*HEADER    UNKNOWN FUNCTION                        09-JUL-18   6H0I              
*TITLE     SOLUTION STRUCTURE OF MELAMPSORA LARICI-POPULINA MLPP4.1              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SECRETED PROTEIN;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MELAMPSORA LARICI-POPULINA 98AG31;              
*SOURCE   3 ORGANISM_TAXID: 747676;                                              
*SOURCE   4 GENE: MELLADRAFT_124266;                                             
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    CYSTEINE KNOT PROTEIN, POPLAR RUST, EFFECTOR, UNKNOWN FUNCTION        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.TSAN                                                                
*REVDAT   1   22-AUG-18 6H0I    0                                                
# Restraints file 1: 25_1.tbl
 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (  segid "   A" and resid 63   and name  HG1#)
      3.985     0.996     0.996
 or   
   (( segid "   A" and resid 59   and name  HN  ))
   (  segid "   A" and resid 63   and name  HG2#)

 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (( segid "   A" and resid 62   and name  HN  ))
      5.649     1.412     1.412

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 44   and name  HB1 ))
      3.145     0.786     0.786

 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (( segid "   A" and resid 60   and name  HB  ))
      4.444     1.111     1.111

 assi 
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 26   and name  HA  ))
      2.523     0.631     0.631

 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (  segid "   A" and resid 48   and name  HB# )
      4.630     1.157     1.157

 assi 
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 15   and name  HG1 ))
      4.862     1.215     1.215

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 58   and name  HB1 ))
      3.081     0.770     0.770

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 49   and name  HG1 ))
      4.269     1.067     1.067

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 29   and name  HB1 ))
      4.095     1.024     1.024

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 50   and name  HN  ))
      4.077     1.019     1.019

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 49   and name  HE22))
      4.711     1.178     1.178

 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 63   and name  HB  ))
      4.503     1.126     1.126

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))
      4.647     1.162     1.162

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 49   and name  HA  ))
      3.577     0.894     0.894

 assi 
   (  segid "   A" and resid 63   and name  HG1#)
   (( segid "   A" and resid 61   and name  HN  ))
      4.525     1.131     1.131

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 63   and name  HN  ))
      3.453     0.863     0.863

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HA  ))
      3.259     0.815     0.815

 assi 
   (( segid "   A" and resid 49   and name  HE22))
   (( segid "   A" and resid 49   and name  HE21))
      2.297     0.574     0.574

 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HA  ))
      3.885     0.971     0.971

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 50   and name  HB1 ))
      4.110     1.027     1.027

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 56   and name  HN  ))
      4.634     1.158     1.158

 assi 
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 26   and name  HB2 ))
      3.012     0.753     0.753

 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 48   and name  HN  ))
      4.128     1.032     1.032

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 60   and name  HN  ))
      4.457     1.114     1.114

 assi 
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 15   and name  HB2 ))
      3.835     0.959     0.959

 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 35   and name  HB1 ))
      4.719     1.180     1.180

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 49   and name  HA  ))
      3.590     0.897     0.897

 assi 
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 40   and name  HB1 ))
      3.742     0.936     0.936

 assi 
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB  ))
      3.723     0.931     0.931

 assi 
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      3.472     0.868     0.868
 or   
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB1 ))

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 50   and name  HN  ))
      4.753     1.188     1.188

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 48   and name  HA  ))
      3.912     0.978     0.978

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 66   and name  HB1 ))
      4.787     1.197     1.197

 assi 
   (( segid "   A" and resid 34   and name  HN  ))
   (( segid "   A" and resid 32   and name  HA  ))
      4.879     1.220     1.220

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 58   and name  HB2 ))
      3.301     0.825     0.825
 or   
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 44   and name  HB2 ))

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 64   and name  HA  ))
      3.430     0.857     0.857

 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 12   and name  HB2 ))
      4.709     1.177     1.177

 assi 
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 49   and name  HN  ))
      3.564     0.891     0.891

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 6    and name  HA  ))
      2.648     0.662     0.662

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB1 ))
      5.430     1.358     1.358

 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (( segid "   A" and resid 62   and name  HA2 ))
      2.852     0.713     0.713

 assi 
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 18   and name  HA  ))
      3.040     0.760     0.760

 assi 
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 26   and name  HB1 ))
      2.918     0.730     0.730

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 4    and name  HB1 ))
      4.609     1.152     1.152
 or   
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 4    and name  HB2 ))

 assi 
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB1 ))
      4.151     1.038     1.038

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 25   and name  HB1 ))
      3.408     0.852     0.852

 assi 
   (( segid "   A" and resid 35   and name  HB1 ))
   (( segid "   A" and resid 35   and name  HN  ))
      3.803     0.951     0.951

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HA  ))
      3.229     0.807     0.807

 assi 
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 40   and name  HN  ))
      4.288     1.072     1.072

