN       LEU   6  -2.106  -9.375   2.578
  243    HA   LEU   6           HA       LEU   6  -4.510  -9.573   4.048
  244    HB2  LEU   6           HB2      LEU   6  -2.261 -10.069   4.962
  245    HB3  LEU   6           HB1      LEU   6  -1.905  -8.356   4.943
  246    HG   LEU   6           HG       LEU   6  -3.914  -8.080   6.495
  247   HD11  LEU   6          HD11      LEU   6  -4.570 -10.018   7.783
  248   HD12  LEU   6          HD12      LEU   6  -3.480 -11.041   6.848
  249   HD13  LEU   6          HD13      LEU   6  -4.880 -10.303   6.071
  250   HD21  LEU   6          HD21      LEU   6  -1.487  -9.595   7.448
  251   HD22  LEU   6          HD22      LEU   6  -2.587  -8.668   8.468
  252   HD23  LEU   6          HD23      LEU   6  -1.614  -7.848   7.247
  253    H    CYS   7           HN       CYS   7  -3.125  -6.925   2.354
  254    HA   CYS   7           HA       CYS   7  -4.210  -4.841   3.946
  255    HB2  CYS   7           HB2      CYS   7  -2.445  -4.395   2.289
  256    HB3  CYS   7           HB1      CYS   7  -3.553  -4.818   0.989
  257    H    CYS   8           HN       CYS   8  -5.532  -7.036   1.640
  258    HA   CYS   8           HA       CYS   8  -7.981  -5.500   1.326
  259    HB2  CYS   8           HB2      CYS   8  -7.206  -8.244   0.303
  260    HB3  CYS   8           HB1      CYS   8  -8.704  -7.409  -0.090
  261    H    THR   9           HN       THR   9  -6.803  -8.440   2.864
  262    HA   THR   9           HA       THR   9  -9.259  -9.347   3.912
  263    HB   THR   9           HB       THR   9  -6.841  -9.939   5.485
  264    HG1  THR   9           HG1      THR   9  -5.966 -11.214   3.711
  265   HG21  THR   9          HG21      THR   9  -8.910 -11.239   5.676
  266   HG22  THR   9          HG22      THR   9  -7.571 -12.241   5.117
  267   HG23  THR   9          HG23      THR   9  -8.790 -11.680   3.972
  268    H    ASP  10           HN       ASP  10  -6.521  -7.836   5.614
  269    HA   ASP  10           HA       ASP  10  -8.351  -6.971   7.741
  270    HB2  ASP  10           HB2      ASP  10  -6.293  -8.294   8.336
  271    HB3  ASP  10           HB1      ASP  10  -5.327  -6.955   7.729
  272    H    GLY  11           HN       GLY  11  -5.518  -5.738   5.990
  273    HA2  GLY  11           HA2      GLY  11  -6.228  -3.538   4.788
  274    HA3  GLY  11           HA1      GLY  11  -6.464  -3.005   6.448
  275    H    CYS  12           HN       CYS  12  -4.685  -1.735   4.750
  276    HA   CYS  12           HA       CYS  12  -2.192  -2.260   6.187
  277    HB2  CYS  12           HB2      CYS  12  -0.848  -2.085   4.177
  278    HB3  CYS  12           HB1      CYS  12  -2.023  -3.376   3.969
  279    H    SER  13           HN       SER  13  -0.812  -0.383   6.341
  280    HA   SER  13           HA       SER  13  -2.313   2.099   5.847
  281    HB2  SER  13           HB2      SER  13  -0.481   1.291   8.093
  282    HB3  SER  13           HB1      SER  13  -0.831   2.987   7.758
  283    HG   SER  13           HG       SER  13  -2.631   0.930   8.511
  284    H    MET  14           HN       MET  14  -0.758   4.054   5.859
  285    HA   MET  14           HA       MET  14   0.811   3.927   3.549
  286    HB2  MET  14           HB2      MET  14  -0.253   5.953   4.826
  287    HB3  MET  14           HB1      MET  14   1.297   6.007   5.646
  288    HG2  MET  14           HG2      MET  14   2.406   6.179   3.437
  289    HG3  MET  14           HG1      MET  14   0.812   6.277   2.691
  290    HE1  MET  14           HE1      MET  14   2.420   7.896   5.964
  291    HE2  MET  14           HE2      MET  14   2.805   9.490   5.315
  292    HE3  MET  14           HE3      MET  14   3.595   8.057   4.658
  293    H    THR  15           HN       THR  15   1.583   3.533   6.894
  294    HA   THR  15           HA       THR  15   4.358   3.801   6.865
  295    HB   THR  15           HB       THR  15   3.927   1.821   8.715
  296    HG1  THR  15           HG1      THR  15   1.806   1.593   8.777
  297   HG21  THR  15          HG21      THR  15   3.408   4.782   9.038
  298   HG22  THR  15          HG22      THR  15   4.978   3.987   9.149
  299   HG23  THR  15          HG23      THR  15   3.732   3.648  10.350
  300    H    ASP  16           HN       ASP  16   2.346   0.909   6.451
  301    HA   ASP  16           HA       ASP  16   4.403  -0.946   6.048
  302    HB2  ASP  16           HB2      ASP  16   1.700  -1.130   4.724
  303    HB3  ASP  16           HB1      ASP  16   2.714  -2.439   5.324
  304    H    LEU  17           HN       LEU  17   2.650   1.141   3.817
  305    HA   LEU  17           HA       LEU  17   3.813   0.063   1.453
  306    HB2  LEU  17           HB2      LEU  17   2.869   2.899   1.638
  307    HB3  LEU  17           HB1      LEU  17   2.763   1.789   0.287
  308    HG   LEU  17           HG       LEU  17   1.100   1.687   2.803
  309   HD11  LEU  17          HD11      LEU  17  -0.737   2.251   1.293
  310   HD12  LEU  17          HD12      LEU  17   0.411   2.393  -0.039
  311   HD13  LEU  17          HD13      LEU  17   0.499   3.508   1.324
  312   HD21  LEU  17          HD21      LEU  17  -0.135  -0.095   1.698
  313   HD22  LEU  17          HD22      LEU  17   1.550  -0.552   1.940
  314   HD23  LEU  17          HD23      LEU  17   0.993  -0.052   0.343
  315    H    SER  18           HN       SER  18   4.617   2.786   3.556
  316    HA   SER  18           HA       SER  18   6.672   3.897   1.987
  317    HB2  SER  18           HB2      SER  18   6.401   3.933   5.006
  318    HB3  SER  18           HB1      SER  18   7.379   5.035   4.037
  319    HG   SER  18           HG       SER  18   4.570   4.748   3.747
  320    H    ALA  19           HN       ALA  19   6.567   1.100   4.030
  321    HA   ALA  19           HA       ALA  19   9.331   0.807   4.523
  322    HB1  ALA  19           HB1      ALA  19   7.210  -1.330   4.309
  323    HB2  ALA  19           HB2      ALA  19   7.634  -0.437   5.770
  324    HB3  ALA  19           HB3      ALA  19   8.808  -1.526   5.030
  325    H    LEU  20           HN       LEU  20   7.322   0.181   1.759
  326    HA   LEU  20           HA       LEU  20   9.362  -1.412   0.415
  327    HB2  LEU  20           HB2      LEU  20   6.808  -0.318  -0.759
  328    HB3  LEU  20           HB1      LEU  20   7.773  -1.652  -1.359
  329    HG   LEU  20           HG       LEU  20   6.253  -1.698   1.248
  330   HD11  LEU  20          HD11      LEU  20   5.535  -2.882  -1.430
  331   HD12  LEU  20          HD12      LEU  20   4.716  -1.541  -0.629
  332   HD13  LEU  20          HD13      LEU  20   4.669  -3.154   0.082
  333   HD21  LEU  20          HD21      LEU  20   6.666  -4.112   1.137
  334   HD22  LEU  20          HD22      LEU  20   8.169  -3.193   1.216
  335   HD23  LEU  20          HD23      LEU  20   7.632  -3.875  -0.320
  336    H    CYS  21           HN       CYS  21   8.583   1.802   0.898
  337    HA   CYS  21           HA       CYS  21   9.665   2.770  -1.619
  338    HB2  CYS  21           HB2      CYS  21   8.479   4.180   0.776
  339    HB3  CYS  21           HB1      CYS  21   9.080   5.013  -0.649
  340    HN1  NH2  22           H1       NH2  22  10.680   2.138   1.578
  341    HN2  NH2  22           H2       NH2  22  12.225   2.906   1.493
  Start of MODEL   15
    1    H1   LYS   1           HN       LYS   1  -5.862  -4.682  11.167
    2    HA   LYS   1           HA       LYS   1  -6.577  -2.999  13.103
    3    HB2  LYS   1           HB2      LYS   1  -5.112  -1.100  13.214
    4    HB3  LYS   1           HB1      LYS   1  -4.150  -2.540  13.510
    5    HG2  LYS   1           HG2      LYS   1  -4.314  -1.362  10.764
    6    HG3  LYS   1           HG1      LYS   1  -3.218  -0.690  11.971
    7    HD2  LYS   1           HD2      LYS   1  -1.785  -2.409  11.784
    8    HD3  LYS   1           HD1      LYS   1  -3.084  -3.604  11.757
    9    HE2  LYS   1           HE2      LYS   1  -2.308  -1.878   9.410
   10    HE3  LYS   1           HE1      LYS   1  -1.731  -3.524   9.666
   11    HZ1  LYS   1           HZ1      LYS   1  -3.714  -3.242   8.155
   12    HZ2  LYS   1           HZ2      LYS   1  -4.618  -2.872   9.537
   13    HZ3  LYS   1           HZ3      LYS   1  -3.880  -4.392   9.389
   14    H    GLU   2           HN       GLU   2  -7.788  -1.218  12.393
   15    HA   GLU   2           HA       GLU   2  -8.856  -1.391   9.829
   16    HB2  GLU   2           HB2      GLU   2 -10.019  -0.368  11.756
   17    HB3  GLU   2           HB1      GLU   2  -8.909   0.995  11.687
   18    HG2  GLU   2           HG2      GLU   2 -10.975   1.610  10.641
   19    HG3  GLU   2           HG1      GLU   2  -9.715   1.498   9.411
   20    H    SER   3           HN       SER   3  -8.263  -0.633   7.926
   21    HA   SER   3           HA       SER   3  -6.670   1.742   7.618
   22    HB2  SER   3           HB2      SER   3  -5.534  -0.954   6.833
   23    HB3  SER   3           HB1      SER   3  -4.834   0.604   6.400
   24    HG   SER   3           HG       SER   3  -5.299   0.413   9.072
   25    H    VAL   4           HN       VAL   4  -5.844   1.357   4.989
   26    HA   VAL   4           HA       VAL   4  -8.394   1.517   3.633
   27    HB   VAL   4           HB       VAL   4  -5.812   1.602   2.130
   28   HG11  VAL   4          HG11      VAL   4  -7.914   1.875   0.937
   29   HG12  VAL   4          HG12      VAL   4  -6.978   3.369   0.893
   30   HG13  VAL   4          HG13      VAL   4  -8.353   3.222   1.988
   31   HG21  VAL   4          HG21      VAL   4  -5.263   2.892   4.101
   32   HG22  VAL   4          HG22      VAL   4  -6.766   3.803   3.961
   33   HG23  VAL   4          HG23      VAL   4  -5.510   3.981   2.736
   34    H    ARG   5           HN       ARG   5  -8.817   0.276   1.631
   35    HA   ARG   5           HA       ARG   5  -7.607  -2.404   1.771
   36    HB2  ARG   5           HB2      ARG   5 -10.458  -1.569   1.387
   37    HB3  ARG   5           HB1      ARG   5  -9.897  -3.075   0.676
   38    HG2  ARG   5           HG2      ARG   5 -10.777  -3.736   2.716
   39    HG3  ARG   5           HG1      ARG   5  -9.047  -3.632   3.041
   40    HD2  ARG   5           HD2      ARG   5  -9.529  -1.245   3.824
   41    HD3  ARG   5           HD1      ARG   5 -11.225  -1.724   3.833
   42    HE   ARG   5           HE       ARG   5  -9.496  -3.496   5.310
   43   HH11  ARG   5          HH11      ARG   5 -11.469  -0.618   5.439
   44   HH12  ARG   5          HH12      ARG   5 -11.638  -0.635   7.170
   45   HH21  ARG   5          HH21      ARG   5  -9.706  -3.538   7.600
   46   HH22  ARG   5          HH22      ARG   5 -10.656  -2.301   8.394
   47    H    LEU   6           HN       LEU   6  -6.081  -2.130   0.213
   48    HA   LEU   6           HA       LEU   6  -7.019  -1.464  -2.500
   49    HB2  LEU   6           HB2      LEU   6  -4.250  -1.339  -1.296
   50    HB3  LEU   6           HB1      LEU   6  -4.589  -1.093  -2.995
   51    HG   LEU   6           HG       LEU   6  -4.426   1.071  -2.291
   52   HD11  LEU   6          HD11      LEU   6  -6.638   0.781  -3.288
   53   HD12  LEU   6          HD12      LEU   6  -6.623   2.070  -2.085
   54   HD13  LEU   6          HD13      LEU   6  -7.320   0.500  -1.686
   55   HD21  LEU   6          HD21      LEU   6  -5.159   1.901  -0.104
   56   HD22  LEU   6          HD22      LEU   6  -3.995   0.583   0.037
   57   HD23  LEU   6          HD23      LEU   6  -5.710   0.278   0.315
   58    H    CYS   7           HN       CYS   7  -7.103  -3.100  -3.925
   59    HA   CYS   7           HA       CYS   7  -5.859  -5.638  -3.157
   60    HB2  CYS   7           HB2      CYS   7  -8.143  -4.948  -4.988
   61    HB3  CYS   7           HB1      CYS   7  -7.388  -6.540  -5.006
   62    H    GLY   8           HN       GLY   8  -3.970  -6.089  -4.012
   63    HA2  GLY   8           HA2      GLY   8  -2.194  -6.232  -5.454
   64    HA3  GLY   8           HA1      GLY   8  -3.424  -6.559  -6.658
   65    H    LEU   9           HN       LEU   9  -3.864  -5.066  -8.185
   66    HA   LEU   9           HA       LEU   9  -1.930  -3.228  -8.913
   67    HB2  LEU   9           HB2      LEU   9  -3.798  -4.257 -10.313
   68    HB3  LEU   9           HB1      LEU   9  -4.826  -2.982  -9.688
   69    HG   LEU   9           HG       LEU   9  -3.312  -1.297 -10.680
   70   HD11  LEU   9          HD11      LEU   9  -1.887  -3.725 -11.751
   71   HD12  LEU   9          HD12      LEU   9  -1.228  -2.473 -10.697
   72   HD13  LEU   9          HD13      LEU   9  -1.657  -2.087 -12.363
   73   HD21  LEU   9          HD21      LEU   9  -3.942  -1.701 -13.010
   74   HD22  LEU   9          HD22      LEU   9  -5.275  -2.048 -11.908
   75   HD23  LEU   9          HD23      LEU   9  -4.344  -3.371 -12.610
   76    H    GLU  10           HN       GLU  10  -4.906  -2.718  -7.077
   77    HA   GLU  10           HA       GLU  10  -4.752   0.099  -6.967
   78    HB2  GLU  10           HB2      GLU  10  -5.961  -1.700  -4.859
   79    HB3  GLU  10           HB1      GLU  10  -6.382  -0.029  -5.203
   80    HG2  GLU  10           HG2      GLU  10  -6.984  -2.474  -6.830
   81    HG3  GLU  10           HG1      GLU  10  -8.112  -1.324  -6.112
   82    H    TYR  11           HN       TYR  11  -3.487  -2.463  -4.928
   83    HA   TYR  11           HA       TYR  11  -2.451  -0.825  -2.865
   84    HB2  TYR  11           HB2      TYR  11  -2.810  -3.179  -2.461
   85    HB3  TYR  11           HB1      TYR  11  -1.750  -3.621  -3.793
   86    HD1  TYR  11           HD1      TYR  11  -1.903  -2.472  -0.322
   87    HD2  TYR  11           HD2      TYR  11   0.670  -3.546  -3.535
   88    HE1  TYR  11           HE1      TYR  11  -0.016  -2.632   1.247
   89    HE2  TYR  11           HE2      TYR  11   2.562  -3.707  -1.976
   90    HH   TYR  11           HH       TYR  11   3.165  -2.707   0.290
   91    H    ILE  12           HN       ILE  12  -0.929  -2.428  -5.627
   92    HA   ILE  12           HA       ILE  12   1.665  -1.500  -5.337
   93    HB   ILE  12           HB       ILE  12   0.139  -2.082  -7.880
   94   HG12  ILE  12          HG12      ILE  12   2.101  -3.881  -6.473
   95   HG13  ILE  12          HG11      ILE  12   0.383  -3.892  -6.080
   96   HG21  ILE  12          HG21      ILE  12   2.333  -2.432  -8.915
   97   HG22  ILE  12          HG22      ILE  12   3.116  -1.893  -7.430
   98   HG23  ILE  12          HG23      ILE  12   2.130  -0.769  -8.365
   99   HD11  ILE  12          HD11      ILE  12   0.874  -5.649  -7.643
  100   HD12  ILE  12          HD12      ILE  12   1.618  -4.498  -8.754
  101   HD13  ILE  12          HD13      ILE  12  -0.114  -4.419  -8.434
  102    H    ARG  13           HN       ARG  13  -1.028  -0.049  -7.131
  103    HA   ARG  13           HA       ARG  13   0.335   2.138  -8.212
  104    HB2  ARG  13           HB2      ARG  13  -2.059   1.221  -8.645
  105    HB3  ARG  13           HB1      ARG  13  -2.531   2.315  -7.353
  106    HG2  ARG  13           HG2      ARG  13  -1.629   4.200  -8.611
  107    HG3  ARG  13           HG1      ARG  13  -1.143   3.103  -9.906
  108    HD2  ARG  13           HD2      ARG  13  -3.932   3.769  -8.992
  109    HD3  ARG  13           HD1      ARG  13  -3.205   4.086 -10.566
  110    HE   ARG  13           HE       ARG  13  -3.216   1.659 -10.930
  111   HH11  ARG  13          HH11      ARG  13  -5.310   2.938  -8.428
  112   HH12  ARG  13          HH12      ARG  13  -6.401   1.579  -8.462
  113   HH21  ARG  13          HH21      ARG  13  -4.674  -0.110 -10.988
  114   HH22  ARG  13          HH22      ARG  13  -6.026  -0.154  -9.891
  115    H    THR  14           HN       THR  14  -1.426   1.839  -5.145
  116    HA   THR  14           HA       THR  14  -1.067   4.540  -4.373
  117    HB   THR  14           HB       THR  14  -1.500   2.196  -2.515
  118    HG1  THR  14           HG1      THR  14  -3.167   2.019  -3.933
  119   HG21  THR  14          HG21      THR  14  -2.639   3.844  -1.119
  120   HG22  THR  14          HG22      THR  14  -2.315   5.100  -2.313
  121   HG23  THR  14          HG23      THR  14  -0.980   4.350  -1.438
  122    H    VAL  15           HN       VAL  15   0.780   1.585  -3.802
  123    HA   VAL  15           HA       VAL  15   2.576   2.643  -1.903
  124    HB   VAL  15           HB       VAL  15   2.881   0.338  -3.832
  125   HG11  VAL  15          HG11      VAL  15   4.796  -0.376  -2.481
  126   HG12  VAL  15          HG12      VAL  15   4.685   1.110  -1.538
  127   HG13  VAL  15          HG13      VAL  15   5.097   1.181  -3.252
  128   HG21  VAL  15          HG21      VAL  15   2.481   0.290  -0.851
  129   HG22  VAL  15          HG22      VAL  15   2.362  -1.055  -1.985
  130   HG23  VAL  15          HG23      VAL  15   1.151   0.227  -2.006
  131    H    ILE  16           HN       ILE  16   3.061   2.074  -5.407
  132    HA   ILE  16           HA       ILE  16   5.583   3.272  -5.545
  133    HB   ILE  16           HB       ILE  16   5.225   3.488  -7.969
  134   HG12  ILE  16          HG12      ILE  16   2.419   2.525  -7.359
  135   HG13  ILE  16          HG11      ILE  16   2.849   4.130  -7.939
  136   HG21  ILE  16          HG21      ILE  16   5.973   1.376  -7.050
  137   HG22  ILE  16          HG22      ILE  16   4.903   1.094  -8.423
  138   HG23  ILE  16          HG23      ILE  16   4.303   0.876  -6.779
  139   HD11  ILE  16          HD11      ILE  16   3.192   1.539  -9.429
  140   HD12  ILE  16          HD12      ILE  16   3.701   3.124 -10.013
  141   HD13  ILE  16          HD13      ILE  16   1.990   2.790  -9.746
  142    H    TYR  17           HN       TYR  17   2.387   4.701  -5.643
  143    HA   TYR  17           HA       TYR  17   3.108   7.236  -6.631
  144    HB2  TYR  17           HB2      TYR  17   0.765   6.403  -6.432
  145    HB3  TYR  17           HB1      TYR  17   0.882   6.583  -4.685
  146    HD1  TYR  17           HD1      TYR  17   1.003   8.476  -7.876
  147    HD2  TYR  17           HD2      TYR  17   0.449   8.659  -3.661
  148    HE1  TYR  17           HE1      TYR  17   0.269  10.814  -8.079
  149    HE2  TYR  17           HE2      TYR  17  -0.287  10.997  -3.853
  150    HH   TYR  17           HH       TYR  17   0.051  12.903  -5.490
  151    H    ILE  18           HN       ILE  18   2.714   6.065  -3.293
  152    HA   ILE  18           HA       ILE  18   3.551   8.469  -2.053
  153    HB   ILE  18           HB       ILE  18   3.620   5.640  -0.987
  154   HG12  ILE  18          HG12      ILE  18   1.589   7.830  -0.512
  155   HG13  ILE  18          HG11      ILE  18   1.373   6.512  -1.661
  156   HG21  ILE  18          HG21      ILE  18   3.830   8.264   0.488
  157   HG22  ILE  18          HG22      ILE  18   5.123   7.085   0.268
  158   HG23  ILE  18          HG23      ILE  18   3.708   6.671   1.235
  159   HD11  ILE  18          HD11      ILE  18   1.827   6.115   1.283
  160   HD12  ILE  18          HD12      ILE  18   1.372   4.897   0.092
  161   HD13  ILE  18          HD13      ILE  18   0.237   6.178   0.521
  162    H    CYS  19           HN       CYS  19   5.238   5.444  -2.793
  163    HA   CYS  19           HA       CYS  19   7.706   6.029  -1.684
  164    HB2  CYS  19           HB2      CYS  19   7.077   4.387  -4.140
  165    HB3  CYS  19           HB1      CYS  19   8.618   4.368  -3.289
  166    H    ALA  20           HN       ALA  20   6.388   7.020  -4.797
  167    HA   ALA  20           HA       ALA  20   8.904   8.134  -5.665
  168    HB1  ALA  20           HB1      ALA  20   6.143   8.435  -6.838
  169    HB2  ALA  20           HB2      ALA  20   7.352   7.242  -7.314