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HD2 ))
      4.821     1.205     1.205

 assi 
   (( segid "   A" and resid 48   and name  HA  ))
   (( segid "   A" and resid 51   and name  HN  ))
      3.454     0.864     0.864

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 58   and name  HB1 ))
      4.040     1.010     1.010

 assi 
   (( segid "   A" and resid 35   and name  HN  ))
   (( segid "   A" and resid 34   and name  HA1 ))
      3.367     0.842     0.842
 or   
   (( segid "   A" and resid 35   and name  HN  ))
   (( segid "   A" and resid 34   and name  HA2 ))

 assi 
   (( segid "   A" and resid 8    and name  HN  ))
   (  segid "   A" and resid 5    and name  HG2#)
      4.361     1.090     1.090

 assi 
   (( segid "   A" and resid 15   and name  HB2 ))
   (( segid "   A" and resid 14   and name  HN  ))
      4.360     1.090     1.090
 or   
   (( segid "   A" and resid 15   and name  HB1 ))
   (( segid "   A" and resid 14   and name  HN  ))

 assi 
   (( segid "   A" and resid 66   and name  HB1 ))
   (( segid "   A" and resid 66   and name  HN  ))
      3.156     0.789     0.789

 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (( segid "   A" and resid 62   and name  HA1 ))
      2.797     0.699     0.699

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 13   and name  HA1 ))
      4.003     1.001     1.001

 assi 
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 18   and name  HB1 ))
      3.926     0.982     0.982

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 65   and name  HB  ))
      4.693     1.173     1.173

 assi 
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 18   and name  HG2 ))
      3.243     0.811     0.811
 or   
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 18   and name  HG1 ))

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 5    and name  HA  ))
      3.848     0.962     0.962

 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))
      2.572     0.643     0.643

 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA2 ))
      3.575     0.894     0.894

 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA1 ))
      3.924     0.981     0.981

 assi 
   (( segid "   A" and resid 35   and name  HB2 ))
   (( segid "   A" and resid 35   and name  HN  ))
      3.662     0.915     0.915

 assi 
   (( segid "   A" and resid 49   and name  HE22))
   (( segid "   A" and resid 49   and name  HA  ))
      4.718     1.179     1.179

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HN  ))
      3.201     0.800     0.800

 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 61   and name  HB1 ))
      3.196     0.799     0.799
 or   
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 61   and name  HB2 ))

 assi 
   (( segid "   A" and resid 49   and name  HG2 ))
   (( segid "   A" and resid 52   and name  HN  ))
      4.837     1.209     1.209

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 65   and name  HN  ))
      5.989     1.497     1.497

 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 49   and name  HN  ))
      5.425     1.356     1.356

 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 37   and name  HB2 ))
      3.349     0.837     0.837

 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB1 ))
      4.808     1.202     1.202

 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB1 ))
      2.882     0.720     0.720

 assi 
   (( segid "   A" and resid 12   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HN  ))
      3.747     0.937     0.937

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 54   and name  HN  ))
      3.176     0.794     0.794

 assi 
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 51   and name  HN  ))
      4.364     1.091     1.091

 assi 
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      3.577     0.894     0.894

 assi 
   (( segid "   A" and resid 35   and name  HN  ))
   (( segid "   A" and resid 35   and name  HA  ))
      3.732     0.933     0.933

 assi 
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))
      3.753     0.938     0.938

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (  segid "   A" and resid 24   and name  HD1#)
      4.013     1.003     1.003

 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 61   and name  HA  ))
      4.699     1.175     1.175

 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 11   and name  HA  ))
      4.315     1.079     1.079

 assi 
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 51   and name  HN  ))
      4.363     1.091     1.091

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))
      2.756     0.689     0.689

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 62   and name  HN  ))
      4.207     1.052     1.052

 assi 
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 49   and name  HN  ))
      2.993     0.748     0.748

 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (  segid "   A" and resid 60   and name  HG2#)
      4.226     1.057     1.057

 assi 
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 6    and name  HG2 ))
      4.602     1.151     1.151
 or   
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 6    and name  HG1 ))

 assi 
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 52   and name  HN  ))
      3.808     0.952     0.952

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 51   and name  HD1 ))
      5.536     1.384     1.384

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      4.644     1.161     1.161

 assi 
   (( segid "   A" and resid 64   and name  HN  ))
   (( segid "   A" and resid 42   and name  HN  ))
      4.143     1.036     1.036

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))
      4.690     1.173     1.173

 assi 
   (( segid "   A" and resid 51   and name  HD1 ))
   (( segid "   A" and resid 53   and name  HN  ))
      4.395     1.099     1.099

 assi 
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 64   and name  HN  ))
      5.220     1.305     1.305

 assi 
   (( segid "   A" and resid 49   and name  HE21))
   (( segid "   A" and resid 44   and name  HA  ))
      4.235     1.059     1.059

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 51   and name  HN  ))
      3.054     0.763     0.763

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))
      3.067     0.767     0.767

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 67   and name  HA  ))
      3.528     0.882     0.882

 assi 
   (( segid "   A" and resid 66   and name  HN  ))
   (( segid "   A" and resid 67   and name  HN  ))
      4.604     1.151     1.151

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (  segid "   A" and resid 5    and name  HG2#)
      4.024     1.006     1.006

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))
      3.278     0.820     0.820

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA2 ))
      3.194     0.798     0.798

 assi 
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA1 ))
      3.885     0.971     0.971

 assi 
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 7    and name  HA  ))
      2.695     0.674     0.674

 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (( segid "   A" and resid 61   and name  HN  ))
      3.300     0.825     0.825

 assi 
   (( segid "   A" and resid 12   and name  HB2 ))
   (( segid "   A" and resid 12   and name  HN  ))
      2.958     0.739     0.739

 assi 
   (( segid "   A" and resid 55   and name  HB2 ))
   (( segid "   A" and resid 53   and name  HN  ))
      4.635     1.159     1.159

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 65   and name  HN  ))
      3.819     0.955     0.955

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HA2 ))
      2.880     0.720     0.720

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      3.244     0.811     0.811

 assi 
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB1 ))
      4.333     1.083     1.083

 assi 
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 68   and name  HN  ))
      4.477     1.119     1.119

 assi 
   (( segid "   A" and resid 49   and name  HE21))
   (( segid "   A" and resid 45   and name  HN  ))
      4.269     1.067     1.067

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 49   and name  HN  ))
      3.043     0.761     0.761

 assi 
   (( segid "   A" and resid 67   and name  HN  ))
   (( segid "   A" and resid 68   and name  HN  ))
      4.309     1.077     1.077

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HN  ))
      3.118     0.779     0.779

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 56   and name  HN  ))
      5.519     1.380     1.380

 assi 
   (( segid "   A" and resid 49   and name  HG2 ))
   (( segid "   A" and resid 45   and name  HN  ))
      4.411     1.103     1.103

 assi 
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HG12))
      3.160     0.790     0.790

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA1 ))
      3.043     0.761     0.761

 assi 
   (( segid "   A" and resid 67   and name  HN  ))
   (( segid "   A" and resid 66   and name  HA  ))
      3.159     0.790     0.790

 assi 
   (  segid "   A" and resid 63   and name  HG2#)
   (( segid "   A" and resid 44   and name  HN  ))
      3.530     0.882     0.882

 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 52   and name  HA  ))
      4.624     1.156     1.156

 assi 
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 35   and name  HA  ))
      3.316     0.829     0.829

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      2.555     0.639     0.639

 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 59   and name  HA  ))
      4.261     1.065     1.065

 assi 
   (( segid "   A" and resid 49   and name  HE21))
   (( segid "   A" and resid 49   and name  HN  ))
      4.253     1.063     1.063

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG2#)
      4.881     1.220     1.220

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 57   and name  HA1 ))
      4.479     1.120     1.120

 assi 
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 46   and name  HA  ))
      3.975     0.994     0.994

 assi 
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 64   and name  HB1 ))
      4.102     1.025     1.025

 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (( segid "   A" and resid 61   and name  HA  ))
      3.535     0.884     0.884

 assi 
   (( segid "   A" and resid 53   and name  HN  ))
   (  segid "   A" and resid 52   and name  HB# )
      3.283     0.821     0.821

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      3.310     0.828     0.828

 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 63   and name  HA  ))
      5.351     1.338     1.338

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB2 ))
      4.716     1.179     1.179

 assi 
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 53   and name  HB2 ))
      3.330     0.832     0.832

 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (( segid "   A" and resid 45   and name  HA  ))
      4.446     1.111     1.111

 assi 
   (( segid "   A" and resid 67   and name  HA  ))
   (( segid "   A" and resid 67   and name  HN  ))
      3.890     0.973     0.973

 assi 
   (( segid "   A" and resid 34   and name  HN  ))
   (( segid "   A" and resid 33   and name  HA1 ))
      2.642     0.661     0.661
 or   
   (( segid "   A" and resid 34   and name  HN  ))
   (( segid "   A" and resid 33   and name  HA2 ))

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      5.196     1.299     1.299

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 33   and name  HA1 ))
      4.234     1.059     1.059

 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (( segid "   A" and resid 63   and name  HN  ))
      2.923     0.731     0.731

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 60   and name  HN  ))
      5.321     1.330     1.330

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 49   and name  HG2 ))
      3.653     0.913     0.913

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG1#)
      3.755     0.939     0.939

 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 61   and name  HA  ))
      3.442     0.860     0.860

 assi 
   (( segid "   A" and resid 67   and name  HN  ))
   (( segid "   A" and resid 56   and name  HB2 ))
      3.957     0.989     0.989

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 28   and name  HB1 ))
      4.160     1.040     1.040

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 58   and name  HB2 ))
      4.009     1.002     1.002