  170    HB3  ALA  20           HB3      ALA  20   7.649   8.959  -7.593
  171    H    SER  21           HN       SER  21   5.736   9.487  -4.738
  172    HA   SER  21           HA       SER  21   6.331  12.172  -4.955
  173    HB2  SER  21           HB2      SER  21   4.546  10.908  -2.866
  174    HB3  SER  21           HB1      SER  21   4.467  12.572  -3.446
  175    HG   SER  21           HG       SER  21   3.785  10.183  -4.776
  176    H    SER  22           HN       SER  22   7.139   9.988  -2.315
  177    HA   SER  22           HA       SER  22   7.882  11.996  -0.457
  178    HB2  SER  22           HB2      SER  22   8.820   9.124  -0.573
  179    HB3  SER  22           HB1      SER  22   8.855  10.187   0.834
  180    HG   SER  22           HG       SER  22   6.625   9.040  -0.471
  181    H    ARG  23           HN       ARG  23   9.386  11.079  -3.325
  182    HA   ARG  23           HA       ARG  23  11.957  12.110  -2.322
  183    HB2  ARG  23           HB2      ARG  23  13.172  10.625  -3.638
  184    HB3  ARG  23           HB1      ARG  23  11.848   9.639  -3.042
  185    HG2  ARG  23           HG2      ARG  23  10.687  10.185  -5.253
  186    HG3  ARG  23           HG1      ARG  23  12.273  10.739  -5.793
  187    HD2  ARG  23           HD2      ARG  23  11.788   8.373  -6.385
  188    HD3  ARG  23           HD1      ARG  23  13.233   8.578  -5.397
  189    HE   ARG  23           HE       ARG  23  10.670   7.846  -4.143
  190   HH11  ARG  23          HH11      ARG  23  14.007   7.069  -4.893
  191   HH12  ARG  23          HH12      ARG  23  14.079   5.739  -3.786
  192   HH21  ARG  23          HH21      ARG  23  10.762   6.110  -2.683
  193   HH22  ARG  23          HH22      ARG  23  12.221   5.188  -2.517
  194    H    TRP  24           HN       TRP  24   9.367  12.941  -4.054
  195    HA   TRP  24           HA       TRP  24  10.927  14.480  -6.018
  196    HB2  TRP  24           HB2      TRP  24   8.014  13.666  -6.124
  197    HB3  TRP  24           HB1      TRP  24   8.813  14.692  -7.307
  198    HD1  TRP  24           HD1      TRP  24   7.549  11.480  -7.346
  199    HE1  TRP  24           HE1      TRP  24   8.921   9.806  -8.732
  200    HE3  TRP  24           HE3      TRP  24  11.953  14.050  -7.601
  201    HZ2  TRP  24           HZ2      TRP  24  11.524   9.595  -9.785
  202    HZ3  TRP  24           HZ3      TRP  24  13.838  13.040  -8.809
  203    HH2  TRP  24           HH2      TRP  24  13.628  10.858  -9.881
  204    HN1  NH2  25           H1       NH2  25   8.275  14.624  -3.706
  205    HN2  NH2  25           H2       NH2  25   8.299  16.339  -3.507
  206    H1   PCA   1           HN       PCA   1  -2.745 -12.513   4.077
  207    HA   PCA   1           HA       PCA   1  -0.742 -13.290   5.425
  208    HB2  PCA   1           HB2      PCA   1   0.372 -14.786   3.218
  209    HB3  PCA   1           HB1      PCA   1  -0.089 -15.375   4.829
  210    HG2  PCA   1           HG2      PCA   1  -1.470 -15.774   2.358
  211    HG3  PCA   1           HG1      PCA   1  -1.937 -16.331   3.983
  212    H    ASP   2           HN       ASP   2  -0.970 -12.701   1.960
  213    HA   ASP   2           HA       ASP   2   1.496 -11.262   1.819
  214    HB2  ASP   2           HB2      ASP   2   1.090 -12.164  -0.240
  215    HB3  ASP   2           HB1      ASP   2  -0.654 -12.013  -0.075
  216    H    LEU   3           HN       LEU   3   1.739  -9.000   1.385
  217    HA   LEU   3           HA       LEU   3   0.294  -7.355   3.113
  218    HB2  LEU   3           HB2      LEU   3   2.415  -7.035   1.155
  219    HB3  LEU   3           HB1      LEU   3   1.361  -5.634   1.217
  220    HG   LEU   3           HG       LEU   3   2.626  -6.822   3.678
  221   HD11  LEU   3          HD11      LEU   3   3.634  -4.531   2.001
  222   HD12  LEU   3          HD12      LEU   3   4.380  -6.126   2.111
  223   HD13  LEU   3          HD13      LEU   3   4.313  -5.084   3.532
  224   HD21  LEU   3          HD21      LEU   3   2.106  -4.672   4.667
  225   HD22  LEU   3          HD22      LEU   3   0.642  -5.396   4.001
  226   HD23  LEU   3          HD23      LEU   3   1.457  -4.095   3.131
  227    H    GLN   4           HN       GLN   4  -0.015  -7.757  -0.397
  228    HA   GLN   4           HA       GLN   4  -2.075  -5.790  -0.668
  229    HB2  GLN   4           HB2      GLN   4  -1.709  -8.114  -2.545
  230    HB3  GLN   4           HB1      GLN   4  -2.244  -6.480  -2.913
  231    HG2  GLN   4           HG2      GLN   4  -0.109  -5.633  -2.912
  232    HG3  GLN   4           HG1      GLN   4   0.515  -6.918  -1.879
  233   HE21  GLN   4          HE21      GLN   4   1.000  -8.927  -2.778
  234   HE22  GLN   4          HE22      GLN   4   1.239  -9.116  -4.483
  235    H    THR   5           HN       THR   5  -1.974  -9.293  -0.493
  236    HA   THR   5           HA       THR   5  -4.656  -9.915  -0.702
  237    HB   THR   5           HB       THR   5  -2.506 -11.283   0.947
  238    HG1  THR   5           HG1      THR   5  -2.061 -11.078  -1.320
  239   HG21  THR   5          HG21      THR   5  -3.892 -13.297   0.741
  240   HG22  THR   5          HG22      THR   5  -5.142 -12.367  -0.084
  241   HG23  THR   5          HG23      THR   5  -4.759 -12.027   1.604
  242    H    LEU   6           HN       LEU   6  -2.801  -9.235   2.282
  243    HA   LEU   6           HA       LEU   6  -5.164  -9.436   3.900
  244    HB2  LEU   6           HB2      LEU   6  -2.320  -9.050   4.378
  245    HB3  LEU   6           HB1      LEU   6  -3.332  -8.145   5.475
  246    HG   LEU   6           HG       LEU   6  -3.351 -11.136   5.061
  247   HD11  LEU   6          HD11      LEU   6  -2.560 -11.230   7.340
  248   HD12  LEU   6          HD12      LEU   6  -2.632  -9.473   7.468
  249   HD13  LEU   6          HD13      LEU   6  -1.470 -10.232   6.377
  250   HD21  LEU   6          HD21      LEU   6  -5.144  -9.350   6.684
  251   HD22  LEU   6          HD22      LEU   6  -4.939 -11.067   7.030
  252   HD23  LEU   6          HD23      LEU   6  -5.601 -10.554   5.479
  253    H    CYS   7           HN       CYS   7  -3.847  -6.952   1.977
  254    HA   CYS   7           HA       CYS   7  -4.757  -4.783   3.605
  255    HB2  CYS   7           HB2      CYS   7  -3.020  -4.387   1.918
  256    HB3  CYS   7           HB1      CYS   7  -4.148  -4.824   0.637
  257    H    CYS   8           HN       CYS   8  -6.162  -6.876   1.214
  258    HA   CYS   8           HA       CYS   8  -8.556  -5.292   0.919
  259    HB2  CYS   8           HB2      CYS   8  -8.043  -8.151   0.071
  260    HB3  CYS   8           HB1      CYS   8  -9.356  -7.118  -0.479
  261    H    THR   9           HN       THR   9  -7.385  -7.748   3.016
  262    HA   THR   9           HA       THR   9 -10.059  -8.403   4.003
  263    HB   THR   9           HB       THR   9  -8.410  -9.880   5.552
  264    HG1  THR   9           HG1      THR   9  -7.061  -9.990   3.080
  265   HG21  THR   9          HG21      THR   9  -9.285 -10.533   2.738
  266   HG22  THR   9          HG22      THR   9 -10.206 -10.809   4.217
  267   HG23  THR   9          HG23      THR   9  -8.720 -11.714   3.918
  268    H    ASP  10           HN       ASP  10  -6.932  -7.905   5.630
  269    HA   ASP  10           HA       ASP  10  -8.177  -6.792   7.964
  270    HB2  ASP  10           HB2      ASP  10  -6.155  -8.067   8.261
  271    HB3  ASP  10           HB1      ASP  10  -5.292  -7.068   7.100
  272    H    GLY  11           HN       GLY  11  -5.880  -5.512   5.581
  273    HA2  GLY  11           HA2      GLY  11  -6.617  -3.361   4.510
  274    HA3  GLY  11           HA1      GLY  11  -6.912  -2.805   6.152
  275    H    CYS  12           HN       CYS  12  -5.016  -1.934   3.939
  276    HA   CYS  12           HA       CYS  12  -2.571  -2.087   5.570
  277    HB2  CYS  12           HB2      CYS  12  -1.265  -1.773   3.522
  278    HB3  CYS  12           HB1      CYS  12  -2.275  -3.205   3.409
  279    H    SER  13           HN       SER  13  -1.689  -0.231   6.268
  280    HA   SER  13           HA       SER  13  -3.132   2.229   5.578
  281    HB2  SER  13           HB2      SER  13  -2.228   3.151   7.640
  282    HB3  SER  13           HB1      SER  13  -2.962   1.586   7.983
  283    HG   SER  13           HG       SER  13  -0.769   0.704   7.771
  284    H    MET  14           HN       MET  14  -1.560   4.231   5.838
  285    HA   MET  14           HA       MET  14   0.137   4.241   3.630
  286    HB2  MET  14           HB2      MET  14  -0.903   6.218   4.899
  287    HB3  MET  14           HB1      MET  14   0.470   6.088   5.982
  288    HG2  MET  14           HG2      MET  14   1.996   6.476   4.134
  289    HG3  MET  14           HG1      MET  14   0.636   6.566   3.016
  290    HE1  MET  14           HE1      MET  14   2.009  10.266   3.281
  291    HE2  MET  14           HE2      MET  14   1.710   8.910   2.195
  292    HE3  MET  14           HE3      MET  14   2.973   8.796   3.421
  293    H    THR  15           HN       THR  15   0.732   3.651   6.989
  294    HA   THR  15           HA       THR  15   3.511   3.714   7.078
  295    HB   THR  15           HB       THR  15   2.374   1.596   8.720
  296    HG1  THR  15           HG1      THR  15   0.461   2.540   8.900
  297   HG21  THR  15          HG21      THR  15   4.446   2.803   9.245
  298   HG22  THR  15          HG22      THR  15   3.253   2.998  10.529
  299   HG23  THR  15          HG23      THR  15   3.536   4.307   9.382
  300    H    ASP  16           HN       ASP  16   1.348   0.945   6.476
  301    HA   ASP  16           HA       ASP  16   3.320  -1.011   6.140
  302    HB2  ASP  16           HB2      ASP  16   0.656  -0.941   4.707
  303    HB3  ASP  16           HB1      ASP  16   1.619  -2.361   5.089
  304    H    LEU  17           HN       LEU  17   1.866   1.238   3.860
  305    HA   LEU  17           HA       LEU  17   3.127   0.138   1.547
  306    HB2  LEU  17           HB2      LEU  17   2.325   3.003   1.613
  307    HB3  LEU  17           HB1      LEU  17   2.098   1.811   0.351
  308    HG   LEU  17           HG       LEU  17   0.509   1.906   2.915
  309   HD11  LEU  17          HD11      LEU  17  -1.300   2.778   1.558
  310   HD12  LEU  17          HD12      LEU  17  -0.242   2.801   0.145
  311   HD13  LEU  17          HD13      LEU  17   0.096   3.856   1.516
  312   HD21  LEU  17          HD21      LEU  17  -0.967   0.337   1.800
  313   HD22  LEU  17          HD22      LEU  17   0.663  -0.324   1.921
  314   HD23  LEU  17          HD23      LEU  17   0.086   0.324   0.385
  315    H    SER  18           HN       SER  18   3.861   2.807   3.746
  316    HA   SER  18           HA       SER  18   6.036   3.890   2.333
  317    HB2  SER  18           HB2      SER  18   5.563   3.872   5.327
  318    HB3  SER  18           HB1      SER  18   6.657   4.950   4.460
  319    HG   SER  18           HG       SER  18   3.838   4.797   4.120
  320    H    ALA  19           HN       ALA  19   5.732   1.042   4.268
  321    HA   ALA  19           HA       ALA  19   8.442   0.656   4.950
  322    HB1  ALA  19           HB1      ALA  19   6.631  -0.594   6.012
  323    HB2  ALA  19           HB2      ALA  19   7.827  -1.684   5.311
  324    HB3  ALA  19           HB3      ALA  19   6.292  -1.411   4.486
  325    H    LEU  20           HN       LEU  20   6.698   0.312   1.986
  326    HA   LEU  20           HA       LEU  20   8.861  -1.253   0.763
  327    HB2  LEU  20           HB2      LEU  20   6.099  -0.472  -0.144
  328    HB3  LEU  20           HB1      LEU  20   7.284  -1.106  -1.268
  329    HG   LEU  20           HG       LEU  20   7.435  -3.120   0.334
  330   HD11  LEU  20          HD11      LEU  20   6.219  -2.070   2.189
  331   HD12  LEU  20          HD12      LEU  20   5.459  -3.568   1.651
  332   HD13  LEU  20          HD13      LEU  20   4.768  -2.012   1.188
  333   HD21  LEU  20          HD21      LEU  20   6.466  -3.232  -1.892
  334   HD22  LEU  20          HD22      LEU  20   4.937  -2.609  -1.273
  335   HD23  LEU  20          HD23      LEU  20   5.519  -4.191  -0.753
  336    H    CYS  21           HN       CYS  21   8.299   1.837   1.473
  337    HA   CYS  21           HA       CYS  21   9.188   2.975  -1.064
  338    HB2  CYS  21           HB2      CYS  21   8.199   4.235   1.497
  339    HB3  CYS  21           HB1      CYS  21   8.756   5.158   0.108
  340    HN1  NH2  22           H1       NH2  22  10.317   2.250   2.117
  341    HN2  NH2  22           H2       NH2  22  11.904   2.908   1.940
  Start of MODEL   16
    1    H1   LYS   1           HN       LYS   1  -6.169   0.300  12.678
    2    HA   LYS   1           HA       LYS   1  -4.190   2.190  12.177
    3    HB2  LYS   1           HB2      LYS   1  -2.952   0.888  10.354
    4    HB3  LYS   1           HB1      LYS   1  -2.523   0.536  12.022
    5    HG2  LYS   1           HG2      LYS   1  -3.922  -1.469  11.960
    6    HG3  LYS   1           HG1      LYS   1  -4.352  -1.114  10.286
    7    HD2  LYS   1           HD2      LYS   1  -1.909  -1.220   9.729
    8    HD3  LYS   1           HD1      LYS   1  -1.621  -1.792  11.373
    9    HE2  LYS   1           HE2      LYS   1  -1.727  -3.708   9.960
   10    HE3  LYS   1           HE1      LYS   1  -3.213  -3.668  10.906
   11    HZ1  LYS   1           HZ1      LYS   1  -4.234  -2.525   8.919
   12    HZ2  LYS   1           HZ2      LYS   1  -3.859  -4.169   8.720
   13    HZ3  LYS   1           HZ3      LYS   1  -2.851  -2.976   8.053
   14    H    GLU   2           HN       GLU   2  -4.224   2.943   9.897
   15    HA   GLU   2           HA       GLU   2  -6.919   2.910   8.912
   16    HB2  GLU   2           HB2      GLU   2  -6.164   4.598   7.347
   17    HB3  GLU   2           HB1      GLU   2  -5.570   4.939   8.958
   18    HG2  GLU   2           HG2      GLU   2  -3.908   3.637   6.817
   19    HG3  GLU   2           HG1      GLU   2  -3.954   5.373   7.096
   20    H    SER   3           HN       SER   3  -6.454   0.460   8.694
   21    HA   SER   3           HA       SER   3  -5.132  -0.459   6.346
   22    HB2  SER   3           HB2      SER   3  -7.273  -2.120   7.547
   23    HB3  SER   3           HB1      SER   3  -5.625  -2.552   7.105
   24    HG   SER   3           HG       SER   3  -6.507  -2.083   9.502
   25    H    VAL   4           HN       VAL   4  -5.804  -0.068   4.346
   26    HA   VAL   4           HA       VAL   4  -8.701  -0.003   3.825
   27    HB   VAL   4           HB       VAL   4  -7.994   1.058   1.608
   28   HG11  VAL   4          HG11      VAL   4  -9.058   2.327   3.379
   29   HG12  VAL   4          HG12      VAL   4  -7.797   3.293   2.614
   30   HG13  VAL   4          HG13      VAL   4  -7.504   2.547   4.185
   31   HG21  VAL   4          HG21      VAL   4  -5.610   0.447   1.750
   32   HG22  VAL   4          HG22      VAL   4  -5.433   1.529   3.131
   33   HG23  VAL   4          HG23      VAL   4  -5.848   2.183   1.546
   34    H    ARG   5           HN       ARG   5  -9.534  -1.170   2.044
   35    HA   ARG   5           HA       ARG   5  -8.098  -3.635   1.570
   36    HB2  ARG   5           HB2      ARG   5 -10.858  -2.747   0.717
   37    HB3  ARG   5           HB1      ARG   5 -10.191  -4.351   0.436
   38    HG2  ARG   5           HG2      ARG   5 -10.470  -3.160   3.178
   39    HG3  ARG   5           HG1      ARG   5 -11.737  -4.118   2.411
   40    HD2  ARG   5           HD2      ARG   5 -10.505  -6.063   2.512
   41    HD3  ARG   5           HD1      ARG   5  -8.964  -5.209   2.561
   42    HE   ARG   5           HE       ARG   5  -9.435  -4.662   4.880
   43   HH11  ARG   5          HH11      ARG   5 -11.353  -7.222   3.445
   44   HH12  ARG   5          HH12      ARG   5 -11.749  -7.942   4.968
   45   HH21  ARG   5          HH21      ARG   5  -9.944  -5.613   6.876
   46   HH22  ARG   5          HH22      ARG   5 -10.941  -7.032   6.924
   47    H    LEU   6           HN       LEU   6  -6.428  -3.150   0.213
   48    HA   LEU   6           HA       LEU   6  -7.151  -2.171  -2.469
   49    HB2  LEU   6           HB2      LEU   6  -4.436  -2.165  -1.150
   50    HB3  LEU   6           HB1      LEU   6  -4.828  -1.505  -2.725
   51    HG   LEU   6           HG       LEU   6  -5.978  -0.466  -0.137
   52   HD11  LEU   6          HD11      LEU   6  -3.558  -0.155  -0.181
   53   HD12  LEU   6          HD12      LEU   6  -4.403   1.382  -0.368
   54   HD13  LEU   6          HD13      LEU   6  -3.679   0.598  -1.771
   55   HD21  LEU   6          HD21      LEU   6  -7.346  -0.010  -2.104
   56   HD22  LEU   6          HD22      LEU   6  -5.946   0.674  -2.930
   57   HD23  LEU   6          HD23      LEU   6  -6.599   1.468  -1.497
   58    H    CYS   7           HN       CYS   7  -7.549  -3.967  -3.631
   59    HA   CYS   7           HA       CYS   7  -5.983  -6.363  -3.209
   60    HB2  CYS   7           HB2      CYS   7  -8.392  -5.713  -4.873
   61    HB3  CYS   7           HB1      CYS   7  -7.504  -7.218  -5.105
   62    H    GLY   8           HN       GLY   8  -4.084  -6.551  -4.096
   63    HA2  GLY   8           HA2      GLY   8  -2.349  -6.528  -5.584
   64    HA3  GLY   8           HA1      GLY   8  -3.580  -6.821  -6.794
   65    H    LEU   9           HN       LEU   9  -4.117  -5.254  -8.190
   66    HA   LEU   9           HA       LEU   9  -2.312  -3.298  -8.877
   67    HB2  LEU   9           HB2      LEU   9  -5.272  -3.376  -9.448
   68    HB3  LEU   9           HB1      LEU   9  -4.120  -2.344 -10.275
   69    HG   LEU   9           HG       LEU   9  -4.045  -5.362 -10.313
   70   HD11  LEU   9          HD11      LEU   9  -4.846  -5.155 -12.615
   71   HD12  LEU   9          HD12      LEU   9  -5.023  -3.414 -12.396
   72   HD13  LEU   9          HD13      LEU   9  -6.020  -4.528 -11.459
   73   HD21  LEU   9          HD21      LEU   9  -2.461  -5.007 -12.179
   74   HD22  LEU   9          HD22      LEU   9  -1.855  -4.401 -10.638
   75   HD23  LEU   9          HD23      LEU   9  -2.489  -3.276 -11.839
   76    H    GLU  10           HN       GLU  10  -5.200  -2.964  -6.868
   77    HA   GLU  10           HA       GLU  10  -5.168  -0.173  -6.635
   78    HB2  GLU  10           HB2      GLU  10  -6.087  -2.127  -4.520
   79    HB3  GLU  10           HB1      GLU  10  -6.615  -0.462  -4.725
   80    HG2  GLU  10           HG2      GLU  10  -7.272  -2.863  -6.386
   81    HG3  GLU  10           HG1      GLU  10  -8.362  -1.729  -5.591
   82    H    TYR  11           HN       TYR  11  -3.592  -2.681  -4.702
   83    HA   TYR  11           HA       TYR  11  -2.473  -0.889  -2.799
   84    HB2  TYR  11           HB2      TYR  11  -2.770  -3.259  -2.277
   85    HB3  TYR  11           HB1      TYR  11  -1.656  -3.702  -3.565
   86    HD1  TYR  11           HD2      TYR  11  -1.487  -1.183  -0.800
   87    HD2  TYR  11           HD1      TYR  11   0.278  -4.573  -2.668
   88    HE1  TYR  11           HE2      TYR  11   0.387  -1.075   0.788
   89    HE2  TYR  11           HE1      TYR  11   2.157  -4.474  -1.085
   90    HH   TYR  11           HH       TYR  11   3.258  -2.869   0.362
   91    H    ILE  12           HN       ILE  12  -1.162  -2.570  -5.631
   92    HA   ILE  12           HA       ILE  12   1.445  -1.627  -5.567
   93    HB   ILE  12           HB       ILE  12  -0.271  -2.221  -7.986
   94   HG12  ILE  12          HG12      ILE  12   1.782  -3.996  -6.664
   95   HG13  ILE  12          HG11      ILE  12   0.071  -4.048  -6.252
   96   HG21  ILE  12          HG21      ILE  12   2.732  -2.023  -7.764