 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 13   and name  HA1 ))
      2.827     0.707     0.707

 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 58   and name  HB2 ))
      4.685     1.171     1.171

 assi 
   (( segid "   A" and resid 51   and name  HD2 ))
   (( segid "   A" and resid 51   and name  HN  ))
      4.225     1.056     1.056

 assi 
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 69   and name  HB1 ))
      3.275     0.819     0.819

 assi 
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.350     0.837     0.837

 assi 
   (( segid "   A" and resid 12   and name  HB2 ))
   (( segid "   A" and resid 11   and name  HN  ))
      4.568     1.142     1.142

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))
      3.218     0.805     0.805

 assi 
   (( segid "   A" and resid 67   and name  HN  ))
   (( segid "   A" and resid 67   and name  HB1 ))
      3.893     0.973     0.973

 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (( segid "   A" and resid 63   and name  HA  ))
      4.427     1.107     1.107

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 65   and name  HN  ))
      4.131     1.033     1.033

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG2#)
      3.652     0.913     0.913

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      4.718     1.179     1.179

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 57   and name  HA2 ))
      2.982     0.746     0.746
 or   
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 57   and name  HA1 ))

 assi 
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 32   and name  HG1 ))
      3.509     0.877     0.877
 or   
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 32   and name  HG2 ))

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 56   and name  HB2 ))
      3.491     0.873     0.873

 assi 
   (( segid "   A" and resid 62   and name  HA2 ))
   (( segid "   A" and resid 64   and name  HN  ))
      5.224     1.306     1.306

 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 47   and name  HB1 ))
      3.213     0.803     0.803

 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))
      4.560     1.140     1.140

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HA2 ))
      2.976     0.744     0.744

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 62   and name  HA1 ))
      4.107     1.027     1.027

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (  segid "   A" and resid 48   and name  HB# )
      4.941     1.235     1.235

 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 46   and name  HA  ))
      3.112     0.778     0.778

 assi 
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 46   and name  HA  ))
      4.673     1.168     1.168

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA  ))
      3.675     0.919     0.919

 assi 
   (( segid "   A" and resid 67   and name  HN  ))
   (( segid "   A" and resid 67   and name  HB2 ))
      3.854     0.964     0.964

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 48   and name  HA  ))
      3.978     0.995     0.995

 assi 
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.853     0.963     0.963

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 62   and name  HN  ))
      4.448     1.112     1.112

 assi 
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.449     0.862     0.862

 assi 
   (( segid "   A" and resid 15   and name  HG2 ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.798     0.949     0.949

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HA1 ))
      3.059     0.765     0.765

 assi 
   (( segid "   A" and resid 49   and name  HG2 ))
   (( segid "   A" and resid 48   and name  HN  ))
      5.108     1.277     1.277

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 55   and name  HN  ))
      4.423     1.106     1.106

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.020     0.755     0.755

 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (( segid "   A" and resid 60   and name  HA  ))
      3.835     0.959     0.959

 assi 
   (( segid "   A" and resid 66   and name  HB1 ))
   (( segid "   A" and resid 67   and name  HN  ))
      3.841     0.960     0.960

 assi 
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 46   and name  HB1 ))
      3.912     0.978     0.978
 or   
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 46   and name  HB2 ))

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 46   and name  HA  ))
      5.030     1.257     1.257

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      3.723     0.931     0.931

 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 38   and name  HN  ))
      3.706     0.927     0.927

 assi 
   (( segid "   A" and resid 55   and name  HA  ))
   (( segid "   A" and resid 57   and name  HN  ))
      4.241     1.060     1.060

 assi 
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 53   and name  HD2 ))
      4.239     1.060     1.060
 or   
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 53   and name  HD1 ))

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 65   and name  HN  ))
      3.678     0.920     0.920

 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (  segid "   A" and resid 43   and name  HB# )
      2.619     0.655     0.655

 assi 
   (( segid "   A" and resid 4    and name  HB2 ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.611     0.903     0.903

 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 64   and name  HB2 ))
      5.185     1.296     1.296

 assi 
   (( segid "   A" and resid 65   and name  HN  ))
   (( segid "   A" and resid 64   and name  HN  ))
      4.005     1.001     1.001

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 58   and name  HB2 ))
      3.309     0.827     0.827

 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (( segid "   A" and resid 63   and name  HN  ))
      3.002     0.750     0.750

 assi 
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HB  ))
      2.854     0.713     0.713

 assi 
   (( segid "   A" and resid 15   and name  HB2 ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.207     0.802     0.802

 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 64   and name  HN  ))
      3.704     0.926     0.926

 assi 
   (( segid "   A" and resid 49   and name  HG1 ))
   (( segid "   A" and resid 49   and name  HN  ))
      3.135     0.784     0.784

 assi 
   (( segid "   A" and resid 35   and name  HB2 ))
   (( segid "   A" and resid 36   and name  HN  ))
      4.331     1.083     1.083

 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 63   and name  HA  ))
      4.792     1.198     1.198

 assi 
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 8    and name  HB1 ))
      3.250     0.812     0.812

 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 42   and name  HN  ))
      4.306     1.077     1.077

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 57   and name  HN  ))
      3.502     0.875     0.875

 assi 
   (( segid "   A" and resid 49   and name  HG1 ))
   (( segid "   A" and resid 49   and name  HE21))
      3.629     0.907     0.907

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 47   and name  HN  ))
      4.878     1.219     1.219

 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (( segid "   A" and resid 63   and name  HB  ))
      5.219     1.305     1.305

 assi 
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 17   and name  HB2 ))
      2.806     0.702     0.702

 assi 
   (( segid "   A" and resid 66   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG2#)
      3.897     0.974     0.974

 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 63   and name  HN  ))
      4.338     1.084     1.084

 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.148     0.787     0.787

 assi 
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      2.963     0.741     0.741

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 53   and name  HB2 ))
      4.473     1.118     1.118

 assi 
   (( segid "   A" and resid 49   and name  HG2 ))
   (( segid "   A" and resid 49   and name  HN  ))
      2.950     0.737     0.737

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB2 ))
      3.318     0.829     0.829

 assi 
   (( segid "   A" and resid 32   and name  HG2 ))
   (( segid "   A" and resid 33   and name  HN  ))
      4.459     1.115     1.115
 or   
   (( segid "   A" and resid 32   and name  HG1 ))
   (( segid "   A" and resid 33   and name  HN  ))

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG1#)
      5.887     1.472     1.472

 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 63   and name  HA  ))
      4.482     1.121     1.121

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 4    and name  HB1 ))
      4.329     1.082     1.082

 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (( segid "   A" and resid 61   and name  HB1 ))
      5.395     1.349     1.349

 assi 
   (( segid "   A" and resid 36   and name  HB2 ))
   (( segid "   A" and resid 35   and name  HN  ))
      4.758     1.189     1.189
 or   
   (( segid "   A" and resid 36   and name  HB1 ))
   (( segid "   A" and resid 35   and name  HN  ))

 assi 
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 5    and name  HN  ))
      4.081     1.020     1.020

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 53   and name  HD2 ))
      5.573     1.393     1.393
 or   
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 53   and name  HD1 ))

 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      4.053     1.013     1.013

 assi 
   (( segid "   A" and resid 67   and name  HN  ))
   (( segid "   A" and resid 56   and name  HA  ))
      4.291     1.073     1.073

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 51   and name  HN  ))
      3.103     0.776     0.776

 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG2#)
      5.135     1.284     1.284

 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 37   and name  HG2 ))
      3.635     0.909     0.909
 or   
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 37   and name  HG1 ))

 assi 
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 64   and name  HB2 ))
      4.318     1.079     1.079

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 53   and name  HB1 ))
      3.997     0.999     0.999

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 65   and name  HN  ))
      4.429     1.107     1.107

 assi 
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))
      4.376     1.094     1.094

 assi 
   (( segid "   A" and resid 49   and name  HG1 ))
   (( segid "   A" and resid 45   and name  HN  ))
      5.055     1.264     1.264

 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 46   and name  HB1 ))
      3.362     0.841     0.841
 or   
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA  ))

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 24   and name  HB2 ))
      3.293     0.823     0.823
 or   
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 24   and name  HB1 ))

 assi 
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 49   and name  HN  ))
      5.239     1.310     1.310

 assi 
   (( segid "   A" and resid 67   and name  HN  ))
   (( segid "   A" and resid 56   and name  HB1 ))
      4.326     1.081     1.081

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB1 ))
      3.296     0.824     0.824

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 11   and name  HA  ))
      2.900     0.725     0.725

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))
      3.095     0.774     0.774

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB1 ))
      3.616     0.904     0.904

 assi 
   (( segid "   A" and resid 26   and name  HB1 ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.025     0.756     0.756

 assi 
   (( segid "   A" and resid 67   and name  HA  ))
   (( segid "   A" and resid 69   and name  HN  ))
      4.868     1.217     1.217

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.412     0.853     0.853

 assi 
   (( segid "   A" and resid 38   and name  HA2 ))
   (( segid "   A" and resid 38   and name  HN  ))
      3.267     0.817     0.817

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 54   and name  HN  ))
      3.151     0.788     0.788

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (  segid "   A" and resid 11   and name  HG2#)
      3.547     0.887     0.887

 assi 
   (( segid "   A" and resid 49   and name  HE21))
   (( segid "   A" and resid 49   and name  HA  ))
      4.611     1.153     1.153

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (  segid "   A" and resid 52   and name  HB# )
      4.495     1.124     1.124

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 63   and name  HN  ))
      4.555     1.139     1.139

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 53   and name  HB1 ))
      4.109     1.027     1.027

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (  segid "   A" and resid 11   and name  HG2#)
      3.530     0.883     0.883