   97   HG22  ILE  12          HG22      ILE  12   1.674  -0.896  -8.614
   98   HG23  ILE  12          HG23      ILE  12   1.838  -2.556  -9.188
   99   HD11  ILE  12          HD11      ILE  12   1.274  -4.607  -8.952
  100   HD12  ILE  12          HD12      ILE  12  -0.451  -4.604  -8.585
  101   HD13  ILE  12          HD13      ILE  12   0.611  -5.792  -7.827
  102    H    ARG  13           HN       ARG  13  -1.419  -0.179  -7.056
  103    HA   ARG  13           HA       ARG  13  -0.182   2.021  -8.273
  104    HB2  ARG  13           HB2      ARG  13  -2.627   1.064  -8.402
  105    HB3  ARG  13           HB1      ARG  13  -2.935   2.229  -7.124
  106    HG2  ARG  13           HG2      ARG  13  -2.224   4.043  -8.553
  107    HG3  ARG  13           HG1      ARG  13  -1.788   2.899  -9.825
  108    HD2  ARG  13           HD2      ARG  13  -4.540   3.474  -8.743
  109    HD3  ARG  13           HD1      ARG  13  -3.931   3.835 -10.356
  110    HE   ARG  13           HE       ARG  13  -3.845   1.416 -10.741
  111   HH11  ARG  13          HH11      ARG  13  -5.834   2.568  -8.097
  112   HH12  ARG  13          HH12      ARG  13  -6.850   1.153  -8.067
  113   HH21  ARG  13          HH21      ARG  13  -5.201  -0.439 -10.710
  114   HH22  ARG  13          HH22      ARG  13  -6.477  -0.557  -9.529
  115    H    THR  14           HN       THR  14  -1.547   1.625  -5.032
  116    HA   THR  14           HA       THR  14  -1.138   4.329  -4.258
  117    HB   THR  14           HB       THR  14  -1.367   1.967  -2.391
  118    HG1  THR  14           HG1      THR  14  -3.148   1.756  -3.675
  119   HG21  THR  14          HG21      THR  14  -0.806   4.131  -1.361
  120   HG22  THR  14          HG22      THR  14  -2.424   3.596  -0.905
  121   HG23  THR  14          HG23      THR  14  -2.222   4.855  -2.124
  122    H    VAL  15           HN       VAL  15   0.774   1.380  -4.013
  123    HA   VAL  15           HA       VAL  15   2.765   2.322  -2.265
  124    HB   VAL  15           HB       VAL  15   2.926   0.223  -4.433
  125   HG11  VAL  15          HG11      VAL  15   4.978  -0.551  -3.334
  126   HG12  VAL  15          HG12      VAL  15   4.914   0.834  -2.245
  127   HG13  VAL  15          HG13      VAL  15   5.161   1.083  -3.973
  128   HG21  VAL  15          HG21      VAL  15   2.774  -1.352  -2.575
  129   HG22  VAL  15          HG22      VAL  15   1.373  -0.282  -2.617
  130   HG23  VAL  15          HG23      VAL  15   2.656  -0.008  -1.439
  131    H    ILE  16           HN       ILE  16   2.824   2.093  -5.829
  132    HA   ILE  16           HA       ILE  16   5.287   3.403  -6.138
  133    HB   ILE  16           HB       ILE  16   4.607   3.785  -8.498
  134   HG12  ILE  16          HG12      ILE  16   2.003   2.561  -7.558
  135   HG13  ILE  16          HG11      ILE  16   2.229   4.178  -8.212
  136   HG21  ILE  16          HG21      ILE  16   4.470   1.400  -9.085
  137   HG22  ILE  16          HG22      ILE  16   4.117   1.020  -7.399
  138   HG23  ILE  16          HG23      ILE  16   5.678   1.714  -7.838
  139   HD11  ILE  16          HD11      ILE  16   2.904   3.149 -10.365
  140   HD12  ILE  16          HD12      ILE  16   1.244   2.789  -9.887
  141   HD13  ILE  16          HD13      ILE  16   2.504   1.571  -9.685
  142    H    TYR  17           HN       TYR  17   2.044   4.646  -5.765
  143    HA   TYR  17           HA       TYR  17   2.568   7.290  -6.633
  144    HB2  TYR  17           HB2      TYR  17   0.288   6.316  -6.396
  145    HB3  TYR  17           HB1      TYR  17   0.484   6.352  -4.648
  146    HD1  TYR  17           HD1      TYR  17   0.366   8.525  -7.658
  147    HD2  TYR  17           HD2      TYR  17  -0.034   8.295  -3.428
  148    HE1  TYR  17           HE1      TYR  17  -0.506  10.824  -7.621
  149    HE2  TYR  17           HE2      TYR  17  -0.906  10.593  -3.380
  150    HH   TYR  17           HH       TYR  17  -0.753  12.651  -4.833
  151    H    ILE  18           HN       ILE  18   2.322   5.904  -3.350
  152    HA   ILE  18           HA       ILE  18   3.135   8.273  -2.034
  153    HB   ILE  18           HB       ILE  18   3.183   5.403  -1.089
  154   HG12  ILE  18          HG12      ILE  18   1.262   7.681  -0.545
  155   HG13  ILE  18          HG11      ILE  18   0.949   6.310  -1.604
  156   HG21  ILE  18          HG21      ILE  18   4.797   6.714   0.182
  157   HG22  ILE  18          HG22      ILE  18   3.400   6.310   1.179
  158   HG23  ILE  18          HG23      ILE  18   3.566   7.934   0.512
  159   HD11  ILE  18          HD11      ILE  18  -0.140   6.085   0.576
  160   HD12  ILE  18          HD12      ILE  18   1.440   6.133   1.361
  161   HD13  ILE  18          HD13      ILE  18   1.030   4.798   0.282
  162    H    CYS  19           HN       CYS  19   4.923   5.368  -3.028
  163    HA   CYS  19           HA       CYS  19   7.385   6.019  -1.892
  164    HB2  CYS  19           HB2      CYS  19   6.578   4.334  -4.235
  165    HB3  CYS  19           HB1      CYS  19   8.283   4.624  -3.916
  166    H    ALA  20           HN       ALA  20   6.038   6.923  -5.059
  167    HA   ALA  20           HA       ALA  20   8.402   8.259  -5.921
  168    HB1  ALA  20           HB1      ALA  20   5.570   8.599  -6.900
  169    HB2  ALA  20           HB2      ALA  20   6.749   7.445  -7.523
  170    HB3  ALA  20           HB3      ALA  20   7.027   9.178  -7.711
  171    H    SER  21           HN       SER  21   5.369   9.357  -4.439
  172    HA   SER  21           HA       SER  21   5.858  12.103  -4.555
  173    HB2  SER  21           HB2      SER  21   4.356  10.598  -2.410
  174    HB3  SER  21           HB1      SER  21   4.202  12.314  -2.778
  175    HG   SER  21           HG       SER  21   3.448  10.097  -4.378
  176    H    SER  22           HN       SER  22   6.839   9.710  -2.141
  177    HA   SER  22           HA       SER  22   7.987  11.624  -0.358
  178    HB2  SER  22           HB2      SER  22   8.644   8.676  -0.516
  179    HB3  SER  22           HB1      SER  22   8.768   9.735   0.889
  180    HG   SER  22           HG       SER  22   6.467   8.673  -0.343
  181    H    ARG  23           HN       ARG  23   8.951  10.278  -3.296
  182    HA   ARG  23           HA       ARG  23  11.803  10.587  -2.832
  183    HB2  ARG  23           HB2      ARG  23  11.449   8.740  -4.185
  184    HB3  ARG  23           HB1      ARG  23  10.090   9.478  -5.016
  185    HG2  ARG  23           HG2      ARG  23  11.707   9.415  -6.656
  186    HG3  ARG  23           HG1      ARG  23  11.870  11.056  -6.032
  187    HD2  ARG  23           HD2      ARG  23  13.548   8.768  -5.025
  188    HD3  ARG  23           HD1      ARG  23  14.027   9.766  -6.398
  189    HE   ARG  23           HE       ARG  23  13.501  11.595  -4.478
  190   HH11  ARG  23          HH11      ARG  23  15.514   8.730  -4.544
  191   HH12  ARG  23          HH12      ARG  23  16.643   9.338  -3.381
  192   HH21  ARG  23          HH21      ARG  23  14.972  12.402  -2.946
  193   HH22  ARG  23          HH22      ARG  23  16.334  11.443  -2.465
  194    H    TRP  24           HN       TRP  24   9.159  12.137  -4.561
  195    HA   TRP  24           HA       TRP  24  10.899  14.075  -5.807
  196    HB2  TRP  24           HB2      TRP  24   7.878  13.976  -5.666
  197    HB3  TRP  24           HB1      TRP  24   8.822  15.057  -6.685
  198    HD1  TRP  24           HD1      TRP  24   6.857  12.132  -7.094
  199    HE1  TRP  24           HE1      TRP  24   7.613  10.683  -9.079
  200    HE3  TRP  24           HE3      TRP  24  11.512  14.102  -7.812
  201    HZ2  TRP  24           HZ2      TRP  24   9.885  10.406 -10.728
  202    HZ3  TRP  24           HZ3      TRP  24  12.919  13.189  -9.612
  203    HH2  TRP  24           HH2      TRP  24  12.121  11.377 -11.039
  204    HN1  NH2  25           H1       NH2  25   8.486  14.084  -3.222
  205    HN2  NH2  25           H2       NH2  25   8.981  15.588  -2.529
  206    H1   PCA   1           HN       PCA   1  -1.909 -12.377   5.154
  207    HA   PCA   1           HA       PCA   1  -0.285 -14.299   5.295
  208    HB2  PCA   1           HB2      PCA   1  -0.395 -14.880   2.471
  209    HB3  PCA   1           HB1      PCA   1  -0.819 -15.943   3.829
  210    HG2  PCA   1           HG2      PCA   1  -2.597 -14.632   2.019
  211    HG3  PCA   1           HG1      PCA   1  -3.008 -15.660   3.411
  212    H    ASP   2           HN       ASP   2  -0.355 -13.024   2.008
  213    HA   ASP   2           HA       ASP   2   2.291 -11.905   2.342
  214    HB2  ASP   2           HB2      ASP   2   2.275 -12.816   0.247
  215    HB3  ASP   2           HB1      ASP   2   0.542 -12.590   0.053
  216    H    LEU   3           HN       LEU   3   2.728  -9.622   1.684
  217    HA   LEU   3           HA       LEU   3   1.181  -7.836   3.173
  218    HB2  LEU   3           HB2      LEU   3   3.584  -7.743   1.775
  219    HB3  LEU   3           HB1      LEU   3   2.583  -6.535   0.990
  220    HG   LEU   3           HG       LEU   3   3.139  -6.632   3.953
  221   HD11  LEU   3          HD11      LEU   3   5.166  -6.143   2.701
  222   HD12  LEU   3          HD12      LEU   3   4.592  -4.709   3.552
  223   HD13  LEU   3          HD13      LEU   3   4.325  -4.871   1.816
  224   HD21  LEU   3          HD21      LEU   3   1.013  -5.568   3.394
  225   HD22  LEU   3          HD22      LEU   3   1.837  -4.513   2.246
  226   HD23  LEU   3          HD23      LEU   3   2.186  -4.384   3.970
  227    H    GLN   4           HN       GLN   4   1.289  -8.303  -0.342
  228    HA   GLN   4           HA       GLN   4  -0.746  -6.376  -0.895
  229    HB2  GLN   4           HB2      GLN   4  -0.070  -8.650  -2.737
  230    HB3  GLN   4           HB1      GLN   4  -0.518  -6.998  -3.140
  231    HG2  GLN   4           HG2      GLN   4   1.596  -6.197  -2.827
  232    HG3  GLN   4           HG1      GLN   4   2.014  -7.444  -1.654
  233   HE21  GLN   4          HE21      GLN   4   2.586  -9.518  -2.401
  234   HE22  GLN   4          HE22      GLN   4   3.157  -9.748  -4.019
  235    H    THR   5           HN       THR   5  -0.642  -9.833  -0.424
  236    HA   THR   5           HA       THR   5  -3.287 -10.435  -1.178
  237    HB   THR   5           HB       THR   5  -1.477 -11.894   0.770
  238    HG1  THR   5           HG1      THR   5  -0.609 -11.561  -1.384
  239   HG21  THR   5          HG21      THR   5  -3.919 -12.796  -0.777
  240   HG22  THR   5          HG22      THR   5  -3.751 -12.693   0.976
  241   HG23  THR   5          HG23      THR   5  -2.817 -13.882   0.067
  242    H    LEU   6           HN       LEU   6  -1.844  -9.771   2.010
  243    HA   LEU   6           HA       LEU   6  -4.246 -10.117   3.475
  244    HB2  LEU   6           HB2      LEU   6  -1.964 -10.238   4.445
  245    HB3  LEU   6           HB1      LEU   6  -1.813  -8.507   4.241
  246    HG   LEU   6           HG       LEU   6  -3.937  -8.394   5.724
  247   HD11  LEU   6          HD11      LEU   6  -4.378 -10.821   5.627
  248   HD12  LEU   6          HD12      LEU   6  -4.208 -10.216   7.274
  249   HD13  LEU   6          HD13      LEU   6  -2.883 -11.101   6.519
  250   HD21  LEU   6          HD21      LEU   6  -1.257  -9.199   6.846
  251   HD22  LEU   6          HD22      LEU   6  -2.545  -8.394   7.742
  252   HD23  LEU   6          HD23      LEU   6  -1.754  -7.567   6.400
  253    H    CYS   7           HN       CYS   7  -3.273  -7.672   1.382
  254    HA   CYS   7           HA       CYS   7  -4.386  -5.398   2.618
  255    HB2  CYS   7           HB2      CYS   7  -3.757  -6.137  -0.218
  256    HB3  CYS   7           HB1      CYS   7  -4.643  -4.656   0.129
  257    H    CYS   8           HN       CYS   8  -5.805  -8.112   1.027
  258    HA   CYS   8           HA       CYS   8  -8.395  -6.744   0.873
  259    HB2  CYS   8           HB2      CYS   8  -7.689  -9.490  -0.179
  260    HB3  CYS   8           HB1      CYS   8  -9.111  -8.529  -0.573
  261    H    THR   9           HN       THR   9  -6.635  -9.093   2.682
  262    HA   THR   9           HA       THR   9  -8.948 -10.322   3.894
  263    HB   THR   9           HB       THR   9  -6.453 -10.686   5.341
  264    HG1  THR   9           HG1      THR   9  -5.492 -11.864   3.479
  265   HG21  THR   9          HG21      THR   9  -6.913 -13.045   4.878
  266   HG22  THR   9          HG22      THR   9  -8.175 -12.580   3.738
  267   HG23  THR   9          HG23      THR   9  -8.361 -12.219   5.454
  268    H    ASP  10           HN       ASP  10  -6.319  -8.197   4.983
  269    HA   ASP  10           HA       ASP  10  -7.964  -7.367   7.291
  270    HB2  ASP  10           HB2      ASP  10  -5.839  -8.332   8.002
  271    HB3  ASP  10           HB1      ASP  10  -4.965  -7.308   6.873
  272    H    GLY  11           HN       GLY  11  -5.553  -6.199   4.993
  273    HA2  GLY  11           HA2      GLY  11  -6.195  -4.283   3.577
  274    HA3  GLY  11           HA1      GLY  11  -6.884  -3.567   5.031
  275    H    CYS  12           HN       CYS  12  -4.563  -2.905   3.098
  276    HA   CYS  12           HA       CYS  12  -2.372  -2.804   5.010
  277    HB2  CYS  12           HB2      CYS  12  -1.463  -1.456   2.823
  278    HB3  CYS  12           HB1      CYS  12  -1.306  -3.196   3.050
  279    H    SER  13           HN       SER  13  -1.613  -0.958   5.934
  280    HA   SER  13           HA       SER  13  -3.355   1.383   5.642
  281    HB2  SER  13           HB2      SER  13  -1.380   0.812   7.855
  282    HB3  SER  13           HB1      SER  13  -2.719   1.962   7.869
  283    HG   SER  13           HG       SER  13  -4.157   0.285   7.953
  284    H    MET  14           HN       MET  14  -2.114   3.505   6.103
  285    HA   MET  14           HA       MET  14  -0.149   3.804   4.069
  286    HB2  MET  14           HB2      MET  14  -1.798   5.559   5.065
  287    HB3  MET  14           HB1      MET  14  -0.556   5.790   6.283
  288    HG2  MET  14           HG2      MET  14   1.054   6.390   4.575
  289    HG3  MET  14           HG1      MET  14  -0.146   6.101   3.318
  290    HE1  MET  14           HE1      MET  14   1.592   8.811   3.715
  291    HE2  MET  14           HE2      MET  14   0.357  10.014   3.340
  292    HE3  MET  14           HE3      MET  14   0.476   8.542   2.377
  293    H    THR  15           HN       THR  15  -0.159   3.281   7.458
  294    HA   THR  15           HA       THR  15   2.462   3.936   8.143
  295    HB   THR  15           HB       THR  15   1.903   1.768   9.743
  296    HG1  THR  15           HG1      THR  15  -0.596   3.050   9.204
  297   HG21  THR  15          HG21      THR  15   0.935   4.612  10.067
  298   HG22  THR  15          HG22      THR  15   2.531   4.004  10.508
  299   HG23  THR  15          HG23      THR  15   1.100   3.430  11.365
  300    H    ASP  16           HN       ASP  16   1.182   0.678   7.320
  301    HA   ASP  16           HA       ASP  16   3.703  -0.588   7.263
  302    HB2  ASP  16           HB2      ASP  16   1.565  -1.585   5.437
  303    HB3  ASP  16           HB1      ASP  16   2.611  -2.482   6.528
  304    H    LEU  17           HN       LEU  17   1.749   0.911   4.749
  305    HA   LEU  17           HA       LEU  17   3.302   0.206   2.531
  306    HB2  LEU  17           HB2      LEU  17   0.960   1.293   2.689
  307    HB3  LEU  17           HB1      LEU  17   1.826   2.815   2.752
  308    HG   LEU  17           HG       LEU  17   2.348   0.908   0.505
  309   HD11  LEU  17          HD11      LEU  17   0.578   2.022  -0.786
  310   HD12  LEU  17          HD12      LEU  17   0.050   2.845   0.682
  311   HD13  LEU  17          HD13      LEU  17  -0.061   1.089   0.567
  312   HD21  LEU  17          HD21      LEU  17   2.708   3.807   1.065
  313   HD22  LEU  17          HD22      LEU  17   2.475   3.284  -0.601
  314   HD23  LEU  17          HD23      LEU  17   3.826   2.652   0.340
  315    H    SER  18           HN       SER  18   3.496   3.089   4.632
  316    HA   SER  18           HA       SER  18   5.525   4.391   3.173
  317    HB2  SER  18           HB2      SER  18   4.942   4.559   6.144
  318    HB3  SER  18           HB1      SER  18   5.901   5.712   5.215
  319    HG   SER  18           HG       SER  18   3.127   5.177   5.046
  320    H    ALA  19           HN       ALA  19   5.626   1.902   5.660
  321    HA   ALA  19           HA       ALA  19   8.416   2.010   6.146
  322    HB1  ALA  19           HB1      ALA  19   6.860   0.907   7.680
  323    HB2  ALA  19           HB2      ALA  19   8.133  -0.198   7.161
  324    HB3  ALA  19           HB3      ALA  19   6.519  -0.318   6.459
  325    H    LEU  20           HN       LEU  20   6.461   0.622   3.665
  326    HA   LEU  20           HA       LEU  20   8.529  -1.090   2.597
  327    HB2  LEU  20           HB2      LEU  20   5.991  -1.453   2.457
  328    HB3  LEU  20           HB1      LEU  20   6.000  -0.219   1.213
  329    HG   LEU  20           HG       LEU  20   7.836  -1.790   0.138
  330   HD11  LEU  20          HD11      LEU  20   7.275  -4.154   0.535
  331   HD12  LEU  20          HD12      LEU  20   6.204  -3.657   1.846
  332   HD13  LEU  20          HD13      LEU  20   7.940  -3.365   1.965
  333   HD21  LEU  20          HD21      LEU  20   4.867  -2.311   0.062
  334   HD22  LEU  20          HD22      LEU  20   6.032  -2.898  -1.124
  335   HD23  LEU  20          HD23      LEU  20   5.761  -1.165  -0.939
  336    H    CYS  21           HN       CYS  21   7.412   2.140   2.260
  337    HA   CYS  21           HA       CYS  21   8.708   2.608  -0.285
  338    HB2  CYS  21           HB2      CYS  21   6.985   4.187   1.573
  339    HB3  CYS  21           HB1      CYS  21   8.003   5.064   0.443
  340    HN1  NH2  22           H1       NH2  22  10.736   1.789   0.912
  341    HN2  NH2  22           H2       NH2  22  11.748   3.013   1.596
  Start of MODEL   17
    1    H1   LYS   1           HN       LYS   1 -12.602  -2.198  12.743
    2    HA   LYS   1           HA       LYS   1 -10.392  -0.398  13.025
    3    HB2  LYS   1           HB2      LYS   1  -9.433  -2.308  14.186
    4    HB3  LYS   1           HB1      LYS   1  -9.873  -3.376  12.862
    5    HG2  LYS   1           HG2      LYS   1  -8.154  -1.095  12.139
    6    HG3  LYS   1           HG1      LYS   1  -7.424  -2.309  13.190
    7    HD2  LYS   1           HD2      LYS   1  -7.737  -4.022  11.604
    8    HD3  LYS   1           HD1      LYS   1  -8.886  -3.061  10.672
    9    HE2  LYS   1           HE2      LYS   1  -7.052  -1.504  10.095
   10    HE3  LYS   1           HE1      LYS   1  -5.925  -2.556  10.949
   11    HZ1  LYS   1           HZ1      LYS   1  -5.984  -2.906   8.514
   12    HZ2  LYS   1           HZ2      LYS   1  -7.588  -3.433   8.651
   13    HZ3  LYS   1           HZ3      LYS   1  -6.343  -4.305   9.403
   14    H    GLU   2           HN       GLU   2  -9.911   0.424  11.086
   15    HA   GLU   2           HA       GLU   2 -10.298  -1.156   8.683
   16    HB2  GLU   2           HB2      GLU   2 -12.469   0.050   9.138
   17    HB3  GLU   2           HB1      GLU   2 -11.594   1.564   8.948
   18    HG2  GLU   2           HG2      GLU   2 -12.860   0.784   6.928
   19    HG3  GLU   2           HG1      GLU   2 -11.151   1.135   6.665
   20    H    SER   3           HN       SER   3  -9.228  -0.267   6.851
   21    HA   SER   3           HA       SER   3  -7.531   2.055   7.177
   22    HB2  SER   3           HB2      SER   3  -6.307  -0.697   6.831
   23    HB3  SER   3           HB1      SER   3  -5.430   0.834   6.809
   24    HG   SER   3           HG       SER   3  -6.876   0.760   9.032
   25    H    VAL   4           HN       VAL   4  -5.793   1.527   5.019
   26    HA   VAL   4           HA       VAL   4  -7.698   1.821   2.871
   27    HB   VAL   4           HB       VAL   4  -5.699   2.145   1.400
   28   HG11  VAL   4          HG11      VAL   4  -5.138   4.357   2.313
   29   HG12  VAL   4          HG12      VAL   4  -5.912   3.911   3.834
   30   HG13  VAL   4          HG13      VAL   4  -6.871   4.034   2.359
   31   HG21  VAL   4          HG21      VAL   4  -4.175   2.017   4.003
   32   HG22  VAL   4          HG22      VAL   4  -3.520   2.530   2.448
   33   HG23  VAL   4          HG23      VAL   4  -4.057   0.865   2.673
   34    H    ARG   5           HN       ARG   5  -8.487   0.225   1.756
   35    HA   ARG   5           HA       ARG   5  -7.162  -2.367   1.828
   36    HB2  ARG   5           HB2      ARG   5  -9.934  -1.541   0.965
   37    HB3  ARG   5           HB1      ARG   5  -9.314  -3.182   0.808
   38    HG2  ARG   5           HG2      ARG   5  -8.994  -3.311   3.211
   39    HG3  ARG   5           HG1      ARG   5  -9.566  -1.654   3.387
   40    HD2  ARG   5           HD2      ARG   5 -11.736  -2.366   2.401
   41    HD3  ARG   5           HD1      ARG   5 -11.145  -4.029   2.415
   42    HE   ARG   5           HE       ARG   5 -11.900  -2.408   4.726
   43   HH11  ARG   5          HH11      ARG   5 -10.541  -5.402   3.512
   44   HH12  ARG   5          HH12      ARG   5 -10.703  -6.233   5.027
   45   HH21  ARG   5          HH21      ARG   5 -12.119  -3.461   6.688
   46   HH22  ARG   5          HH22      ARG   5 -11.610  -5.117   6.853
   47    H    LEU   6           HN       LEU   6  -5.517  -2.120   0.429
   48    HA   LEU   6           HA       LEU   6  -6.178  -1.482  -2.362
   49    HB2  LEU   6           HB2      LEU   6  -3.446  -1.613  -1.095
   50    HB3  LEU   6           HB1      LEU   6  -3.863  -0.943  -2.661
   51    HG   LEU   6           HG       LEU   6  -4.909   0.221  -0.090
   52   HD11  LEU   6          HD11      LEU   6  -2.486   0.271   0.013
   53   HD12  LEU   6          HD12      LEU   6  -3.126   1.891  -0.269
   54   HD13  LEU   6          HD13      LEU   6  -2.415   0.979  -1.600
   55   HD21  LEU   6          HD21      LEU   6  -6.122   0.824  -2.113
   56   HD22  LEU   6          HD22      LEU   6  -4.617   1.330  -2.880
   57   HD23  LEU   6          HD23      LEU   6  -5.233   2.209  -1.481
   58    H    CYS   7           HN       CYS   7  -6.586  -3.264  -3.495
   59    HA   CYS   7           HA       CYS   7  -5.227  -5.752  -2.784
   60    HB2  CYS   7           HB2      CYS   7  -7.352  -5.640  -4.872
   61    HB3  CYS   7           HB1      CYS   7  -7.019  -6.883  -3.670
   62    H    GLY   8           HN       GLY   8  -3.450  -6.250  -3.817
   63    HA2  GLY   8           HA2      GLY   8  -1.839  -6.466  -5.435
   64    HA3  GLY   8           HA1      GLY   8  -3.189  -6.730  -6.520
   65    H    LEU   9           HN       LEU   9  -3.677  -5.227  -8.004
   66    HA   LEU   9           HA       LEU   9  -1.774  -3.417  -8.864
   67    HB2  LEU   9           HB2      LEU   9  -4.748  -3.383  -9.371
   68    HB3  LEU   9           HB1      LEU   9  -3.564  -2.471 -10.286
   69    HG   LEU   9           HG       LEU   9  -3.658  -5.485 -10.131
   70   HD11  LEU   9          HD11      LEU   9  -5.600  -4.606 -11.302
   71   HD12  LEU   9          HD12      LEU   9  -4.485  -5.376 -12.431
   72   HD13  LEU   9          HD13      LEU   9  -4.554  -3.617 -12.321
   73   HD21  LEU   9          HD21      LEU   9  -2.009  -3.597 -11.809
   74   HD22  LEU   9          HD22      LEU   9  -2.087  -5.344 -12.035
   75   HD23  LEU   9          HD23      LEU   9  -1.421  -4.678 -10.545
   76    H    GLU  10           HN       GLU  10  -4.637  -2.834  -6.867
   77    HA   GLU  10           HA       GLU  10  -4.404  -0.033  -6.750
   78    HB2  GLU  10           HB2      GLU  10  -5.534  -1.807  -4.580
   79    HB3  GLU  10           HB1      GLU  10  -5.938  -0.126  -4.901
   80    HG2  GLU  10           HG2      GLU  10  -6.708  -2.573  -6.444
   81    HG3  GLU  10           HG1      GLU  10  -7.742  -1.327  -5.747
   82    H    TYR  11           HN       TYR  11  -2.991  -2.608  -4.828
   83    HA   TYR  11           HA       TYR  11  -1.858  -0.922  -2.833
   84    HB2  TYR  11           HB2      TYR  11  -2.239  -3.285  -2.380
   85    HB3  TYR  11           HB1      TYR  11  -1.153  -3.740  -3.689
   86    HD1  TYR  11           HD1      TYR  11  -1.150  -1.765  -0.520
   87    HD2  TYR  11           HD2      TYR  11   1.035  -4.281  -3.164
   88    HE1  TYR  11           HE1      TYR  11   0.733  -1.781   1.059
   89    HE2  TYR  11           HE2      TYR  11   2.924  -4.303  -1.589
   90    HH   TYR  11           HH       TYR  11   2.663  -3.132   1.608
   91    H    ILE  12           HN       ILE  12  -0.474  -2.649  -5.596
   92    HA   ILE  12           HA       ILE  12   2.133  -1.724  -5.446
   93    HB   ILE  12           HB       ILE  12   0.522  -2.385  -7.917
   94   HG12  ILE  12          HG12      ILE  12   2.467  -4.171  -6.465
   95   HG13  ILE  12          HG11      ILE  12   0.754  -4.131  -6.059
   96   HG21  ILE  12          HG21      ILE  12   2.531  -1.142  -8.498
   97   HG22  ILE  12          HG22      ILE  12   2.684  -2.831  -8.984
   98   HG23  ILE  12          HG23      ILE  12   3.512  -2.251  -7.539
   99   HD11  ILE  12          HD11      ILE  12   1.936  -4.854  -8.728
  100   HD12  ILE  12          HD12      ILE  12   0.213  -4.764  -8.364
  101   HD13  ILE  12          HD13      ILE  12   1.225  -5.963  -7.556
  102    H    ARG  13           HN       ARG  13  -0.635  -0.309  -7.152
  103    HA   ARG  13           HA       ARG  13   0.712   1.815  -8.387
  104    HB2  ARG  13           HB2      ARG  13  -1.724   0.897  -8.660
  105    HB3  ARG  13           HB1      ARG  13  -2.111   2.098  -7.436
  106    HG2  ARG  13           HG2      ARG  13  -1.226   3.859  -8.865
  107    HG3  ARG  13           HG1      ARG  13  -0.802   2.660 -10.089
  108    HD2  ARG  13           HD2      ARG  13  -3.551   3.435  -9.136
  109    HD3  ARG  13           HD1      ARG  13  -2.868   3.648 -10.747
  110    HE   ARG  13           HE       ARG  13  -2.933   1.213 -10.978
  111   HH11  ARG  13          HH11      ARG  13  -4.901   2.649  -8.462
  112   HH12  ARG  13          HH12      ARG  13  -5.999   1.300  -8.363
  113   HH21  ARG  13          HH21      ARG  13  -4.397  -0.554 -10.859
  114   HH22  ARG  13          HH22      ARG  13  -5.699  -0.521  -9.701
  115    H    THR  14           HN       THR  14  -0.863   1.614  -5.216
  116    HA   THR  14           HA       THR  14  -0.440   4.363  -4.603
  117    HB   THR  14           HB       THR  14  -0.914   2.135  -2.619
  118    HG1  THR  14           HG1      THR  14  -2.626   1.963  -3.987
  119   HG21  THR  14          HG21      THR  14  -1.962   3.909  -1.293
  120   HG22  THR  14          HG22      THR  14  -1.579   5.084  -2.551
  121   HG23  THR  14          HG23      THR  14  -0.280   4.301  -1.650
  122    H    VAL  15           HN       VAL  15   1.348   1.379  -3.953
  123    HA   VAL  15           HA       VAL  15   3.209   2.442  -2.134
  124    HB   VAL  15           HB       VAL  15   3.483   0.144  -4.077
  125   HG11  VAL  15          HG11      VAL  15   5.440  -0.554  -2.778
  126   HG12  VAL  15          HG12      VAL  15   5.337   0.927  -1.826
  127   HG13  VAL  15          HG13      VAL  15   5.705   1.010  -3.549
  128   HG21  VAL  15          HG21      VAL  15   1.803  -0.154  -2.333
  129   HG22  VAL  15          HG22      VAL  15   3.006   0.225  -1.101
  130   HG23  VAL  15          HG23      VAL  15   3.176  -1.231  -2.080
  131    H    ILE  16           HN       ILE  16   3.522   1.951  -5.664
  132    HA   ILE  16           HA       ILE  16   6.037   3.182  -5.879
  133    HB   ILE  16           HB       ILE  16   5.555   3.436  -8.292
  134   HG12  ILE  16          HG12      ILE  16   2.823   2.389  -7.516
  135   HG13  ILE  16          HG11      ILE  16   3.182   3.968  -8.206
  136   HG21  ILE  16          HG21      ILE  16   6.452   1.353  -7.442
  137   HG22  ILE  16          HG22      ILE  16   5.332   1.035  -8.767
  138   HG23  ILE  16          HG23      ILE  16   4.824   0.765  -7.100
  139   HD11  ILE  16          HD11      ILE  16   3.447   1.295  -9.559
  140   HD12  ILE  16          HD12      ILE  16   3.976   2.827 -10.258
  141   HD13  ILE  16          HD13      ILE  16   2.268   2.560  -9.906
  142    H    TYR  17           HN       TYR  17   2.799   4.504  -5.820
  143    HA   TYR  17           HA       TYR  17   3.443   7.103  -6.732
  144    HB2  TYR  17           HB2      TYR  17   1.136   6.367  -6.703
  145    HB3  TYR  17           HB1      TYR  17   1.194   6.117  -4.962
  146    HD1  TYR  17           HD1      TYR  17   1.688   8.839  -7.479
  147    HD2  TYR  17           HD2      TYR  17   0.335   7.767  -3.589
  148    HE1  TYR  17           HE1      TYR  17   0.889  11.138  -7.128
  149    HE2  TYR  17           HE2      TYR  17  -0.467  10.063  -3.229
  150    HH   TYR  17           HH       TYR  17  -0.649  12.368  -5.778
  151    H    ILE  18           HN       ILE  18   3.100   5.737  -3.461
  152    HA   ILE  18           HA       ILE  18   3.770   8.087  -2.060
  153    HB   ILE  18           HB       ILE  18   4.094   5.196  -1.231
  154   HG12  ILE  18          HG12      ILE  18   1.959   7.216  -0.511
  155   HG13  ILE  18          HG11      ILE  18   1.774   5.965  -1.735
  156   HG21  ILE  18          HG21      ILE  18   4.217   7.692   0.461
  157   HG22  ILE  18          HG22      ILE  18   5.565   6.617   0.091
  158   HG23  ILE  18          HG23      ILE  18   4.218   6.036   1.071
  159   HD11  ILE  18          HD11      ILE  18   0.718   5.354   0.380
  160   HD12  ILE  18          HD12      ILE  18   2.278   5.480   1.192
  161   HD13  ILE  18          HD13      ILE  18   2.023   4.245  -0.042
  162    H    CYS  19           HN       CYS  19   5.752   5.329  -3.100
  163    HA   CYS  19           HA       CYS  19   8.182   6.168  -2.018
  164    HB2  CYS  19           HB2      CYS  19   7.669   4.561  -4.529
  165    HB3  CYS  19           HB1      CYS  19   9.236   4.719  -3.747
  166    H    ALA  20           HN       ALA  20   6.700   6.919  -5.155
  167    HA   ALA  20           HA       ALA  20   8.914   8.399  -6.141
  168    HB1  ALA  20           HB1      ALA  20   7.376   9.223  -7.848
  169    HB2  ALA  20           HB2      ALA  20   6.012   8.561  -6.945
  170    HB3  ALA  20           HB3      ALA  20   7.220   7.478  -7.637
  171    H    SER  21           HN       SER  21   5.870   9.367  -4.579
  172    HA   SER  21           HA       SER  21   6.221  12.127  -4.697
  173    HB2  SER  21           HB2      SER  21   4.865  10.567  -2.486
  174    HB3  SER  21           HB1      SER  21   4.587  12.260  -2.899
  175    HG   SER  21           HG       SER  21   3.926   9.945  -4.388
  176    H    SER  22           HN       SER  22   7.506   9.778  -2.424
  177    HA   SER  22           HA       SER  22   8.498  11.672  -0.552
  178    HB2  SER  22           HB2      SER  22   9.433   8.833  -1.024
  179    HB3  SER  22           HB1      SER  22   9.674   9.792   0.437
  180    HG   SER  22           HG       SER  22   7.255   8.745  -0.605
  181    H    ARG  23           HN       ARG  23   9.613  10.610  -3.623
  182    HA   ARG  23           HA       ARG  23  12.351  11.461  -3.074
  183    HB2  ARG  23           HB2      ARG  23  13.015  10.211  -4.855
  184    HB3  ARG  23           HB1      ARG  23  11.494   9.392  -4.547
  185    HG2  ARG  23           HG2      ARG  23  10.908   9.792  -6.641
  186    HG3  ARG  23           HG1      ARG  23  10.890  11.517  -6.277
  187    HD2  ARG  23           HD2      ARG  23  13.377  10.013  -7.075
  188    HD3  ARG  23           HD1      ARG  23  12.326  10.830  -8.231
  189    HE   ARG  23           HE       ARG  23  13.061  12.618  -6.168
  190   HH11  ARG  23          HH11      ARG  23  14.407  11.011  -8.974
  191   HH12  ARG  23          HH12      ARG  23  15.576  12.249  -9.283
  192   HH21  ARG  23          HH21      ARG  23  14.587  14.250  -6.565
  193   HH22  ARG  23          HH22      ARG  23  15.681  14.106  -7.902
  194    H    TRP  24           HN       TRP  24   9.439  12.659  -4.378
  195    HA   TRP  24           HA       TRP  24  10.724  14.696  -5.994
  196    HB2  TRP  24           HB2      TRP  24   7.805  14.265  -5.318
  197    HB3  TRP  24           HB1      TRP  24   8.410  15.488  -6.427
  198    HD1  TRP  24           HD1      TRP  24   6.647  12.495  -6.731
  199    HE1  TRP  24           HE1      TRP  24   7.202  11.165  -8.859
  200    HE3  TRP  24           HE3      TRP  24  11.074  14.735  -7.962
  201    HZ2  TRP  24           HZ2      TRP  24   9.242  11.074 -10.802
  202    HZ3  TRP  24           HZ3      TRP  24  12.264  13.966  -9.971
  203    HH2  TRP  24           HH2      TRP  24  11.366  12.173 -11.362
  204    HN1  NH2  25           H1       NH2  25   8.697  14.564  -3.093
  205    HN2  NH2  25           H2       NH2  25   9.197  16.092  -2.461
  206    H1   PCA   1           HN       PCA   1  -3.079 -12.560   4.536
  207    HA   PCA   1           HA       PCA   1  -1.501 -13.780   6.099
  208    HB2  PCA   1           HB2      PCA   1  -0.400 -15.409   3.982
  209    HB3  PCA   1           HB1      PCA   1  -1.205 -15.937   5.474
  210    HG2  PCA   1           HG2      PCA   1  -2.256 -15.960   2.815
  211    HG3  PCA   1           HG1      PCA   1  -3.063 -16.456   4.322
  212    H    ASP   2           HN       ASP   2  -1.065 -13.078   2.673
  213    HA   ASP   2           HA       ASP   2   1.620 -12.121   3.032
  214    HB2  ASP   2           HB2      ASP   2   1.460 -13.025   0.932
  215    HB3  ASP   2           HB1      ASP   2  -0.212 -12.522   0.730
  216    H    LEU   3           HN       LEU   3   2.314  -9.945   2.557
  217    HA   LEU   3           HA       LEU   3   0.905  -7.998   3.989
  218    HB2  LEU   3           HB2      LEU   3   3.265  -7.795   3.733
  219    HB3  LEU   3           HB1      LEU   3   3.143  -7.798   1.986
  220    HG   LEU   3           HG       LEU   3   2.009  -5.585   2.099
  221   HD11  LEU   3          HD11      LEU   3   2.160  -4.304   4.190
  222   HD12  LEU   3          HD12      LEU   3   2.722  -5.754   5.024
  223   HD13  LEU   3          HD13      LEU   3   1.097  -5.704   4.340
  224   HD21  LEU   3          HD21      LEU   3   4.718  -5.718   3.415
  225   HD22  LEU   3          HD22      LEU   3   4.024  -4.315   2.600
  226   HD23  LEU   3          HD23      LEU   3   4.409  -5.769   1.679
  227    H    GLN   4           HN       GLN   4   1.311  -8.332   0.463
  228    HA   GLN   4           HA       GLN   4  -0.336  -6.130  -0.217
  229    HB2  GLN   4           HB2      GLN   4   0.017  -8.544  -1.979
  230    HB3  GLN   4           HB1      GLN   4  -0.142  -6.857  -2.448
  231    HG2  GLN   4           HG2      GLN   4   2.055  -6.390  -2.044
  232    HG3  GLN   4           HG1      GLN   4   2.217  -7.654  -0.826
  233   HE21  GLN   4          HE21      GLN   4   2.490  -9.811  -1.499
  234   HE22  GLN   4          HE22      GLN   4   3.082 -10.175  -3.085
  235    H    THR   5           HN       THR   5  -0.889  -9.551   0.206
  236    HA   THR   5           HA       THR   5  -3.551  -9.705  -0.627
  237    HB   THR   5           HB       THR   5  -2.069 -11.359   1.440
  238    HG1  THR   5           HG1      THR   5  -1.156 -11.333  -0.700
  239   HG21  THR   5          HG21      THR   5  -3.739 -13.093   0.974
  240   HG22  THR   5          HG22      THR   5  -4.597 -11.994  -0.105
  241   HG23  THR   5          HG23      THR   5  -4.509 -11.644   1.622
  242    H    LEU   6           HN       LEU   6  -2.279  -9.446   2.717
  243    HA   LEU   6           HA       LEU   6  -4.827  -9.134   3.893
  244    HB2  LEU   6           HB2      LEU   6  -2.038  -8.685   4.828
  245    HB3  LEU   6           HB1      LEU   6  -3.357  -8.044   5.781
  246    HG   LEU   6           HG       LEU   6  -2.729 -10.921   5.178
  247   HD11  LEU   6          HD11      LEU   6  -3.199  -9.430   7.753
  248   HD12  LEU   6          HD12      LEU   6  -1.620  -9.858   7.092
  249   HD13  LEU   6          HD13      LEU   6  -2.740 -11.126   7.592
  250   HD21  LEU   6          HD21      LEU   6  -5.049 -10.892   4.832
  251   HD22  LEU   6          HD22      LEU   6  -5.312  -9.716   6.120
  252   HD23  LEU   6          HD23      LEU   6  -4.851 -11.371   6.518
  253    H    CYS   7           HN       CYS   7  -2.809  -6.908   2.218
  254    HA   CYS   7           HA       CYS   7  -3.707  -4.517   3.412
  255    HB2  CYS   7           HB2      CYS   7  -2.406  -5.235   0.835
  256    HB3  CYS   7           HB1      CYS   7  -3.204  -3.667   0.926
  257    H    CYS   8           HN       CYS   8  -5.238  -6.783   1.403
  258    HA   CYS   8           HA       CYS   8  -7.408  -4.911   0.750
  259    HB2  CYS   8           HB2      CYS   8  -6.370  -6.186  -1.124
  260    HB3  CYS   8           HB1      CYS   8  -6.855  -7.684  -0.342
  261    H    THR   9           HN       THR   9  -6.698  -8.088   2.132
  262    HA   THR   9           HA       THR   9  -9.324  -8.769   2.886
  263    HB   THR   9           HB       THR   9  -6.919  -9.720   4.400
  264    HG1  THR   9           HG1      THR   9  -7.283 -11.251   2.254
  265   HG21  THR   9          HG21      THR   9  -9.151 -10.575   4.995
  266   HG22  THR   9          HG22      THR   9  -8.102 -11.843   4.362
  267   HG23  THR   9          HG23      THR   9  -9.360 -11.148   3.340
  268    H    ASP  10           HN       ASP  10  -6.675  -7.248   4.717
  269    HA   ASP  10           HA       ASP  10  -8.590  -6.697   6.886
  270    HB2  ASP  10           HB2      ASP  10  -6.746  -8.070   7.642
  271    HB3  ASP  10           HB1      ASP  10  -5.580  -6.940   6.963
  272    H    GLY  11           HN       GLY  11  -5.934  -5.286   5.007
  273    HA2  GLY  11           HA2      GLY  11  -6.119  -3.046   4.137
  274    HA3  GLY  11           HA1      GLY  11  -7.091  -2.626   5.542
  275    H    CYS  12           HN       CYS  12  -4.196  -2.082   4.201
  276    HA   CYS  12           HA       CYS  12  -2.690  -2.146   6.718
  277    HB2  CYS  12           HB2      CYS  12  -0.770  -1.497   5.086
  278    HB3  CYS  12           HB1      CYS  12  -1.375  -3.150   5.083
  279    H    SER  13           HN       SER  13  -0.979  -0.223   6.721
  280    HA   SER  13           HA       SER  13  -2.558   2.250   6.410
  281    HB2  SER  13           HB2      SER  13  -1.399   3.140   8.323
  282    HB3  SER  13           HB1      SER  13  -1.988   1.537   8.760
  283    HG   SER  13           HG       SER  13   0.101   0.718   8.424
  284    H    MET  14           HN       MET  14  -1.126   4.239   6.197
  285    HA   MET  14           HA       MET  14   0.381   4.082   3.845
  286    HB2  MET  14           HB2      MET  14  -0.769   6.111   4.937
  287    HB3  MET  14           HB1      MET  14   0.707   6.277   5.870
  288    HG2  MET  14           HG2      MET  14   2.001   6.554   3.848
  289    HG3  MET  14           HG1      MET  14   0.562   6.295   2.864
  290    HE1  MET  14           HE1      MET  14  -1.318   8.001   2.488
  291    HE2  MET  14           HE2      MET  14  -1.526   9.489   3.413