 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 37   and name  HA  ))
      3.088     0.772     0.772

 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB1 ))
      3.123     0.781     0.781

 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 48   and name  HA  ))
      3.689     0.922     0.922

 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (( segid "   A" and resid 60   and name  HB  ))
      5.027     1.257     1.257

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 5    and name  HG11))
      4.318     1.080     1.080

 assi 
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA1 ))
      4.359     1.090     1.090

 assi 
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 25   and name  HG1 ))
      4.128     1.032     1.032
 or   
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 25   and name  HG2 ))

 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 42   and name  HN  ))
      4.241     1.060     1.060

 assi 
   (( segid "   A" and resid 65   and name  HB  ))
   (( segid "   A" and resid 65   and name  HN  ))
      3.820     0.955     0.955

 assi 
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 37   and name  HG1 ))
      4.789     1.197     1.197
 or   
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 37   and name  HG2 ))

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 11   and name  HG11))
      3.898     0.974     0.974

 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (  segid "   A" and resid 60   and name  HG2#)
      5.244     1.311     1.311

 assi 
   (( segid "   A" and resid 26   and name  HB2 ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.198     0.800     0.800

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 13   and name  HN  ))
      3.244     0.811     0.811

 assi 
   (( segid "   A" and resid 26   and name  HB2 ))
   (( segid "   A" and resid 25   and name  HN  ))
      4.423     1.106     1.106

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 5    and name  HB  ))
      3.384     0.846     0.846

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HN  ))
      4.677     1.169     1.169

 assi 
   (( segid "   A" and resid 4    and name  HB1 ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.652     0.913     0.913

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA2 ))
      3.889     0.972     0.972

 assi 
   (( segid "   A" and resid 12   and name  HE22))
   (( segid "   A" and resid 12   and name  HE21))
      1.951     0.231     0.488

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      3.630     0.908     0.908

 assi 
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      2.967     0.742     0.742

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 55   and name  HN  ))
      4.822     1.206     1.206

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      3.846     0.962     0.962

 assi 
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.018     0.754     0.754

 assi 
   (( segid "   A" and resid 37   and name  HB1 ))
   (( segid "   A" and resid 38   and name  HN  ))
      4.442     1.110     1.110

 assi 
   (( segid "   A" and resid 25   and name  HB1 ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.569     0.892     0.892

 assi 
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HG2 ))
      3.889     0.972     0.972
 or   
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HG1 ))

 assi 
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 18   and name  HB2 ))
      3.271     0.818     0.818

 assi 
   (( segid "   A" and resid 12   and name  HE21))
   (( segid "   A" and resid 12   and name  HA  ))
      4.518     1.129     1.129

 assi 
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 37   and name  HG1 ))
      4.735     1.184     1.184
 or   
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 37   and name  HG2 ))

 assi 
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 38   and name  HN  ))
      4.115     1.029     1.029

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG1#)
      4.154     1.039     1.039

 assi 
   (( segid "   A" and resid 67   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG1#)
      4.059     1.015     1.015

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 5    and name  HG12))
      4.283     1.071     1.071

 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB2 ))
      3.370     0.843     0.843

 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 60   and name  HA  ))
      3.706     0.926     0.926

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 59   and name  HA  ))
      3.294     0.824     0.824

 assi 
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 49   and name  HN  ))
      3.012     0.753     0.753

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 53   and name  HA  ))
      4.821     1.205     1.205

 assi 
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB1 ))
      3.508     0.877     0.877
 or   
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB2 ))

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 53   and name  HA  ))
      3.833     0.958     0.958

 assi 
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      2.982     0.746     0.746
 or   
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB1 ))

 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (( segid "   A" and resid 60   and name  HB  ))
      4.399     1.100     1.100

 assi 
   (( segid "   A" and resid 25   and name  HB2 ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.694     0.924     0.924

 assi 
   (( segid "   A" and resid 35   and name  HB1 ))
   (( segid "   A" and resid 36   and name  HN  ))
      4.399     1.100     1.100

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 44   and name  HN  ))
      5.053     1.263     1.263

 assi 
   (( segid "   A" and resid 12   and name  HB1 ))
   (( segid "   A" and resid 12   and name  HE21))
      5.097     1.274     1.274

 assi 
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HA  ))
      2.838     0.709     0.709

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 29   and name  HN  ))
      3.223     0.806     0.806

 assi 
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))
      2.706     0.676     0.676

 assi 
   (( segid "   A" and resid 67   and name  HN  ))
   (( segid "   A" and resid 68   and name  HN  ))
      4.799     1.200     1.200

 assi 
   (( segid "   A" and resid 49   and name  HE21))
   (( segid "   A" and resid 49   and name  HN  ))
      2.998     0.750     0.750
 or   
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 49   and name  HN  ))

 assi 
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 68   and name  HB1 ))
      3.546     0.887     0.887

 assi 
   (  segid "   A" and resid 63   and name  HG1#)
   (( segid "   A" and resid 42   and name  HN  ))
      4.436     1.109     1.109
 or   
   (  segid "   A" and resid 63   and name  HG2#)
   (( segid "   A" and resid 42   and name  HN  ))

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 29   and name  HA  ))
      3.095     0.774     0.774

 assi 
   (( segid "   A" and resid 66   and name  HN  ))
   (( segid "   A" and resid 67   and name  HN  ))
      4.551     1.138     1.138

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 57   and name  HN  ))
      3.156     0.789     0.789

 assi 
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB2 ))
      4.026     1.007     1.007

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      4.525     1.131     1.131

 assi 
   (( segid "   A" and resid 49   and name  HG2 ))
   (( segid "   A" and resid 49   and name  HE21))
      3.714     0.928     0.928

 assi 
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 12   and name  HA  ))
      2.893     0.723     0.723

 assi 
   (( segid "   A" and resid 28   and name  HB1 ))
   (( segid "   A" and resid 28   and name  HN  ))
      3.112     0.778     0.778

 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (( segid "   A" and resid 59   and name  HA  ))
      3.486     0.872     0.872

 assi 
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 53   and name  HB1 ))
      3.099     0.775     0.775

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 8    and name  HB1 ))
      4.336     1.084     1.084

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))
      4.564     1.141     1.141

 assi 
   (( segid "   A" and resid 49   and name  HE22))
   (( segid "   A" and resid 45   and name  HN  ))
      4.746     1.186     1.186

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 31   and name  HN  ))
      3.279     0.820     0.820

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 25   and name  HG1 ))
      3.384     0.846     0.846
 or   
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 25   and name  HG2 ))

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 46   and name  HB1 ))
      3.817     0.954     0.954

 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HG2 ))
      3.107     0.777     0.777
 or   
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HG1 ))

 assi 
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))
      4.601     1.150     1.150

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB1 ))
      3.713     0.928     0.928

 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 62   and name  HA2 ))
      3.448     0.862     0.862

 assi 
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 69   and name  HA  ))
      3.843     0.961     0.961

 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB  ))
      4.235     1.059     1.059

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 49   and name  HE21))
      4.192     1.048     1.048

 assi 
   (( segid "   A" and resid 15   and name  HB1 ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.381     0.845     0.845
 or   
   (( segid "   A" and resid 15   and name  HB2 ))
   (( segid "   A" and resid 15   and name  HN  ))

 assi 
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB1 ))
      3.186     0.797     0.797

 assi 
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 63   and name  HA  ))
      4.276     1.069     1.069
 or   
   (( segid "   A" and resid 64   and name  HA  ))
   (( segid "   A" and resid 42   and name  HN  ))

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 6    and name  HG1 ))
      3.984     0.996     0.996
 or   
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 6    and name  HG2 ))

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))
      2.947     0.737     0.737

 assi 
   (( segid "   A" and resid 49   and name  HE21))
   (( segid "   A" and resid 45   and name  HN  ))
      4.327     1.082     1.082

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 29   and name  HA  ))
      3.232     0.808     0.808

 assi 
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 19   and name  HN  ))
      2.757     0.689     0.689

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB2 ))
      3.850     0.963     0.963

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HA  ))
      3.535     0.884     0.884

 assi 
   (( segid "   A" and resid 40   and name  HB1 ))
   (( segid "   A" and resid 40   and name  HN  ))
      3.665     0.916     0.916

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA1 ))
      3.934     0.984     0.984

 assi 
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 67   and name  HB1 ))
      4.210     1.052     1.052

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 11   and name  HB  ))
      3.351     0.838     0.838

 assi 
   (( segid "   A" and resid 18   and name  HG1 ))
   (( segid "   A" and resid 19   and name  HN  ))
      3.986     0.996     0.996
 or   
   (( segid "   A" and resid 18   and name  HG2 ))
   (( segid "   A" and resid 19   and name  HN  ))

 assi 
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 12   and name  HG2 ))
      3.683     0.921     0.921

 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.199     0.800     0.800

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG1#)
      4.265     1.066     1.066

 assi 
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 35   and name  HA  ))
      3.344     0.836     0.836

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 62   and name  HA2 ))
      4.245     1.061     1.061

 assi 
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))
      2.882     0.720     0.720

 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 13   and name  HN  ))
      3.248     0.812     0.812

 assi 
   (  segid "   A" and resid 63   and name  HG2#)
   (( segid "   A" and resid 63   and name  HN  ))
      2.878     0.719     0.719
 or   
   (  segid "   A" and resid 63   and name  HG1#)
   (( segid "   A" and resid 63   and name  HN  ))

 assi 
   (( segid "   A" and resid 48   and name  HA  ))
   (( segid "   A" and resid 49   and name  HN  ))
      3.495     0.874     0.874