  292    HE3  MET  14           HE3      MET  14  -1.726   7.925   4.202
  293    H    THR  15           HN       THR  15   1.270   4.013   7.188
  294    HA   THR  15           HA       THR  15   4.019   4.383   7.056
  295    HB   THR  15           HB       THR  15   3.375   2.389   9.025
  296    HG1  THR  15           HG1      THR  15   1.289   2.873   9.169
  297   HG21  THR  15          HG21      THR  15   3.944   4.202  10.576
  298   HG22  THR  15          HG22      THR  15   3.868   5.364   9.251
  299   HG23  THR  15          HG23      THR  15   5.109   4.111   9.255
  300    H    ASP  16           HN       ASP  16   2.201   1.321   7.044
  301    HA   ASP  16           HA       ASP  16   4.348  -0.415   6.713
  302    HB2  ASP  16           HB2      ASP  16   1.750  -1.035   5.364
  303    HB3  ASP  16           HB1      ASP  16   2.788  -2.084   6.322
  304    H    LEU  17           HN       LEU  17   2.378   1.252   4.296
  305    HA   LEU  17           HA       LEU  17   3.559   0.061   2.027
  306    HB2  LEU  17           HB2      LEU  17   1.957   2.522   2.540
  307    HB3  LEU  17           HB1      LEU  17   2.818   2.417   1.018
  308    HG   LEU  17           HG       LEU  17   1.636   0.172   0.690
  309   HD11  LEU  17          HD11      LEU  17  -0.504  -0.066   1.865
  310   HD12  LEU  17          HD12      LEU  17  -0.089   1.314   2.882
  311   HD13  LEU  17          HD13      LEU  17   0.870  -0.164   2.967
  312   HD21  LEU  17          HD21      LEU  17   1.079   2.155  -0.582
  313   HD22  LEU  17          HD22      LEU  17   0.043   2.727   0.726
  314   HD23  LEU  17          HD23      LEU  17  -0.385   1.265  -0.163
  315    H    SER  18           HN       SER  18   4.375   2.932   3.909
  316    HA   SER  18           HA       SER  18   6.419   3.894   2.186
  317    HB2  SER  18           HB2      SER  18   6.122   4.367   5.163
  318    HB3  SER  18           HB1      SER  18   7.015   5.367   4.016
  319    HG   SER  18           HG       SER  18   4.211   4.893   3.961
  320    H    ALA  19           HN       ALA  19   6.308   1.329   4.484
  321    HA   ALA  19           HA       ALA  19   9.051   1.223   5.172
  322    HB1  ALA  19           HB1      ALA  19   7.043  -1.027   5.058
  323    HB2  ALA  19           HB2      ALA  19   7.339   0.025   6.442
  324    HB3  ALA  19           HB3      ALA  19   8.602  -1.072   5.882
  325    H    LEU  20           HN       LEU  20   7.291   0.333   2.347
  326    HA   LEU  20           HA       LEU  20   9.461  -1.301   1.286
  327    HB2  LEU  20           HB2      LEU  20   6.728  -0.553   0.261
  328    HB3  LEU  20           HB1      LEU  20   7.910  -1.347  -0.761
  329    HG   LEU  20           HG       LEU  20   7.969  -3.145   1.116
  330   HD11  LEU  20          HD11      LEU  20   5.255  -1.946   1.627
  331   HD12  LEU  20          HD12      LEU  20   6.637  -1.815   2.715
  332   HD13  LEU  20          HD13      LEU  20   5.934  -3.395   2.369
  333   HD21  LEU  20          HD21      LEU  20   7.149  -3.540  -1.136
  334   HD22  LEU  20          HD22      LEU  20   5.594  -2.824  -0.711
  335   HD23  LEU  20          HD23      LEU  20   6.110  -4.330   0.049
  336    H    CYS  21           HN       CYS  21   8.632   1.897   1.514
  337    HA   CYS  21           HA       CYS  21   9.729   2.730  -1.043
  338    HB2  CYS  21           HB2      CYS  21   8.442   4.179   1.264
  339    HB3  CYS  21           HB1      CYS  21   9.227   5.048  -0.045
  340    HN1  NH2  22           H1       NH2  22  11.752   1.554  -0.160
  341    HN2  NH2  22           H2       NH2  22  12.911   2.562   0.634
  Start of MODEL   18
    1    H1   LYS   1           HN       LYS   1  -7.032  -4.763  11.514
    2    HA   LYS   1           HA       LYS   1  -7.939  -2.606  13.117
    3    HB2  LYS   1           HB2      LYS   1  -5.921  -1.107  12.676
    4    HB3  LYS   1           HB1      LYS   1  -5.750  -2.316  13.940
    5    HG2  LYS   1           HG2      LYS   1  -3.857  -2.912  12.945
    6    HG3  LYS   1           HG1      LYS   1  -4.854  -3.614  11.669
    7    HD2  LYS   1           HD2      LYS   1  -4.829  -1.064  10.847
    8    HD3  LYS   1           HD1      LYS   1  -3.281  -1.105  11.695
    9    HE2  LYS   1           HE2      LYS   1  -2.992  -1.658   9.341
   10    HE3  LYS   1           HE1      LYS   1  -2.605  -3.043  10.361
   11    HZ1  LYS   1           HZ1      LYS   1  -5.343  -2.813   9.354
   12    HZ2  LYS   1           HZ2      LYS   1  -4.414  -4.202   9.644
   13    HZ3  LYS   1           HZ3      LYS   1  -4.138  -3.269   8.255
   14    H    GLU   2           HN       GLU   2  -9.142  -1.376  11.839
   15    HA   GLU   2           HA       GLU   2  -9.352  -1.827   9.083
   16    HB2  GLU   2           HB2      GLU   2 -11.176  -0.922  10.516
   17    HB3  GLU   2           HB1      GLU   2 -10.308   0.607  10.596
   18    HG2  GLU   2           HG2      GLU   2 -12.094   0.664   8.929
   19    HG3  GLU   2           HG1      GLU   2 -10.502   0.876   8.193
   20    H    SER   3           HN       SER   3  -8.729  -0.695   7.321
   21    HA   SER   3           HA       SER   3  -7.233   1.738   7.428
   22    HB2  SER   3           HB2      SER   3  -5.775  -0.832   6.739
   23    HB3  SER   3           HB1      SER   3  -5.139   0.789   6.467
   24    HG   SER   3           HG       SER   3  -6.004   0.395   9.032
   25    H    VAL   4           HN       VAL   4  -5.998   1.603   4.943
   26    HA   VAL   4           HA       VAL   4  -8.280   1.707   3.225
   27    HB   VAL   4           HB       VAL   4  -5.578   1.631   2.001
   28   HG11  VAL   4          HG11      VAL   4  -7.551   2.116   0.668
   29   HG12  VAL   4          HG12      VAL   4  -6.484   3.519   0.726
   30   HG13  VAL   4          HG13      VAL   4  -7.943   3.480   1.716
   31   HG21  VAL   4          HG21      VAL   4  -6.457   3.860   3.835
   32   HG22  VAL   4          HG22      VAL   4  -5.129   3.980   2.680
   33   HG23  VAL   4          HG23      VAL   4  -5.034   2.833   4.016
   34    H    ARG   5           HN       ARG   5  -8.683   0.366   1.394
   35    HA   ARG   5           HA       ARG   5  -7.536  -2.330   1.677
   36    HB2  ARG   5           HB2      ARG   5 -10.236  -1.651   0.504
   37    HB3  ARG   5           HB1      ARG   5  -9.619  -3.248   0.901
   38    HG2  ARG   5           HG2      ARG   5 -10.026  -1.134   2.988
   39    HG3  ARG   5           HG1      ARG   5 -11.319  -2.223   2.488
   40    HD2  ARG   5           HD2      ARG   5  -9.926  -4.140   3.114
   41    HD3  ARG   5           HD1      ARG   5  -8.645  -3.041   3.621
   42    HE   ARG   5           HE       ARG   5 -10.482  -2.162   5.224
   43   HH11  ARG   5          HH11      ARG   5 -10.084  -5.507   4.239
   44   HH12  ARG   5          HH12      ARG   5 -10.695  -6.145   5.730
   45   HH21  ARG   5          HH21      ARG   5 -11.357  -2.997   7.144
   46   HH22  ARG   5          HH22      ARG   5 -11.429  -4.718   7.376
   47    H    LEU   6           HN       LEU   6  -5.856  -2.066   0.242
   48    HA   LEU   6           HA       LEU   6  -6.582  -1.502  -2.560
   49    HB2  LEU   6           HB2      LEU   6  -3.904  -1.338  -1.170
   50    HB3  LEU   6           HB1      LEU   6  -4.134  -1.127  -2.891
   51    HG   LEU   6           HG       LEU   6  -4.048   1.053  -2.271
   52   HD11  LEU   6          HD11      LEU   6  -6.245   0.747  -3.273
   53   HD12  LEU   6          HD12      LEU   6  -6.260   2.040  -2.075
   54   HD13  LEU   6          HD13      LEU   6  -6.940   0.463  -1.678
   55   HD21  LEU   6          HD21      LEU   6  -4.806   1.932  -0.108
   56   HD22  LEU   6          HD22      LEU   6  -3.617   0.640   0.064
   57   HD23  LEU   6          HD23      LEU   6  -5.326   0.310   0.350
   58    H    CYS   7           HN       CYS   7  -6.765  -3.276  -3.775
   59    HA   CYS   7           HA       CYS   7  -5.443  -5.723  -2.888
   60    HB2  CYS   7           HB2      CYS   7  -7.686  -5.212  -4.831
   61    HB3  CYS   7           HB1      CYS   7  -6.938  -6.795  -4.626
   62    H    GLY   8           HN       GLY   8  -3.526  -6.156  -3.685
   63    HA2  GLY   8           HA2      GLY   8  -1.737  -6.372  -5.104
   64    HA3  GLY   8           HA1      GLY   8  -2.946  -6.750  -6.314
   65    H    LEU   9           HN       LEU   9  -3.384  -5.312  -7.892
   66    HA   LEU   9           HA       LEU   9  -1.478  -3.513  -8.717
   67    HB2  LEU   9           HB2      LEU   9  -4.433  -3.463  -9.328
   68    HB3  LEU   9           HB1      LEU   9  -3.203  -2.604 -10.233
   69    HG   LEU   9           HG       LEU   9  -3.355  -5.608  -9.975
   70   HD11  LEU   9          HD11      LEU   9  -5.239  -4.741 -11.245
   71   HD12  LEU   9          HD12      LEU   9  -4.098  -5.570 -12.304
   72   HD13  LEU   9          HD13      LEU   9  -4.140  -3.808 -12.261
   73   HD21  LEU   9          HD21      LEU   9  -1.091  -4.856 -10.336
   74   HD22  LEU   9          HD22      LEU   9  -1.614  -3.809 -11.655
   75   HD23  LEU   9          HD23      LEU   9  -1.717  -5.561 -11.827
   76    H    GLU  10           HN       GLU  10  -4.478  -2.813  -6.964
   77    HA   GLU  10           HA       GLU  10  -4.159  -0.029  -6.875
   78    HB2  GLU  10           HB2      GLU  10  -5.613  -1.847  -4.949
   79    HB3  GLU  10           HB1      GLU  10  -5.812  -0.101  -5.048
   80    HG2  GLU  10           HG2      GLU  10  -6.540  -2.152  -7.120
   81    HG3  GLU  10           HG1      GLU  10  -7.623  -1.093  -6.216
   82    H    TYR  11           HN       TYR  11  -3.032  -2.580  -4.733
   83    HA   TYR  11           HA       TYR  11  -2.042  -0.907  -2.675
   84    HB2  TYR  11           HB2      TYR  11  -2.420  -3.381  -2.466
   85    HB3  TYR  11           HB1      TYR  11  -1.027  -3.641  -3.508
   86    HD1  TYR  11           HD2      TYR  11   1.251  -3.064  -2.689
   87    HD2  TYR  11           HD1      TYR  11  -2.161  -2.849  -0.162
   88    HE1  TYR  11           HE2      TYR  11   2.720  -3.028  -0.717
   89    HE2  TYR  11           HE1      TYR  11  -0.701  -2.813   1.813
   90    HH   TYR  11           HH       TYR  11   1.543  -3.443   2.461
   91    H    ILE  12           HN       ILE  12  -0.552  -2.465  -5.453
   92    HA   ILE  12           HA       ILE  12   2.051  -1.531  -5.179
   93    HB   ILE  12           HB       ILE  12   0.479  -2.207  -7.669
   94   HG12  ILE  12          HG12      ILE  12   2.578  -3.907  -6.357
   95   HG13  ILE  12          HG11      ILE  12   0.910  -3.936  -5.789
   96   HG21  ILE  12          HG21      ILE  12   2.396  -0.834  -8.265
   97   HG22  ILE  12          HG22      ILE  12   2.645  -2.503  -8.776
   98   HG23  ILE  12          HG23      ILE  12   3.460  -1.891  -7.337
   99   HD11  ILE  12          HD11      ILE  12   0.171  -4.577  -8.030
  100   HD12  ILE  12          HD12      ILE  12   1.316  -5.736  -7.351
  101   HD13  ILE  12          HD13      ILE  12   1.850  -4.581  -8.573
  102    H    ARG  13           HN       ARG  13  -0.666  -0.125  -7.010
  103    HA   ARG  13           HA       ARG  13   0.715   2.066  -8.076
  104    HB2  ARG  13           HB2      ARG  13  -2.214   1.813  -7.377
  105    HB3  ARG  13           HB1      ARG  13  -1.527   3.102  -8.356
  106    HG2  ARG  13           HG2      ARG  13  -0.673   1.250  -9.889
  107    HG3  ARG  13           HG1      ARG  13  -1.773   0.187  -9.011
  108    HD2  ARG  13           HD2      ARG  13  -2.506   2.669 -10.559
  109    HD3  ARG  13           HD1      ARG  13  -2.840   1.004 -11.022
  110    HE   ARG  13           HE       ARG  13  -4.431   0.869  -9.208
  111   HH11  ARG  13          HH11      ARG  13  -3.219   4.091  -9.916
  112   HH12  ARG  13          HH12      ARG  13  -4.592   4.896  -9.240
  113   HH21  ARG  13          HH21      ARG  13  -6.260   1.933  -8.331
  114   HH22  ARG  13          HH22      ARG  13  -6.316   3.672  -8.335
  115    H    THR  14           HN       THR  14  -1.079   1.758  -5.035
  116    HA   THR  14           HA       THR  14  -0.795   4.471  -4.273
  117    HB   THR  14           HB       THR  14  -1.163   2.106  -2.425
  118    HG1  THR  14           HG1      THR  14  -2.834   1.939  -3.848
  119   HG21  THR  14          HG21      THR  14  -1.988   5.003  -2.170
  120   HG22  THR  14          HG22      THR  14  -0.658   4.233  -1.306
  121   HG23  THR  14          HG23      THR  14  -2.319   3.726  -0.999
  122    H    VAL  15           HN       VAL  15   1.119   1.568  -3.656
  123    HA   VAL  15           HA       VAL  15   2.902   2.723  -1.794
  124    HB   VAL  15           HB       VAL  15   3.156   0.318  -3.596
  125   HG11  VAL  15          HG11      VAL  15   5.143  -0.323  -2.363
  126   HG12  VAL  15          HG12      VAL  15   5.066   1.164  -1.418
  127   HG13  VAL  15          HG13      VAL  15   5.398   1.235  -3.149
  128   HG21  VAL  15          HG21      VAL  15   2.727  -0.948  -1.637
  129   HG22  VAL  15          HG22      VAL  15   1.518   0.335  -1.688
  130   HG23  VAL  15          HG23      VAL  15   2.902   0.468  -0.604
  131    H    ILE  16           HN       ILE  16   3.349   2.036  -5.283
  132    HA   ILE  16           HA       ILE  16   5.885   3.187  -5.486
  133    HB   ILE  16           HB       ILE  16   5.506   3.364  -7.904
  134   HG12  ILE  16          HG12      ILE  16   2.677   2.504  -7.254
  135   HG13  ILE  16          HG11      ILE  16   3.154   4.082  -7.869
  136   HG21  ILE  16          HG21      ILE  16   5.107   0.976  -8.319
  137   HG22  ILE  16          HG22      ILE  16   4.515   0.800  -6.667
  138   HG23  ILE  16          HG23      ILE  16   6.197   1.245  -6.959
  139   HD11  ILE  16          HD11      ILE  16   3.970   2.991  -9.925
  140   HD12  ILE  16          HD12      ILE  16   2.243   2.757  -9.650
  141   HD13  ILE  16          HD13      ILE  16   3.376   1.449  -9.307
  142    H    TYR  17           HN       TYR  17   2.721   4.682  -5.523
  143    HA   TYR  17           HA       TYR  17   3.474   7.185  -6.568
  144    HB2  TYR  17           HB2      TYR  17   1.115   6.364  -6.237
  145    HB3  TYR  17           HB1      TYR  17   1.311   6.674  -4.516
  146    HD1  TYR  17           HD1      TYR  17   1.260   8.293  -7.847
  147    HD2  TYR  17           HD2      TYR  17   1.030   8.853  -3.636
  148    HE1  TYR  17           HE1      TYR  17   0.561  10.624  -8.201
  149    HE2  TYR  17           HE2      TYR  17   0.330  11.185  -3.978
  150    HH   TYR  17           HH       TYR  17   0.579  12.933  -5.794
  151    H    ILE  18           HN       ILE  18   3.249   6.011  -3.221
  152    HA   ILE  18           HA       ILE  18   4.131   8.419  -2.007
  153    HB   ILE  18           HB       ILE  18   4.317   5.600  -0.927
  154   HG12  ILE  18          HG12      ILE  18   2.161   7.673  -0.469
  155   HG13  ILE  18          HG11      ILE  18   2.009   6.301  -1.564
  156   HG21  ILE  18          HG21      ILE  18   4.382   6.669   1.274
  157   HG22  ILE  18          HG22      ILE  18   4.391   8.255   0.502
  158   HG23  ILE  18          HG23      ILE  18   5.751   7.155   0.274
  159   HD11  ILE  18          HD11      ILE  18   0.921   5.914   0.600
  160   HD12  ILE  18          HD12      ILE  18   2.482   6.101   1.402
  161   HD13  ILE  18          HD13      ILE  18   2.220   4.762   0.286
  162    H    CYS  19           HN       CYS  19   5.787   5.373  -2.755
  163    HA   CYS  19           HA       CYS  19   8.307   6.104  -1.766
  164    HB2  CYS  19           HB2      CYS  19   7.761   4.144  -3.995
  165    HB3  CYS  19           HB1      CYS  19   9.139   4.157  -2.897
  166    H    ALA  20           HN       ALA  20   6.729   7.080  -4.662
  167    HA   ALA  20           HA       ALA  20   9.260   7.853  -5.904
  168    HB1  ALA  20           HB1      ALA  20   7.573   6.816  -7.338
  169    HB2  ALA  20           HB2      ALA  20   7.938   8.464  -7.852
  170    HB3  ALA  20           HB3      ALA  20   6.451   8.124  -6.965
  171    H    SER  21           HN       SER  21   6.178   9.397  -4.970
  172    HA   SER  21           HA       SER  21   6.871  12.022  -5.514
  173    HB2  SER  21           HB2      SER  21   5.108  11.095  -3.240
  174    HB3  SER  21           HB1      SER  21   5.062  12.666  -4.041
  175    HG   SER  21           HG       SER  21   4.229  10.151  -4.984
  176    H    SER  22           HN       SER  22   7.611  10.099  -2.655
  177    HA   SER  22           HA       SER  22   8.594  12.300  -1.126
  178    HB2  SER  22           HB2      SER  22   9.228   9.381  -0.688
  179    HB3  SER  22           HB1      SER  22   9.210  10.677   0.509
  180    HG   SER  22           HG       SER  22   7.086   9.286  -0.658
  181    H    ARG  23           HN       ARG  23   9.879  10.805  -3.812
  182    HA   ARG  23           HA       ARG  23  12.623  11.428  -2.938
  183    HB2  ARG  23           HB2      ARG  23  13.477   9.664  -4.137
  184    HB3  ARG  23           HB1      ARG  23  11.922   9.000  -3.666
  185    HG2  ARG  23           HG2      ARG  23  11.011   9.545  -5.859
  186    HG3  ARG  23           HG1      ARG  23  12.562  10.241  -6.334
  187    HD2  ARG  23           HD2      ARG  23  12.235   7.936  -7.171
  188    HD3  ARG  23           HD1      ARG  23  13.643   8.100  -6.122
  189    HE   ARG  23           HE       ARG  23  11.201   7.238  -4.812
  190   HH11  ARG  23          HH11      ARG  23  14.182   6.262  -6.370
  191   HH12  ARG  23          HH12      ARG  23  14.214   4.700  -5.622
  192   HH21  ARG  23          HH21      ARG  23  11.235   5.193  -3.819
  193   HH22  ARG  23          HH22      ARG  23  12.525   4.085  -4.160
  194    H    TRP  24           HN       TRP  24  10.096  12.366  -4.929
  195    HA   TRP  24           HA       TRP  24  11.871  13.667  -6.861
  196    HB2  TRP  24           HB2      TRP  24   8.857  13.384  -6.864
  197    HB3  TRP  24           HB1      TRP  24   9.794  14.192  -8.114
  198    HD1  TRP  24           HD1      TRP  24   7.975  11.249  -7.936
  199    HE1  TRP  24           HE1      TRP  24   8.982   9.297  -9.272
  200    HE3  TRP  24           HE3      TRP  24  12.746  13.004  -8.480
  201    HZ2  TRP  24           HZ2      TRP  24  11.465   8.589 -10.401
  202    HZ3  TRP  24           HZ3      TRP  24  14.376  11.626  -9.699
  203    HH2  TRP  24           HH2      TRP  24  13.748   9.463 -10.640
  204    HN1  NH2  25           H1       NH2  25   9.390  14.351  -4.467
  205    HN2  NH2  25           H2       NH2  25   9.704  16.046  -4.352
  206    H1   PCA   1           HN       PCA   1  -2.684 -11.797   5.332
  207    HA   PCA   1           HA       PCA   1  -1.347 -13.928   5.452
  208    HB2  PCA   1           HB2      PCA   1  -1.614 -14.519   2.644
  209    HB3  PCA   1           HB1      PCA   1  -2.162 -15.491   4.026
  210    HG2  PCA   1           HG2      PCA   1  -3.761 -13.943   2.232
  211    HG3  PCA   1           HG1      PCA   1  -4.292 -14.895   3.638
  212    H    ASP   2           HN       ASP   2  -1.472 -12.438   2.252
  213    HA   ASP   2           HA       ASP   2   1.371 -11.876   2.350
  214    HB2  ASP   2           HB2      ASP   2   0.897 -12.712   0.257
  215    HB3  ASP   2           HB1      ASP   2  -0.702 -11.984   0.213
  216    H    LEU   3           HN       LEU   3   2.178  -9.687   1.755
  217    HA   LEU   3           HA       LEU   3   1.105  -7.726   3.444
  218    HB2  LEU   3           HB2      LEU   3   3.453  -7.793   2.685
  219    HB3  LEU   3           HB1      LEU   3   2.933  -7.328   1.077
  220    HG   LEU   3           HG       LEU   3   2.126  -5.177   1.956
  221   HD11  LEU   3          HD11      LEU   3   3.258  -6.159   4.571
  222   HD12  LEU   3          HD12      LEU   3   1.564  -5.817   4.215
  223   HD13  LEU   3          HD13      LEU   3   2.741  -4.504   4.244
  224   HD21  LEU   3          HD21      LEU   3   4.321  -4.198   2.454
  225   HD22  LEU   3          HD22      LEU   3   4.379  -5.302   1.079
  226   HD23  LEU   3          HD23      LEU   3   4.987  -5.820   2.652
  227    H    GLN   4           HN       GLN   4   0.835  -8.097  -0.079
  228    HA   GLN   4           HA       GLN   4  -0.803  -5.760  -0.391
  229    HB2  GLN   4           HB2      GLN   4  -0.192  -8.088  -2.220
  230    HB3  GLN   4           HB1      GLN   4  -1.245  -6.763  -2.685
  231    HG2  GLN   4           HG2      GLN   4   0.833  -6.262  -3.621
  232    HG3  GLN   4           HG1      GLN   4   0.703  -5.225  -2.205
  233   HE21  GLN   4          HE21      GLN   4   1.432  -8.652  -2.057
  234   HE22  GLN   4          HE22      GLN   4   3.061  -8.465  -1.515
  235    H    THR   5           HN       THR   5  -1.308  -9.220  -0.236
  236    HA   THR   5           HA       THR   5  -4.050  -9.312  -0.751
  237    HB   THR   5           HB       THR   5  -2.398 -11.178   0.969
  238    HG1  THR   5           HG1      THR   5  -1.565 -10.889  -1.170
  239   HG21  THR   5          HG21      THR   5  -5.010 -11.606  -0.504
  240   HG22  THR   5          HG22      THR   5  -4.793 -11.567   1.246
  241   HG23  THR   5          HG23      THR   5  -4.074 -12.868   0.296
  242    H    LEU   6           HN       LEU   6  -2.370  -9.222   2.408
  243    HA   LEU   6           HA       LEU   6  -4.712  -9.318   3.970
  244    HB2  LEU   6           HB2      LEU   6  -2.412  -9.810   4.781
  245    HB3  LEU   6           HB1      LEU   6  -2.072  -8.095   4.739
  246    HG   LEU   6           HG       LEU   6  -4.027  -7.831   6.362
  247   HD11  LEU   6          HD11      LEU   6  -4.606  -9.763   7.691
  248   HD12  LEU   6          HD12      LEU   6  -3.529 -10.779   6.734
  249   HD13  LEU   6          HD13      LEU   6  -4.967 -10.078   5.994
  250   HD21  LEU   6          HD21      LEU   6  -2.613  -8.377   8.287
  251   HD22  LEU   6          HD22      LEU   6  -1.703  -7.554   7.020
  252   HD23  LEU   6          HD23      LEU   6  -1.540  -9.297   7.233
  253    H    CYS   7           HN       CYS   7  -3.381  -6.736   2.142
  254    HA   CYS   7           HA       CYS   7  -4.362  -4.592   3.724
  255    HB2  CYS   7           HB2      CYS   7  -2.678  -4.158   2.021
  256    HB3  CYS   7           HB1      CYS   7  -3.773  -4.706   0.756
  257    H    CYS   8           HN       CYS   8  -5.841  -6.863   1.618
  258    HA   CYS   8           HA       CYS   8  -8.279  -5.263   1.402
  259    HB2  CYS   8           HB2      CYS   8  -7.785  -8.049   0.322
  260    HB3  CYS   8           HB1      CYS   8  -9.055  -6.929  -0.152
  261    H    THR   9           HN       THR   9  -6.972  -8.125   2.949
  262    HA   THR   9           HA       THR   9  -9.421  -9.094   4.033
  263    HB   THR   9           HB       THR   9  -6.980  -9.772   5.505
  264    HG1  THR   9           HG1      THR   9  -6.144 -10.965   3.639
  265   HG21  THR   9          HG21      THR   9  -9.047 -11.080   5.634
  266   HG22  THR   9          HG22      THR   9  -7.712 -12.049   5.008
  267   HG23  THR   9          HG23      THR   9  -8.940 -11.422   3.907
  268    H    ASP  10           HN       ASP  10  -6.614  -7.542   5.575
  269    HA   ASP  10           HA       ASP  10  -8.288  -6.807   7.877
  270    HB2  ASP  10           HB2      ASP  10  -6.229  -8.036   8.396
  271    HB3  ASP  10           HB1      ASP  10  -5.283  -6.848   7.515
  272    H    GLY  11           HN       GLY  11  -5.961  -5.489   5.572
  273    HA2  GLY  11           HA2      GLY  11  -6.639  -3.322   4.550
  274    HA3  GLY  11           HA1      GLY  11  -6.985  -2.788   6.191
  275    H    CYS  12           HN       CYS  12  -5.093  -1.703   4.180
  276    HA   CYS  12           HA       CYS  12  -2.682  -1.923   5.859
  277    HB2  CYS  12           HB2      CYS  12  -1.274  -1.713   3.904
  278    HB3  CYS  12           HB1      CYS  12  -2.369  -3.070   3.681
  279    H    SER  13           HN       SER  13  -1.641  -0.039   6.368
  280    HA   SER  13           HA       SER  13  -3.048   2.416   5.548
  281    HB2  SER  13           HB2      SER  13  -2.261   3.396   7.664
  282    HB3  SER  13           HB1      SER  13  -3.194   1.931   7.961
  283    HG   SER  13           HG       SER  13  -0.947   0.900   7.889
  284    H    MET  14           HN       MET  14  -1.439   4.384   5.902
  285    HA   MET  14           HA       MET  14   0.482   4.245   3.884
  286    HB2  MET  14           HB2      MET  14  -0.646   6.294   5.021
  287    HB3  MET  14           HB1      MET  14   0.698   6.203   6.146
  288    HG2  MET  14           HG2      MET  14   2.278   6.478   4.328
  289    HG3  MET  14           HG1      MET  14   0.955   6.511   3.163
  290    HE1  MET  14           HE1      MET  14   2.317  10.212   3.217
  291    HE2  MET  14           HE2      MET  14   2.015   8.794   2.213
  292    HE3  MET  14           HE3      MET  14   3.272   8.747   3.449
  293    H    THR  15           HN       THR  15   0.647   3.667   7.272
  294    HA   THR  15           HA       THR  15   3.382   3.729   7.747
  295    HB   THR  15           HB       THR  15   1.957   1.586   9.151
  296    HG1  THR  15           HG1      THR  15   0.114   2.654   9.207
  297   HG21  THR  15          HG21      THR  15   2.709   2.846  11.112
  298   HG22  THR  15          HG22      THR  15   3.221   4.173  10.070
  299   HG23  THR  15          HG23      THR  15   4.033   2.611   9.970
  300    H    ASP  16           HN       ASP  16   1.349   0.916   6.884
  301    HA   ASP  16           HA       ASP  16   3.411  -0.978   6.761
  302    HB2  ASP  16           HB2      ASP  16   1.014  -1.132   4.950
  303    HB3  ASP  16           HB1      ASP  16   1.868  -2.437   5.759
  304    H    LEU  17           HN       LEU  17   2.011   1.086   4.261
  305    HA   LEU  17           HA       LEU  17   3.443   0.032   2.080
  306    HB2  LEU  17           HB2      LEU  17   2.763   2.928   2.123
  307    HB3  LEU  17           HB1      LEU  17   2.577   1.759   0.834
  308    HG   LEU  17           HG       LEU  17   0.823   1.894   3.283
  309   HD11  LEU  17          HD11      LEU  17   0.244   2.794   0.479
  310   HD12  LEU  17          HD12      LEU  17   0.635   3.862   1.825
  311   HD13  LEU  17          HD13      LEU  17  -0.837   2.888   1.870
  312   HD21  LEU  17          HD21      LEU  17  -0.638   0.391   2.056
  313   HD22  LEU  17          HD22      LEU  17   0.953  -0.337   2.281
  314   HD23  LEU  17          HD23      LEU  17   0.509   0.345   0.717
  315    H    SER  18           HN       SER  18   4.102   2.900   4.089
  316    HA   SER  18           HA       SER  18   6.538   3.550   2.801
  317    HB2  SER  18           HB2      SER  18   5.812   4.234   5.658
  318    HB3  SER  18           HB1      SER  18   6.863   5.133   4.563
  319    HG   SER  18           HG       SER  18   4.051   4.869   4.506
  320    H    ALA  19           HN       ALA  19   5.683   1.255   5.252
  321    HA   ALA  19           HA       ALA  19   8.250   0.899   6.397
  322    HB1  ALA  19           HB1      ALA  19   6.200   0.154   7.513
  323    HB2  ALA  19           HB2      ALA  19   7.355  -1.166   7.327
  324    HB3  ALA  19           HB3      ALA  19   5.959  -1.058   6.256
  325    H    LEU  20           HN       LEU  20   6.657  -0.403   3.537
  326    HA   LEU  20           HA       LEU  20   8.756  -2.377   3.157
  327    HB2  LEU  20           HB2      LEU  20   7.531  -3.209   1.374
  328    HB3  LEU  20           HB1      LEU  20   6.288  -2.615   2.454
  329    HG   LEU  20           HG       LEU  20   6.654  -0.444   0.852
  330   HD11  LEU  20          HD11      LEU  20   6.954  -2.866  -0.920
  331   HD12  LEU  20          HD12      LEU  20   8.230  -1.699  -0.577
  332   HD13  LEU  20          HD13      LEU  20   6.781  -1.191  -1.443
  333   HD21  LEU  20          HD21      LEU  20   4.562  -1.056  -0.148
  334   HD22  LEU  20          HD22      LEU  20   4.548  -1.573   1.538
  335   HD23  LEU  20          HD23      LEU  20   4.814  -2.754   0.255
  336    H    CYS  21           HN       CYS  21   8.368   0.877   2.624
  337    HA   CYS  21           HA       CYS  21  10.442   0.914   0.539
  338    HB2  CYS  21           HB2      CYS  21   8.022   2.568   0.990
  339    HB3  CYS  21           HB1      CYS  21   9.452   3.416   0.420
  340    HN1  NH2  22           H1       NH2  22  10.909   0.625   3.352
  341    HN2  NH2  22           H2       NH2  22  11.797   2.012   3.872
  Start of MODEL   19
    1    H1   LYS   1           HN       LYS   1  -7.271  -4.616  11.307
    2    HA   LYS   1           HA       LYS   1  -6.162  -2.325  12.804
    3    HB2  LYS   1           HB2      LYS   1  -4.462  -3.996  12.272
    4    HB3  LYS   1           HB1      LYS   1  -4.923  -3.953  10.577
    5    HG2  LYS   1           HG2      LYS   1  -4.262  -1.511  10.596
    6    HG3  LYS   1           HG1      LYS   1  -3.541  -1.821  12.178
    7    HD2  LYS   1           HD2      LYS   1  -1.710  -2.268  10.918
    8    HD3  LYS   1           HD1      LYS   1  -2.468  -3.856  10.806
    9    HE2  LYS   1           HE2      LYS   1  -2.544  -1.625   8.784
   10    HE3  LYS   1           HE1      LYS   1  -1.808  -3.216   8.607
   11    HZ1  LYS   1           HZ1      LYS   1  -3.819  -3.300   7.438
   12    HZ2  LYS   1           HZ2      LYS   1  -4.688  -2.537   8.671
   13    HZ3  LYS   1           HZ3      LYS   1  -4.138  -4.127   8.884
   14    H    GLU   2           HN       GLU   2  -7.728  -0.865  12.199
   15    HA   GLU   2           HA       GLU   2  -8.849  -0.521   9.689
   16    HB2  GLU   2           HB2      GLU   2  -9.600   0.549  11.842
   17    HB3  GLU   2           HB1      GLU   2  -8.296   1.712  11.642
   18    HG2  GLU   2           HG2      GLU   2 -10.451   2.579  10.863
   19    HG3  GLU   2           HG1      GLU   2  -9.252   2.496   9.572
   20    H    SER   3           HN       SER   3  -8.149   0.202   7.837
   21    HA   SER   3           HA       SER   3  -6.239   2.270   7.508
   22    HB2  SER   3           HB2      SER   3  -4.668   0.566   6.206
   23    HB3  SER   3           HB1      SER   3  -4.463   0.850   7.935
   24    HG   SER   3           HG       SER   3  -6.071  -1.003   8.083
   25    H    VAL   4           HN       VAL   4  -5.394   1.818   4.920
   26    HA   VAL   4           HA       VAL   4  -7.938   1.943   3.531
   27    HB   VAL   4           HB       VAL   4  -6.437   2.398   1.492
   28   HG11  VAL   4          HG11      VAL   4  -7.720   4.124   2.612
   29   HG12  VAL   4          HG12      VAL   4  -6.135   4.746   2.150
   30   HG13  VAL   4          HG13      VAL   4  -6.455   4.305   3.828
   31   HG21  VAL   4          HG21      VAL   4  -4.395   2.807   3.676
   32   HG22  VAL   4          HG22      VAL   4  -4.200   3.231   1.975
   33   HG23  VAL   4          HG23      VAL   4  -4.350   1.539   2.451
   34    H    ARG   5           HN       ARG   5  -8.665   0.519   2.000
   35    HA   ARG   5           HA       ARG   5  -7.250  -2.053   1.935
   36    HB2  ARG   5           HB2      ARG   5 -10.164  -1.342   1.675
   37    HB3  ARG   5           HB1      ARG   5  -9.552  -2.897   1.132
   38    HG2  ARG   5           HG2      ARG   5 -10.253  -3.408   3.253
   39    HG3  ARG   5           HG1      ARG   5  -8.555  -3.027   3.544
   40    HD2  ARG   5           HD2      ARG   5  -9.276  -0.689   4.099
   41    HD3  ARG   5           HD1      ARG   5 -10.944  -1.251   4.014
   42    HE   ARG   5           HE       ARG   5  -9.385  -2.853   5.788
   43   HH11  ARG   5          HH11      ARG   5 -11.045   0.216   5.541
   44   HH12  ARG   5          HH12      ARG   5 -11.290   0.382   7.256
   45   HH21  ARG   5          HH21      ARG   5  -9.721  -2.658   8.044
   46   HH22  ARG   5          HH22      ARG   5 -10.570  -1.266   8.676
   47    H    LEU   6           HN       LEU   6  -6.043  -2.246   0.180
   48    HA   LEU   6           HA       LEU   6  -7.165  -1.390  -2.410
   49    HB2  LEU   6           HB2      LEU   6  -4.291  -1.403  -1.482
   50    HB3  LEU   6           HB1      LEU   6  -4.762  -1.196  -3.154
   51    HG   LEU   6           HG       LEU   6  -4.397   0.977  -2.515
   52   HD11  LEU   6          HD11      LEU   6  -7.285   0.636  -1.738
   53   HD12  LEU   6          HD12      LEU   6  -6.687   0.759  -3.391
   54   HD13  LEU   6          HD13      LEU   6  -6.503   2.119  -2.284
   55   HD21  LEU   6          HD21      LEU   6  -4.971   1.917  -0.330
   56   HD22  LEU   6          HD22      LEU   6  -3.896   0.527  -0.191
   57   HD23  LEU   6          HD23      LEU   6  -5.614   0.352   0.167
   58    H    CYS   7           HN       CYS   7  -6.861  -2.818  -4.175
   59    HA   CYS   7           HA       CYS   7  -6.059  -5.527  -3.346
   60    HB2  CYS   7           HB2      CYS   7  -8.200  -4.552  -5.200
   61    HB3  CYS   7           HB1      CYS   7  -7.521  -6.165  -5.408
   62    H    GLY   8           HN       GLY   8  -4.170  -6.113  -4.081
   63    HA2  GLY   8           HA2      GLY   8  -2.276  -6.296  -5.374
   64    HA3  GLY   8           HA1      GLY   8  -3.433  -6.603  -6.653
   65    H    LEU   9           HN       LEU   9  -3.786  -5.088  -8.193
   66    HA   LEU   9           HA       LEU   9  -1.753  -3.382  -8.921
   67    HB2  LEU   9           HB2      LEU   9  -4.676  -3.243  -9.646
   68    HB3  LEU   9           HB1      LEU   9  -3.410  -2.348 -10.463
   69    HG   LEU   9           HG       LEU   9  -3.574  -5.361 -10.342
   70   HD11  LEU   9          HD11      LEU   9  -4.226  -5.218 -12.695
   71   HD12  LEU   9          HD12      LEU   9  -4.271  -3.459 -12.575
   72   HD13  LEU   9          HD13      LEU   9  -5.408  -4.436 -11.645
   73   HD21  LEU   9          HD21      LEU   9  -1.867  -5.231 -12.130
   74   HD22  LEU   9          HD22      LEU   9  -1.298  -4.603 -10.584
   75   HD23  LEU   9          HD23      LEU   9  -1.767  -3.490 -11.869
   76    H    GLU  10           HN       GLU  10  -4.698  -2.618  -7.105
   77    HA   GLU  10           HA       GLU  10  -4.204   0.179  -7.029
   78    HB2  GLU  10           HB2      GLU  10  -6.096  -1.688  -5.710
   79    HB3  GLU  10           HB1      GLU  10  -5.830  -0.134  -4.931
   80    HG2  GLU  10           HG2      GLU  10  -7.669  -0.583  -6.860
   81    HG3  GLU  10           HG1      GLU  10  -6.964   0.993  -6.500
   82    H    TYR  11           HN       TYR  11  -3.323  -2.501  -4.944
   83    HA   TYR  11           HA       TYR  11  -2.357  -0.922  -2.788
   84    HB2  TYR  11           HB2      TYR  11  -2.780  -3.236  -2.332
   85    HB3  TYR  11           HB1      TYR  11  -1.768  -3.755  -3.676
   86    HD1  TYR  11           HD2      TYR  11  -1.654  -2.128  -0.338
   87    HD2  TYR  11           HD1      TYR  11   0.517  -4.201  -3.351
   88    HE1  TYR  11           HE2      TYR  11   0.264  -2.326   1.187
   89    HE2  TYR  11           HE1      TYR  11   2.441  -4.405  -1.834
   90    HH   TYR  11           HH       TYR  11   3.340  -3.197   0.164
   91    H    ILE  12           HN       ILE  12  -0.859  -2.489  -5.561
   92    HA   ILE  12           HA       ILE  12   1.772  -1.608  -5.173
   93    HB   ILE  12           HB       ILE  12   0.305  -2.275  -7.736
   94   HG12  ILE  12          HG12      ILE  12   2.228  -4.010  -6.192
   95   HG13  ILE  12          HG11      ILE  12   0.492  -4.036  -5.899
   96   HG21  ILE  12          HG21      ILE  12   2.519  -2.648  -8.714
   97   HG22  ILE  12          HG22      ILE  12   3.270  -2.062  -7.229
   98   HG23  ILE  12          HG23      ILE  12   2.300  -0.970  -8.218
   99   HD11  ILE  12          HD11      ILE  12   1.151  -5.839  -7.373
  100   HD12  ILE  12          HD12      ILE  12   1.861  -4.683  -8.499
  101   HD13  ILE  12          HD13      ILE  12   0.119  -4.690  -8.224
  102    H    ARG  13           HN       ARG  13  -0.974  -0.195  -6.872
  103    HA   ARG  13           HA       ARG  13   0.238   1.988  -8.095
  104    HB2  ARG  13           HB2      ARG  13  -2.331   1.034  -7.841
  105    HB3  ARG  13           HB1      ARG  13  -2.408   2.546  -6.949
  106    HG2  ARG  13           HG2      ARG  13  -2.917   3.362  -8.984
  107    HG3  ARG  13           HG1      ARG  13  -1.161   3.410  -9.149
  108    HD2  ARG  13           HD2      ARG  13  -2.036   2.399 -11.120
  109    HD3  ARG  13           HD1      ARG  13  -1.279   1.127 -10.163
  110    HE   ARG  13           HE       ARG  13  -3.936   1.113  -9.414
  111   HH11  ARG  13          HH11      ARG  13  -2.171   0.728 -12.420
  112   HH12  ARG  13          HH12      ARG  13  -3.350  -0.321 -13.126
  113   HH21  ARG  13          HH21      ARG  13  -5.487  -0.276 -10.320
  114   HH22  ARG  13          HH22      ARG  13  -5.246  -0.893 -11.930
  115    H    THR  14           HN       THR  14  -1.228   1.750  -4.873
  116    HA   THR  14           HA       THR  14  -0.646   4.424  -4.137
  117    HB   THR  14           HB       THR  14  -1.039   2.175  -2.170
  118    HG1  THR  14           HG1      THR  14  -2.702   1.966  -3.710
  119   HG21  THR  14          HG21      THR  14  -0.514   4.397  -1.268
  120   HG22  THR  14          HG22      THR  14  -2.165   3.920  -0.870
  121   HG23  THR  14          HG23      THR  14  -1.871   5.082  -2.164
  122    H    VAL  15           HN       VAL  15   1.057   1.356  -3.711
  123    HA   VAL  15           HA       VAL  15   3.037   2.265  -1.929
  124    HB   VAL  15           HB       VAL  15   3.054   0.000  -3.924
  125   HG11  VAL  15          HG11      VAL  15   5.361   0.733  -3.609
  126   HG12  VAL  15          HG12      VAL  15   5.085  -0.823  -2.826
  127   HG13  VAL  15          HG13      VAL  15   5.158   0.650  -1.859
  128   HG21  VAL  15          HG21      VAL  15   2.941  -0.003  -0.913
  129   HG22  VAL  15          HG22      VAL  15   2.797  -1.400  -1.979
  130   HG23  VAL  15          HG23      VAL  15   1.541  -0.161  -1.973
  131    H    ILE  16           HN       ILE  16   3.189   1.871  -5.487
  132    HA   ILE  16           HA       ILE  16   5.766   2.965  -5.750
  133    HB   ILE  16           HB       ILE  16   5.258   3.281  -8.135
  134   HG12  ILE  16          HG12      ILE  16   2.461   2.411  -7.368
  135   HG13  ILE  16          HG11      ILE  16   2.922   4.009  -7.943
  136   HG21  ILE  16          HG21      ILE  16   5.984   1.109  -7.349
  137   HG22  ILE  16          HG22      ILE  16   4.816   0.920  -8.657
  138   HG23  ILE  16          HG23      ILE  16   4.318   0.657  -6.986
  139   HD11  ILE  16          HD11      ILE  16   3.047   1.440  -9.504
  140   HD12  ILE  16          HD12      ILE  16   3.589   3.013 -10.089
  141   HD13  ILE  16          HD13      ILE  16   1.886   2.751  -9.715
  142    H    TYR  17           HN       TYR  17   2.636   4.463  -5.463
  143    HA   TYR  17           HA       TYR  17   3.390   7.037  -6.388
  144    HB2  TYR  17           HB2      TYR  17   1.031   6.324  -6.210
  145    HB3  TYR  17           HB1      TYR  17   1.186   6.269  -4.457
  146    HD1  TYR  17           HD1      TYR  17   1.442   8.586  -7.357
  147    HD2  TYR  17           HD2      TYR  17   0.743   8.177  -3.180
  148    HE1  TYR  17           HE1      TYR  17   0.814  10.960  -7.235
  149    HE2  TYR  17           HE2      TYR  17   0.112  10.550  -3.047
  150    HH   TYR  17           HH       TYR  17  -0.551  12.432  -5.756
  151    H    ILE  18           HN       ILE  18   3.026   5.680  -3.111
  152    HA   ILE  18           HA       ILE  18   3.941   7.942  -1.716
  153    HB   ILE  18           HB       ILE  18   4.025   5.019  -0.946
  154   HG12  ILE  18          HG12      ILE  18   2.154   7.257  -0.134
  155   HG13  ILE  18          HG11      ILE  18   1.775   5.978  -1.284
  156   HG21  ILE  18          HG21      ILE  18   4.356   5.790   1.365
  157   HG22  ILE  18          HG22      ILE  18   4.527   7.444   0.778
  158   HG23  ILE  18          HG23      ILE  18   5.712   6.220   0.323
  159   HD11  ILE  18          HD11      ILE  18   0.786   5.530   0.884
  160   HD12  ILE  18          HD12      ILE  18   2.377   5.606   1.643
  161   HD13  ILE  18          HD13      ILE  18   2.008   4.318   0.495
  162    H    CYS  19           HN       CYS  19   5.647   5.079  -2.911
  163    HA   CYS  19           HA       CYS  19   8.185   5.758  -1.888
  164    HB2  CYS  19           HB2      CYS  19   7.443   4.022  -4.248
  165    HB3  CYS  19           HB1      CYS  19   9.044   4.098  -3.523
  166    H    ALA  20           HN       ALA  20   6.422   7.307  -4.262
  167    HA   ALA  20           HA       ALA  20   8.854   8.272  -5.609
  168    HB1  ALA  20           HB1      ALA  20   7.200   7.272  -7.113
  169    HB2  ALA  20           HB2      ALA  20   7.423   8.991  -7.439
  170    HB3  ALA  20           HB3      ALA  20   5.997   8.438  -6.560
  171    H    SER  21           HN       SER  21   5.671   9.448  -4.475
  172    HA   SER  21           HA       SER  21   6.208  12.167  -4.660
  173    HB2  SER  21           HB2      SER  21   4.449  10.818  -2.606
  174    HB3  SER  21           HB1      SER  21   4.333  12.490  -3.158
  175    HG   SER  21           HG       SER  21   3.067  11.737  -4.645
  176    H    SER  22           HN       SER  22   6.985   9.919  -2.043
  177    HA   SER  22           HA       SER  22   7.851  12.005  -0.273
  178    HB2  SER  22           HB2      SER  22   8.349   9.024  -0.125
  179    HB3  SER  22           HB1      SER  22   8.575  10.184   1.186
  180    HG   SER  22           HG       SER  22   6.316  10.634   1.033
  181    H    ARG  23           HN       ARG  23   9.185  10.928  -3.058
  182    HA   ARG  23           HA       ARG  23  11.930  11.309  -2.064
  183    HB2  ARG  23           HB2      ARG  23  12.715   9.747  -3.516
  184    HB3  ARG  23           HB1      ARG  23  11.069   9.146  -3.405
  185    HG2  ARG  23           HG2      ARG  23  10.474  10.142  -5.476
  186    HG3  ARG  23           HG1      ARG  23  11.986  11.049  -5.544
  187    HD2  ARG  23           HD2      ARG  23  12.019   9.107  -7.038
  188    HD3  ARG  23           HD1      ARG  23  13.241   8.983  -5.772
  189    HE   ARG  23           HE       ARG  23  10.830   7.680  -5.004
  190   HH11  ARG  23          HH11      ARG  23  13.665   7.304  -7.025
  191   HH12  ARG  23          HH12      ARG  23  13.628   5.573  -6.980
  192   HH21  ARG  23          HH21      ARG  23  10.770   5.412  -4.935
  193   HH22  ARG  23          HH22      ARG  23  11.969   4.487  -5.782
  194    H    TRP  24           HN       TRP  24   9.436  12.609  -3.992
  195    HA   TRP  24           HA       TRP  24  11.233  14.233  -5.599
  196    HB2  TRP  24           HB2      TRP  24   8.209  14.207  -5.465
  197    HB3  TRP  24           HB1      TRP  24   9.166  15.146  -6.603
  198    HD1  TRP  24           HD1      TRP  24   7.089  12.358  -6.806
  199    HE1  TRP  24           HE1      TRP  24   7.835  10.618  -8.546
  200    HE3  TRP  24           HE3      TRP  24  11.942  13.846  -7.424
  201    HZ2  TRP  24           HZ2      TRP  24  10.166   9.960  -9.987
  202    HZ3  TRP  24           HZ3      TRP  24  13.362  12.606  -9.002
  203    HH2  TRP  24           HH2      TRP  24  12.491  10.703 -10.257
  204    HN1  NH2  25           H1       NH2  25  12.140  15.160  -3.596
  205    HN2  NH2  25           H2       NH2  25  11.368  16.548  -2.914
  206    H1   PCA   1           HN       PCA   1  -3.293 -12.681   3.957
  207    HA   PCA   1           HA       PCA   1  -1.641 -13.034   5.846
  208    HB2  PCA   1           HB2      PCA   1   0.038 -14.794   4.288
  209    HB3  PCA   1           HB1      PCA   1  -0.785 -15.131   5.826
  210    HG2  PCA   1           HG2      PCA   1  -1.493 -16.068   3.219
  211    HG3  PCA   1           HG1      PCA   1  -2.325 -16.373   4.763
  212    H    ASP   2           HN       ASP   2  -1.212 -12.921   2.371
  213    HA   ASP   2           HA       ASP   2   1.259 -11.498   2.440
  214    HB2  ASP   2           HB2      ASP   2   1.120 -12.586   0.435
  215    HB3  ASP   2           HB1      ASP   2  -0.627 -12.411   0.344
  216    H    LEU   3           HN       LEU   3   1.598  -9.298   1.773
  217    HA   LEU   3           HA       LEU   3   0.039  -7.448   3.143
  218    HB2  LEU   3           HB2      LEU   3   2.235  -7.326   1.180
  219    HB3  LEU   3           HB1      LEU   3   1.252  -5.879   1.299
  220    HG   LEU   3           HG       LEU   3   2.494  -7.163   3.723
  221   HD11  LEU   3          HD11      LEU   3   4.282  -6.632   2.146
  222   HD12  LEU   3          HD12      LEU   3   4.306  -5.543   3.533
  223   HD13  LEU   3          HD13      LEU   3   3.658  -4.990   1.988
  224   HD21  LEU   3          HD21      LEU   3   2.177  -4.964   4.699
  225   HD22  LEU   3          HD22      LEU   3   0.645  -5.579   4.081
  226   HD23  LEU   3          HD23      LEU   3   1.535  -4.355   3.174
  227    H    GLN   4           HN       GLN   4   0.056  -8.186  -0.338
  228    HA   GLN   4           HA       GLN   4  -1.971  -6.266  -0.961
  229    HB2  GLN   4           HB2      GLN   4  -1.393  -8.690  -2.640
  230    HB3  GLN   4           HB1      GLN   4  -1.863  -7.077  -3.159
  231    HG2  GLN   4           HG2      GLN   4   0.264  -6.246  -2.970
  232    HG3  GLN   4           HG1      GLN   4   0.745  -7.448  -1.774
  233   HE21  GLN   4          HE21      GLN   4   1.277  -9.542  -2.461
  234   HE22  GLN   4          HE22      GLN   4   1.741  -9.850  -4.101
  235    H    THR   5           HN       THR   5  -1.868  -9.713  -0.374
  236    HA   THR   5           HA       THR   5  -4.508 -10.394  -0.918
  237    HB   THR   5           HB       THR   5  -2.596 -11.596   1.106
  238    HG1  THR   5           HG1      THR   5  -1.870 -11.556  -1.110
  239   HG21  THR   5          HG21      THR   5  -4.920 -12.305   1.511
  240   HG22  THR   5          HG22      THR   5  -3.944 -13.634   0.885
  241   HG23  THR   5          HG23      THR   5  -5.068 -12.788  -0.178
  242    H    LEU   6           HN       LEU   6  -3.054  -9.524   2.238
  243    HA   LEU   6           HA       LEU   6  -5.622  -9.556   3.531
  244    HB2  LEU   6           HB2      LEU   6  -2.835  -9.149   4.359
  245    HB3  LEU   6           HB1      LEU   6  -4.013  -8.253   5.288
  246    HG   LEU   6           HG       LEU   6  -3.911 -11.249   4.932
  247   HD11  LEU   6          HD11      LEU   6  -2.228 -10.324   6.456
  248   HD12  LEU   6          HD12      LEU   6  -3.441 -11.275   7.313
  249   HD13  LEU   6          HD13      LEU   6  -3.506  -9.512   7.361
  250   HD21  LEU   6          HD21      LEU   6  -5.743 -11.187   6.673
  251   HD22  LEU   6          HD22      LEU   6  -6.208 -10.696   5.045
  252   HD23  LEU   6          HD23      LEU   6  -5.929  -9.476   6.288
  253    H    CYS   7           HN       CYS   7  -4.076  -7.327   1.568
  254    HA   CYS   7           HA       CYS   7  -4.847  -4.925   2.877
  255    HB2  CYS   7           HB2      CYS   7  -3.244  -5.469   0.751
  256    HB3  CYS   7           HB1      CYS   7  -4.679  -4.862  -0.069
  257    H    CYS   8           HN       CYS   8  -6.457  -7.192   0.804
  258    HA   CYS   8           HA       CYS   8  -8.725  -5.416   0.382
  259    HB2  CYS   8           HB2      CYS   8  -8.392  -8.312  -0.430
  260    HB3  CYS   8           HB1      CYS   8  -9.632  -7.202  -0.999
  261    H    THR   9           HN       THR   9  -7.651  -7.270   2.841
  262    HA   THR   9           HA       THR   9 -10.356  -8.038   3.722
  263    HB   THR   9           HB       THR   9  -8.299  -9.236   5.324
  264    HG1  THR   9           HG1      THR   9  -8.094  -9.764   2.524
  265   HG21  THR   9          HG21      THR   9 -10.561 -10.118   5.070
  266   HG22  THR   9          HG22      THR   9  -9.361 -11.318   4.588
  267   HG23  THR   9          HG23      THR   9 -10.258 -10.425   3.359
  268    H    ASP  10           HN       ASP  10  -7.254  -7.473   5.345
  269    HA   ASP  10           HA       ASP  10  -8.560  -6.086   7.519
  270    HB2  ASP  10           HB2      ASP  10  -6.724  -7.643   7.998
  271    HB3  ASP  10           HB1      ASP  10  -5.639  -6.687   6.997
  272    H    GLY  11           HN       GLY  11  -5.960  -5.344   5.211
  273    HA2  GLY  11           HA2      GLY  11  -6.304  -3.201   3.950
  274    HA3  GLY  11           HA1      GLY  11  -6.620  -2.481   5.523
  275    H    CYS  12           HN       CYS  12  -4.717  -1.303   4.090
  276    HA   CYS  12           HA       CYS  12  -2.241  -2.160   5.434
  277    HB2  CYS  12           HB2      CYS  12  -2.426  -1.013   2.642
  278    HB3  CYS  12           HB1      CYS  12  -0.957  -1.522   3.468
  279    H    SER  13           HN       SER  13  -1.061  -0.562   6.386
  280    HA   SER  13           HA       SER  13  -2.280   2.109   6.390
  281    HB2  SER  13           HB2      SER  13  -0.080   1.570   8.271
  282    HB3  SER  13           HB1      SER  13  -1.677   2.256   8.570
  283    HG   SER  13           HG       SER  13  -0.941  -0.477   8.349
  284    H    MET  14           HN       MET  14  -0.678   3.943   6.698
  285    HA   MET  14           HA       MET  14   0.888   4.301   4.450
  286    HB2  MET  14           HB2      MET  14   0.085   6.137   5.846
  287    HB3  MET  14           HB1      MET  14   1.149   5.635   7.146
  288    HG2  MET  14           HG2      MET  14   2.210   7.460   6.141
  289    HG3  MET  14           HG1      MET  14   3.068   6.038   5.549
  290    HE1  MET  14           HE1      MET  14   3.291   8.927   4.220
  291    HE2  MET  14           HE2      MET  14   3.213   8.509   2.508
  292    HE3  MET  14           HE3      MET  14   4.154   7.511   3.617
  293    H    THR  15           HN       THR  15   1.893   3.509   7.703
  294    HA   THR  15           HA       THR  15   4.641   3.392   7.388
  295    HB   THR  15           HB       THR  15   4.299   1.491   9.241
  296    HG1  THR  15           HG1      THR  15   2.176   1.164   9.342
  297   HG21  THR  15          HG21      THR  15   3.675   4.422   9.646
  298   HG22  THR  15          HG22      THR  15   5.282   3.694   9.645
  299   HG23  THR  15          HG23      THR  15   4.130   3.286  10.917
  300    H    ASP  16           HN       ASP  16   2.270   0.786   7.074
  301    HA   ASP  16           HA       ASP  16   3.997  -1.312   6.506
  302    HB2  ASP  16           HB2      ASP  16   1.322  -1.195   5.160
  303    HB3  ASP  16           HB1      ASP  16   2.121  -2.558   5.925
  304    H    LEU  17           HN       LEU  17   2.442   1.005   4.334
  305    HA   LEU  17           HA       LEU  17   3.456  -0.180   1.947
  306    HB2  LEU  17           HB2      LEU  17   2.087   2.376   2.644
  307    HB3  LEU  17           HB1      LEU  17   2.932   2.288   1.111
  308    HG   LEU  17           HG       LEU  17   1.549   0.263   0.557
  309   HD11  LEU  17          HD11      LEU  17  -0.507  -0.092   1.815
  310   HD12  LEU  17          HD12      LEU  17  -0.005   1.127   2.988
  311   HD13  LEU  17          HD13      LEU  17   0.915  -0.368   2.820
  312   HD21  LEU  17          HD21      LEU  17   1.007   2.429  -0.367
  313   HD22  LEU  17          HD22      LEU  17   0.101   2.849   1.087
  314   HD23  LEU  17          HD23      LEU  17  -0.472   1.556   0.034
  315    H    SER  18           HN       SER  18   4.549   2.399   4.088
  316    HA   SER  18           HA       SER  18   6.654   3.354   2.449
  317    HB2  SER  18           HB2      SER  18   6.440   3.439   5.471
  318    HB3  SER  18           HB1      SER  18   7.477   4.454   4.468
  319    HG   SER  18           HG       SER  18   4.765   4.451   3.856
  320    H    ALA  19           HN       ALA  19   6.318   0.517   4.363
  321    HA   ALA  19           HA       ALA  19   9.048   0.022   4.930
  322    HB1  ALA  19           HB1      ALA  19   6.786  -1.949   4.604
  323    HB2  ALA  19           HB2      ALA  19   7.242  -1.136   6.101
  324    HB3  ALA  19           HB3      ALA  19   8.350  -2.284   5.348
  325    H    LEU  20           HN       LEU  20   7.142  -0.241   2.084
  326    HA   LEU  20           HA       LEU  20   9.105  -1.936   0.733
  327    HB2  LEU  20           HB2      LEU  20   6.389  -0.889  -0.046
  328    HB3  LEU  20           HB1      LEU  20   7.457  -1.640  -1.213
  329    HG   LEU  20           HG       LEU  20   7.471  -3.648   0.429
  330   HD11  LEU  20          HD11      LEU  20   4.909  -2.306   1.270
  331   HD12  LEU  20          HD12      LEU  20   6.357  -2.444   2.267
  332   HD13  LEU  20          HD13      LEU  20   5.485  -3.895   1.774
  333   HD21  LEU  20          HD21      LEU  20   6.485  -3.707  -1.789
  334   HD22  LEU  20          HD22      LEU  20   5.024  -2.930  -1.179
  335   HD23  LEU  20          HD23      LEU  20   5.454  -4.551  -0.633
  336    H    CYS  21           HN       CYS  21   8.702   1.223   1.455
  337    HA   CYS  21           HA       CYS  21   9.630   2.303  -1.085
  338    HB2  CYS  21           HB2      CYS  21   8.716   3.544   1.505
  339    HB3  CYS  21           HB1      CYS  21   9.473   4.500   0.241
  340    HN1  NH2  22           H1       NH2  22  11.547   0.747  -0.433
  341    HN2  NH2  22           H2       NH2  22  12.885   1.546   0.316
  Start of MODEL   20
    1    H1   LYS   1           HN       LYS   1  -7.650  -5.005  11.259
    2    HA   LYS   1           HA       LYS   1  -6.903  -2.672  12.907
    3    HB2  LYS   1           HB2      LYS   1  -4.980  -4.146  12.642
    4    HB3  LYS   1           HB1      LYS   1  -5.213  -4.180  10.901
    5    HG2  LYS   1           HG2      LYS   1  -4.852  -1.646  10.992
    6    HG3  LYS   1           HG1      LYS   1  -4.224  -1.932  12.618
    7    HD2  LYS   1           HD2      LYS   1  -2.271  -2.150  11.477
    8    HD3  LYS   1           HD1      LYS   1  -2.848  -3.808  11.303
    9    HE2  LYS   1           HE2      LYS   1  -2.987  -1.570   9.294
   10    HE3  LYS   1           HE1      LYS   1  -2.124  -3.099   9.155
   11    HZ1  LYS   1           HZ1      LYS   1  -4.052  -3.306   7.853
   12    HZ2  LYS   1           HZ2      LYS   1  -5.052  -2.648   9.049
   13    HZ3  LYS   1           HZ3      LYS   1  -4.385  -4.192   9.259
   14    H    GLU   2           HN       GLU   2  -8.500  -1.367  12.075
   15    HA   GLU   2           HA       GLU   2  -9.339  -1.134   9.459
   16    HB2  GLU   2           HB2      GLU   2 -10.414  -0.072  11.453
   17    HB3  GLU   2           HB1      GLU   2  -9.154   1.156  11.417
   18    HG2  GLU   2           HG2      GLU   2 -11.162   1.972  10.343
   19    HG3  GLU   2           HG1      GLU   2  -9.854   1.811   9.169
   20    H    SER   3           HN       SER   3  -8.387  -0.558   7.687
   21    HA   SER   3           HA       SER   3  -6.592   1.680   7.524
   22    HB2  SER   3           HB2      SER   3  -5.570  -1.081   6.799
   23    HB3  SER   3           HB1      SER   3  -4.693   0.438   6.628
   24    HG   SER   3           HG       SER   3  -5.507   0.247   9.150
   25    H    VAL   4           HN       VAL   4  -5.605   1.398   5.004
   26    HA   VAL   4           HA       VAL   4  -8.052   1.377   3.448
   27    HB   VAL   4           HB       VAL   4  -6.496   2.028   1.531
   28   HG11  VAL   4          HG11      VAL   4  -6.319   4.350   2.317
   29   HG12  VAL   4          HG12      VAL   4  -6.678   3.809   3.957
   30   HG13  VAL   4          HG13      VAL   4  -7.890   3.638   2.686
   31   HG21  VAL   4          HG21      VAL   4  -4.405   1.211   2.516
   32   HG22  VAL   4          HG22      VAL   4  -4.547   2.408   3.804
   33   HG23  VAL   4          HG23      VAL   4  -4.315   2.931   2.136
   34    H    ARG   5           HN       ARG   5  -8.629  -0.113   1.950
   35    HA   ARG   5           HA       ARG   5  -6.999  -2.546   1.889
   36    HB2  ARG   5           HB2      ARG   5  -9.937  -2.070   1.436
   37    HB3  ARG   5           HB1      ARG   5  -9.157  -3.567   0.945
   38    HG2  ARG   5           HG2      ARG   5  -9.886  -4.190   3.002
   39    HG3  ARG   5           HG1      ARG   5  -8.316  -3.525   3.456
   40    HD2  ARG   5           HD2      ARG   5  -9.482  -1.335   3.865
   41    HD3  ARG   5           HD1      ARG   5 -11.008  -2.189   3.650
   42    HE   ARG   5           HE       ARG   5  -9.432  -3.513   5.585
   43   HH11  ARG   5          HH11      ARG   5 -11.323  -0.604   5.148
   44   HH12  ARG   5          HH12      ARG   5 -11.680  -0.411   6.840
   45   HH21  ARG   5          HH21      ARG   5  -9.913  -3.283   7.815
   46   HH22  ARG   5          HH22      ARG   5 -10.910  -1.951   8.351
   47    H    LEU   6           HN       LEU   6  -5.708  -2.680   0.228
   48    HA   LEU   6           HA       LEU   6  -6.710  -1.927  -2.439
   49    HB2  LEU   6           HB2      LEU   6  -3.945  -1.558  -1.285
   50    HB3  LEU   6           HB1      LEU   6  -4.279  -1.478  -3.000
   51    HG   LEU   6           HG       LEU   6  -4.222   0.748  -2.415
   52   HD11  LEU   6          HD11      LEU   6  -6.332   0.229  -3.556
   53   HD12  LEU   6          HD12      LEU   6  -6.462   1.629  -2.495
   54   HD13  LEU   6          HD13      LEU   6  -7.125   0.076  -1.989
   55   HD21  LEU   6          HD21      LEU   6  -5.176   1.687  -0.368
   56   HD22  LEU   6          HD22      LEU   6  -3.974   0.442  -0.027
   57   HD23  LEU   6          HD23      LEU   6  -5.692   0.075   0.125
   58    H    CYS   7           HN       CYS   7  -6.628  -3.553  -3.899
   59    HA   CYS   7           HA       CYS   7  -5.209  -5.991  -3.075
   60    HB2  CYS   7           HB2      CYS   7  -7.384  -5.917  -5.144
   61    HB3  CYS   7           HB1      CYS   7  -6.856  -7.266  -4.142
   62    H    GLY   8           HN       GLY   8  -3.427  -6.477  -4.106
   63    HA2  GLY   8           HA2      GLY   8  -1.797  -6.640  -5.705
   64    HA3  GLY   8           HA1      GLY   8  -3.127  -6.871  -6.822
   65    H    LEU   9           HN       LEU   9  -3.445  -5.406  -8.347
   66    HA   LEU   9           HA       LEU   9  -1.546  -3.488  -8.967
   67    HB2  LEU   9           HB2      LEU   9  -3.296  -4.559 -10.471
   68    HB3  LEU   9           HB1      LEU   9  -4.417  -3.359  -9.859
   69    HG   LEU   9           HG       LEU   9  -2.962  -1.568 -10.745
   70   HD11  LEU   9          HD11      LEU   9  -1.359  -3.877 -11.831
   71   HD12  LEU   9          HD12      LEU   9  -0.817  -2.645 -10.691
   72   HD13  LEU   9          HD13      LEU   9  -1.187  -2.203 -12.357
   73   HD21  LEU   9          HD21      LEU   9  -3.790  -3.647 -12.767
   74   HD22  LEU   9          HD22      LEU   9  -3.468  -1.947 -13.109
   75   HD23  LEU   9          HD23      LEU   9  -4.824  -2.397 -12.076
   76    H    GLU  10           HN       GLU  10  -4.601  -3.134  -7.234
   77    HA   GLU  10           HA       GLU  10  -4.596  -0.321  -7.091
   78    HB2  GLU  10           HB2      GLU  10  -5.749  -2.210  -5.031
   79    HB3  GLU  10           HB1      GLU  10  -6.245  -0.554  -5.351
   80    HG2  GLU  10           HG2      GLU  10  -6.702  -2.994  -7.030
   81    HG3  GLU  10           HG1      GLU  10  -7.893  -1.903  -6.323
   82    H    TYR  11           HN       TYR  11  -3.195  -2.820  -5.052
   83    HA   TYR  11           HA       TYR  11  -2.303  -1.070  -2.992
   84    HB2  TYR  11           HB2      TYR  11  -2.609  -3.473  -2.591
   85    HB3  TYR  11           HB1      TYR  11  -1.337  -3.838  -3.753
   86    HD1  TYR  11           HD2      TYR  11  -1.736  -1.610  -0.775
   87    HD2  TYR  11           HD1      TYR  11   0.663  -4.472  -2.808
   88    HE1  TYR  11           HE2      TYR  11  -0.067  -1.478   1.020
   89    HE2  TYR  11           HE1      TYR  11   2.342  -4.346  -1.014
   90    HH   TYR  11           HH       TYR  11   1.729  -2.887   1.969
   91    H    ILE  12           HN       ILE  12  -0.646  -2.722  -5.647
   92    HA   ILE  12           HA       ILE  12   1.899  -1.701  -5.357
   93    HB   ILE  12           HB       ILE  12   0.413  -2.304  -7.921
   94   HG12  ILE  12          HG12      ILE  12   2.398  -4.058  -6.485
   95   HG13  ILE  12          HG11      ILE  12   0.669  -4.131  -6.155
   96   HG21  ILE  12          HG21      ILE  12   2.370  -0.938  -8.380
   97   HG22  ILE  12          HG22      ILE  12   2.627  -2.592  -8.936
   98   HG23  ILE  12          HG23      ILE  12   3.378  -2.038  -7.439
   99   HD11  ILE  12          HD11      ILE  12   0.266  -4.659  -8.519
  100   HD12  ILE  12          HD12      ILE  12   1.290  -5.853  -7.719
  101   HD13  ILE  12          HD13      ILE  12   2.007  -4.654  -8.797
  102    H    ARG  13           HN       ARG  13  -0.838  -0.301  -7.118
  103    HA   ARG  13           HA       ARG  13   0.471   1.943  -8.173
  104    HB2  ARG  13           HB2      ARG  13  -1.883   0.946  -8.650
  105    HB3  ARG  13           HB1      ARG  13  -2.410   1.997  -7.345
  106    HG2  ARG  13           HG2      ARG  13  -1.579   3.939  -8.559
  107    HG3  ARG  13           HG1      ARG  13  -1.024   2.888  -9.865
  108    HD2  ARG  13           HD2      ARG  13  -3.855   3.405  -8.981
  109    HD3  ARG  13           HD1      ARG  13  -3.120   3.791 -10.537
  110    HE   ARG  13           HE       ARG  13  -3.002   1.370 -10.943
  111   HH11  ARG  13          HH11      ARG  13  -5.222   2.513  -8.483
  112   HH12  ARG  13          HH12      ARG  13  -6.249   1.108  -8.572
  113   HH21  ARG  13          HH21      ARG  13  -4.378  -0.460 -11.072
  114   HH22  ARG  13          HH22      ARG  13  -5.757  -0.583 -10.016
  115    H    THR  14           HN       THR  14  -1.260   1.494  -5.115
  116    HA   THR  14           HA       THR  14  -1.034   4.201  -4.292
  117    HB   THR  14           HB       THR  14  -1.383   1.801  -2.487
  118    HG1  THR  14           HG1      THR  14  -3.018   1.637  -3.983
  119   HG21  THR  14          HG21      THR  14  -0.943   3.930  -1.343
  120   HG22  THR  14          HG22      THR  14  -2.597   3.384  -1.066
  121   HG23  THR  14          HG23      THR  14  -2.278   4.677  -2.222
  122    H    VAL  15           HN       VAL  15   0.945   1.318  -3.810
  123    HA   VAL  15           HA       VAL  15   2.698   2.372  -1.874
  124    HB   VAL  15           HB       VAL  15   3.189   0.235  -3.958
  125   HG11  VAL  15          HG11      VAL  15   5.130  -0.427  -2.704
  126   HG12  VAL  15          HG12      VAL  15   4.825   0.816  -1.492
  127   HG13  VAL  15          HG13      VAL  15   5.290   1.276  -3.130
  128   HG21  VAL  15          HG21      VAL  15   1.418  -0.292  -2.356
  129   HG22  VAL  15          HG22      VAL  15   2.527   0.033  -1.024
  130   HG23  VAL  15          HG23      VAL  15   2.831  -1.319  -2.114
  131    H    ILE  16           HN       ILE  16   3.198   2.000  -5.394
  132    HA   ILE  16           HA       ILE  16   5.627   3.367  -5.504
  133    HB   ILE  16           HB       ILE  16   5.203   3.685  -7.915
  134   HG12  ILE  16          HG12      ILE  16   2.486   2.520  -7.262
  135   HG13  ILE  16          HG11      ILE  16   2.808   4.143  -7.864
  136   HG21  ILE  16          HG21      ILE  16   4.521   0.954  -6.836
  137   HG22  ILE  16          HG22      ILE  16   6.139   1.600  -7.114
  138   HG23  ILE  16          HG23      ILE  16   5.064   1.297  -8.479
  139   HD11  ILE  16          HD11      ILE  16   1.990   2.779  -9.653
  140   HD12  ILE  16          HD12      ILE  16   3.218   1.553  -9.338
  141   HD13  ILE  16          HD13      ILE  16   3.692   3.140  -9.946
  142    H    TYR  17           HN       TYR  17   2.353   4.596  -5.450
  143    HA   TYR  17           HA       TYR  17   2.893   7.216  -6.330
  144    HB2  TYR  17           HB2      TYR  17   0.612   6.180  -6.081
  145    HB3  TYR  17           HB1      TYR  17   0.771   6.385  -4.341
  146    HD1  TYR  17           HD2      TYR  17   0.630   8.235  -7.551
  147    HD2  TYR  17           HD1      TYR  17   0.266   8.453  -3.318
  148    HE1  TYR  17           HE2      TYR  17  -0.264  10.516  -7.751
  149    HE2  TYR  17           HE1      TYR  17  -0.630  10.735  -3.507
  150    HH   TYR  17           HH       TYR  17  -0.526  12.622  -5.154
  151    H    ILE  18           HN       ILE  18   2.783   5.794  -3.077
  152    HA   ILE  18           HA       ILE  18   3.404   8.166  -1.669
  153    HB   ILE  18           HB       ILE  18   3.935   5.298  -0.863
  154   HG12  ILE  18          HG12      ILE  18   1.611   7.105  -0.160
  155   HG13  ILE  18          HG11      ILE  18   1.551   5.811  -1.353
  156   HG21  ILE  18          HG21      ILE  18   5.266   6.856   0.445
  157   HG22  ILE  18          HG22      ILE  18   3.982   6.159   1.433
  158   HG23  ILE  18          HG23      ILE  18   3.824   7.803   0.815
  159   HD11  ILE  18          HD11      ILE  18   0.587   5.202   0.841
  160   HD12  ILE  18          HD12      ILE  18   2.186   5.404   1.559
  161   HD13  ILE  18          HD13      ILE  18   1.917   4.157   0.341
  162    H    CYS  19           HN       CYS  19   5.426   5.443  -2.720
  163    HA   CYS  19           HA       CYS  19   7.857   6.389  -1.719
  164    HB2  CYS  19           HB2      CYS  19   7.572   4.720  -4.213
  165    HB3  CYS  19           HB1      CYS  19   8.895   4.716  -3.049
  166    H    ALA  20           HN       ALA  20   6.306   6.957  -4.869
  167    HA   ALA  20           HA       ALA  20   8.506   8.357  -5.988
  168    HB1  ALA  20           HB1      ALA  20   6.950   9.115  -7.697
  169    HB2  ALA  20           HB2      ALA  20   5.589   8.558  -6.722
  170    HB3  ALA  20           HB3      ALA  20   6.739   7.392  -7.378
  171    H    SER  21           HN       SER  21   5.550   9.453  -4.342
  172    HA   SER  21           HA       SER  21   5.989  12.202  -4.624
  173    HB2  SER  21           HB2      SER  21   4.610  10.789  -2.335
  174    HB3  SER  21           HB1      SER  21   4.411  12.481  -2.789
  175    HG   SER  21           HG       SER  21   3.581  10.161  -4.180
  176    H    SER  22           HN       SER  22   7.157   9.918  -2.203
  177    HA   SER  22           HA       SER  22   8.349  11.911  -0.536
  178    HB2  SER  22           HB2      SER  22   9.036   8.967  -0.654
  179    HB3  SER  22           HB1      SER  22   9.265  10.068   0.706
  180    HG   SER  22           HG       SER  22   6.863   8.997  -0.329
  181    H    ARG  23           HN       ARG  23   9.165  10.552  -3.497
  182    HA   ARG  23           HA       ARG  23  12.035  10.932  -3.201
  183    HB2  ARG  23           HB2      ARG  23  11.737   9.049  -4.481
  184    HB3  ARG  23           HB1      ARG  23  10.232   9.628  -5.176
  185    HG2  ARG  23           HG2      ARG  23  11.612   9.651  -7.002
  186    HG3  ARG  23           HG1      ARG  23  11.781  11.309  -6.429
  187    HD2  ARG  23           HD2      ARG  23  13.673   9.127  -5.589
  188    HD3  ARG  23           HD1      ARG  23  13.924  10.076  -7.055
  189    HE   ARG  23           HE       ARG  23  13.555  11.944  -5.095
  190   HH11  ARG  23          HH11      ARG  23  15.761   9.260  -5.547
  191   HH12  ARG  23          HH12      ARG  23  17.039   9.987  -4.631
  192   HH21  ARG  23          HH21      ARG  23  15.223  12.906  -3.890
  193   HH22  ARG  23          HH22      ARG  23  16.731  12.076  -3.681
  194    H    TRP  24           HN       TRP  24   9.248  12.339  -4.828
  195    HA   TRP  24           HA       TRP  24  10.854  14.281  -6.238
  196    HB2  TRP  24           HB2      TRP  24   7.849  14.147  -5.917
  197    HB3  TRP  24           HB1      TRP  24   8.726  15.156  -7.061
  198    HD1  TRP  24           HD1      TRP  24   6.708  12.278  -7.216
  199    HE1  TRP  24           HE1      TRP  24   7.356  10.670  -9.113
  200    HE3  TRP  24           HE3      TRP  24  11.404  14.034  -8.202
  201    HZ2  TRP  24           HZ2      TRP  24   9.565  10.202 -10.802
  202    HZ3  TRP  24           HZ3      TRP  24  12.722  12.950  -9.972
  203    HH2  TRP  24           HH2      TRP  24  11.820  11.072 -11.245
  204    HN1  NH2  25           H1       NH2  25   8.603  14.302  -3.514
  205    HN2  NH2  25           H2       NH2  25   9.083  15.845  -2.903
  206    H1   PCA   1           HN       PCA   1  -2.790 -12.207   5.563
  207    HA   PCA   1           HA       PCA   1  -1.390 -14.281   5.831
  208    HB2  PCA   1           HB2      PCA   1  -1.356 -14.900   3.016
  209    HB3  PCA   1           HB1      PCA   1  -2.002 -15.883   4.346
  210    HG2  PCA   1           HG2      PCA   1  -3.473 -14.409   2.388
  211    HG3  PCA   1           HG1      PCA   1  -4.104 -15.368   3.747
  212    H    ASP   2           HN       ASP   2  -1.120 -13.040   2.544
  213    HA   ASP   2           HA       ASP   2   1.616 -12.231   3.011
  214    HB2  ASP   2           HB2      ASP   2   1.527 -13.162   0.909
  215    HB3  ASP   2           HB1      ASP   2  -0.121 -12.618   0.626
  216    H    LEU   3           HN       LEU   3   2.350 -10.013   2.410
  217    HA   LEU   3           HA       LEU   3   0.905  -8.064   3.810
  218    HB2  LEU   3           HB2      LEU   3   3.293  -7.869   3.466
  219    HB3  LEU   3           HB1      LEU   3   3.067  -7.747   1.732
  220    HG   LEU   3           HG       LEU   3   1.893  -5.589   2.058
  221   HD11  LEU   3          HD11      LEU   3   2.067  -4.466   4.238
  222   HD12  LEU   3          HD12      LEU   3   2.691  -5.960   4.941
  223   HD13  LEU   3          HD13      LEU   3   1.048  -5.905   4.302
  224   HD21  LEU   3          HD21      LEU   3   4.272  -5.634   1.553
  225   HD22  LEU   3          HD22      LEU   3   4.646  -5.740   3.273
  226   HD23  LEU   3          HD23      LEU   3   3.880  -4.289   2.625
  227    H    GLN   4           HN       GLN   4   1.338  -8.405   0.281
  228    HA   GLN   4           HA       GLN   4  -0.438  -6.304  -0.394
  229    HB2  GLN   4           HB2      GLN   4   0.206  -8.701  -2.116
  230    HB3  GLN   4           HB1      GLN   4  -0.284  -7.098  -2.650
  231    HG2  GLN   4           HG2      GLN   4   1.793  -6.275  -2.516
  232    HG3  GLN   4           HG1      GLN   4   2.160  -7.155  -1.034
  233   HE21  GLN   4          HE21      GLN   4   1.667  -9.763  -1.918
  234   HE22  GLN   4          HE22      GLN   4   2.874 -10.169  -3.089
  235    H    THR   5           HN       THR   5  -0.819  -9.746   0.068
  236    HA   THR   5           HA       THR   5  -3.464 -10.004  -0.852
  237    HB   THR   5           HB       THR   5  -1.981 -11.668   1.203
  238    HG1  THR   5           HG1      THR   5  -0.936 -11.522  -0.863
  239   HG21  THR   5          HG21      THR   5  -4.428 -12.273  -0.477
  240   HG22  THR   5          HG22      THR   5  -4.362 -12.139   1.280
  241   HG23  THR   5          HG23      THR   5  -3.535 -13.467   0.466
  242    H    LEU   6           HN       LEU   6  -2.214  -9.657   2.485
  243    HA   LEU   6           HA       LEU   6  -4.794  -9.555   3.667
  244    HB2  LEU   6           HB2      LEU   6  -2.704 -10.170   4.869
  245    HB3  LEU   6           HB1      LEU   6  -2.205  -8.494   4.789
  246    HG   LEU   6           HG       LEU   6  -4.509  -8.084   5.994
  247   HD11  LEU   6          HD11      LEU   6  -3.861 -10.920   6.780
  248   HD12  LEU   6          HD12      LEU   6  -5.267 -10.394   5.853
  249   HD13  LEU   6          HD13      LEU   6  -5.078  -9.888   7.532
  250   HD21  LEU   6          HD21      LEU   6  -2.335  -7.503   6.913
  251   HD22  LEU   6          HD22      LEU   6  -2.069  -9.181   7.388
  252   HD23  LEU   6          HD23      LEU   6  -3.352  -8.241   8.151
  253    H    CYS   7           HN       CYS   7  -2.836  -7.213   2.073
  254    HA   CYS   7           HA       CYS   7  -3.952  -4.891   3.248
  255    HB2  CYS   7           HB2      CYS   7  -2.420  -5.460   0.747
  256    HB3  CYS   7           HB1      CYS   7  -3.245  -3.911   0.894
  257    H    CYS   8           HN       CYS   8  -5.183  -7.208   1.101
  258    HA   CYS   8           HA       CYS   8  -7.217  -5.442  -0.005
  259    HB2  CYS   8           HB2      CYS   8  -6.135  -7.152  -1.440
  260    HB3  CYS   8           HB1      CYS   8  -6.773  -8.414  -0.395
  261    H    THR   9           HN       THR   9  -6.762  -7.764   2.519
  262    HA   THR   9           HA       THR   9  -9.634  -8.011   2.991
  263    HB   THR   9           HB       THR   9  -8.779  -9.580   4.869
  264    HG1  THR   9           HG1      THR   9  -6.629 -10.462   4.032
  265   HG21  THR   9          HG21      THR   9  -8.511 -11.435   3.286
  266   HG22  THR   9          HG22      THR   9  -8.313 -10.279   1.969
  267   HG23  THR   9          HG23      THR   9  -9.852 -10.384   2.826
  268    H    ASP  10           HN       ASP  10  -6.906  -7.735   5.252
  269    HA   ASP  10           HA       ASP  10  -8.476  -6.218   7.122
  270    HB2  ASP  10           HB2      ASP  10  -6.729  -7.810   7.861
  271    HB3  ASP  10           HB1      ASP  10  -5.506  -6.806   7.096
  272    H    GLY  11           HN       GLY  11  -5.761  -5.556   4.964
  273    HA2  GLY  11           HA2      GLY  11  -5.635  -3.481   3.755
  274    HA3  GLY  11           HA1      GLY  11  -6.450  -2.695   5.101
  275    H    CYS  12           HN       CYS  12  -4.302  -1.422   4.294
  276    HA   CYS  12           HA       CYS  12  -2.396  -1.918   6.458
  277    HB2  CYS  12           HB2      CYS  12  -0.651  -1.184   4.549
  278    HB3  CYS  12           HB1      CYS  12  -1.027  -2.867   4.903
  279    H    SER  13           HN       SER  13  -1.045  -0.030   6.927
  280    HA   SER  13           HA       SER  13  -2.497   2.442   6.307
  281    HB2  SER  13           HB2      SER  13  -0.483   2.827   8.304
  282    HB3  SER  13           HB1      SER  13  -2.236   2.897   8.490
  283    HG   SER  13           HG       SER  13  -0.591   0.573   8.650
  284    H    MET  14           HN       MET  14  -0.929   4.433   6.361
  285    HA   MET  14           HA       MET  14   0.663   4.364   4.085
  286    HB2  MET  14           HB2      MET  14  -0.310   6.374   5.384
  287    HB3  MET  14           HB1      MET  14   1.167   6.295   6.326
  288    HG2  MET  14           HG2      MET  14   2.496   6.625   4.324
  289    HG3  MET  14           HG1      MET  14   1.034   6.649   3.340
  290    HE1  MET  14           HE1      MET  14   1.943   8.965   2.307
  291    HE2  MET  14           HE2      MET  14   3.340   8.928   3.383
  292    HE3  MET  14           HE3      MET  14   2.337  10.376   3.290
  293    H    THR  15           HN       THR  15   1.448   3.862   7.417
  294    HA   THR  15           HA       THR  15   4.237   3.953   7.325
  295    HB   THR  15           HB       THR  15   3.673   2.046   9.236
  296    HG1  THR  15           HG1      THR  15   1.566   2.073   9.470
  297   HG21  THR  15          HG21      THR  15   3.732   3.921  10.825
  298   HG22  THR  15          HG22      THR  15   3.492   5.053   9.495
  299   HG23  THR  15          HG23      THR  15   4.969   4.095   9.580
  300    H    ASP  16           HN       ASP  16   2.032   1.181   7.010
  301    HA   ASP  16           HA       ASP  16   3.919  -0.844   6.711
  302    HB2  ASP  16           HB2      ASP  16   1.265  -0.793   5.274
  303    HB3  ASP  16           HB1      ASP  16   2.152  -2.197   5.851
  304    H    LEU  17           HN       LEU  17   2.282   1.079   4.223
  305    HA   LEU  17           HA       LEU  17   3.523  -0.150   2.005
  306    HB2  LEU  17           HB2      LEU  17   2.163   2.505   2.415
  307    HB3  LEU  17           HB1      LEU  17   2.918   2.115   0.883
  308    HG   LEU  17           HG       LEU  17   1.425   0.053   0.825
  309   HD11  LEU  17          HD11      LEU  17   0.750  -0.059   3.129
  310   HD12  LEU  17          HD12      LEU  17  -0.672   0.242   2.129
  311   HD13  LEU  17          HD13      LEU  17   0.057   1.560   3.045
  312   HD21  LEU  17          HD21      LEU  17  -0.494   1.311  -0.007
  313   HD22  LEU  17          HD22      LEU  17   1.028   2.003  -0.567
  314   HD23  LEU  17          HD23      LEU  17   0.139   2.774   0.747
  315    H    SER  18           HN       SER  18   4.404   2.728   3.901
  316    HA   SER  18           HA       SER  18   6.636   3.431   2.272
  317    HB2  SER  18           HB2      SER  18   6.184   4.103   5.196
  318    HB3  SER  18           HB1      SER  18   7.230   4.959   4.061
  319    HG   SER  18           HG       SER  18   4.400   4.809   4.072
  320    H    ALA  19           HN       ALA  19   6.149   1.153   4.864
  321    HA   ALA  19           HA       ALA  19   8.891   0.771   5.529
  322    HB1  ALA  19           HB1      ALA  19   8.135  -1.287   6.625
  323    HB2  ALA  19           HB2      ALA  19   6.557  -1.121   5.854
  324    HB3  ALA  19           HB3      ALA  19   7.090   0.073   7.037
  325    H    LEU  20           HN       LEU  20   6.764  -0.360   3.060
  326    HA   LEU  20           HA       LEU  20   8.355  -2.543   2.128
  327    HB2  LEU  20           HB2      LEU  20   5.849  -2.059   1.730
  328    HB3  LEU  20           HB1      LEU  20   6.392  -0.943   0.492
  329    HG   LEU  20           HG       LEU  20   7.583  -2.887  -0.589
  330   HD11  LEU  20          HD11      LEU  20   5.999  -4.363   1.492
  331   HD12  LEU  20          HD12      LEU  20   7.741  -4.420   1.214
  332   HD13  LEU  20          HD13      LEU  20   6.635  -5.127   0.034
  333   HD21  LEU  20          HD21      LEU  20   5.466  -2.017  -1.433
  334   HD22  LEU  20          HD22      LEU  20   4.585  -3.056  -0.313
  335   HD23  LEU  20          HD23      LEU  20   5.546  -3.769  -1.609
  336    H    CYS  21           HN       CYS  21   8.347   0.841   1.816
  337    HA   CYS  21           HA       CYS  21  10.335   0.785  -0.342
  338    HB2  CYS  21           HB2      CYS  21   8.128   2.622   0.372
  339    HB3  CYS  21           HB1      CYS  21   9.598   3.387  -0.201
  340    HN1  NH2  22           H1       NH2  22  10.996   0.203   2.353
  341    HN2  NH2  22           H2       NH2  22  12.038   1.454   2.929