 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG1#)
      6.085     1.521     1.521

 assi 
   (( segid "   A" and resid 6    and name  HB2 ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.604     0.901     0.901

 assi 
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA1 ))
      4.260     1.065     1.065

 assi 
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB1 ))
      3.988     0.997     0.997

 assi 
   (( segid "   A" and resid 66   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG1#)
      3.497     0.874     0.874

 assi 
   (( segid "   A" and resid 64   and name  HA  ))
   (( segid "   A" and resid 65   and name  HN  ))
      2.880     0.720     0.720

 assi 
   (( segid "   A" and resid 65   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG2#)
      3.187     0.797     0.797

 assi 
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 20   and name  HN  ))
      3.896     0.974     0.974

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 51   and name  HN  ))
      5.378     1.345     1.345

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG2#)
      3.592     0.898     0.898

 assi 
   (( segid "   A" and resid 35   and name  HN  ))
   (( segid "   A" and resid 34   and name  HA1 ))
      3.137     0.784     0.784
 or   
   (( segid "   A" and resid 35   and name  HN  ))
   (( segid "   A" and resid 34   and name  HA2 ))

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 23   and name  HA  ))
      4.109     1.027     1.027

 assi 
   (( segid "   A" and resid 12   and name  HE21))
   (( segid "   A" and resid 12   and name  HG1 ))
      4.365     1.091     1.091

 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.199     0.800     0.800

 assi 
   (( segid "   A" and resid 4    and name  HB2 ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.595     0.899     0.899

 assi 
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 49   and name  HE21))
      5.570     1.392     1.392

 assi 
   (( segid "   A" and resid 41   and name  HA2 ))
   (( segid "   A" and resid 42   and name  HN  ))
      4.018     1.005     1.005

 assi 
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 49   and name  HN  ))
      4.768     1.192     1.192

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 48   and name  HN  ))
      5.769     1.442     1.442

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 56   and name  HN  ))
      4.765     1.191     1.191

 assi 
   (( segid "   A" and resid 6    and name  HB1 ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.294     0.824     0.824

 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 64   and name  HB1 ))
      5.028     1.257     1.257

 assi 
   (( segid "   A" and resid 44   and name  HB1 ))
   (( segid "   A" and resid 45   and name  HN  ))
      3.524     0.881     0.881

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 44   and name  HN  ))
      5.140     1.285     1.285

 assi 
   (  segid "   A" and resid 5    and name  HG2#)
   (( segid "   A" and resid 6    and name  HN  ))
      3.595     0.899     0.899

 assi 
   (( segid "   A" and resid 67   and name  HA  ))
   (( segid "   A" and resid 68   and name  HN  ))
      3.687     0.922     0.922

 assi 
   (( segid "   A" and resid 65   and name  HN  ))
   (( segid "   A" and resid 58   and name  HA  ))
      3.722     0.930     0.930

 assi 
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 20   and name  HA  ))
      3.581     0.895     0.895

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 64   and name  HA  ))
      4.378     1.094     1.094

 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 59   and name  HA  ))
      4.508     1.127     1.127

 assi 
   (( segid "   A" and resid 12   and name  HE22))
   (( segid "   A" and resid 12   and name  HE21))
      1.956     0.236     0.489

 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 13   and name  HN  ))
      3.274     0.819     0.819

 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (( segid "   A" and resid 44   and name  HN  ))
      4.917     1.229     1.229

 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 62   and name  HA1 ))
      3.401     0.850     0.850

 assi 
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 64   and name  HB1 ))
      3.756     0.939     0.939

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))
      3.228     0.807     0.807

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HN  ))
      4.529     1.132     1.132

 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 58   and name  HA  ))
      4.284     1.071     1.071

 assi 
   (  segid "   A" and resid 63   and name  HG2#)
   (( segid "   A" and resid 65   and name  HN  ))
      4.712     1.178     1.178
 or   
   (  segid "   A" and resid 63   and name  HG1#)
   (( segid "   A" and resid 65   and name  HN  ))

 assi 
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 44   and name  HN  ))
      3.812     0.953     0.953

 assi 
   (( segid "   A" and resid 17   and name  HN  ))
   (  segid "   A" and resid 17   and name  HD1#)
      3.969     0.992     0.992

 assi 
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 45   and name  HN  ))
      3.584     0.896     0.896

 assi 
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 68   and name  HB1 ))
      4.309     1.077     1.077

 assi 
   (( segid "   A" and resid 49   and name  HE21))
   (( segid "   A" and resid 49   and name  HA  ))
      4.611     1.153     1.153

 assi 
   (( segid "   A" and resid 33   and name  HA2 ))
   (( segid "   A" and resid 33   and name  HN  ))
      2.736     0.684     0.684
 or   
   (( segid "   A" and resid 33   and name  HA1 ))
   (( segid "   A" and resid 33   and name  HN  ))

 assi 
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 8    and name  HB2 ))
      3.222     0.805     0.805

 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA  ))
      4.610     1.152     1.152

 assi 
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      4.324     1.081     1.081

 assi 
   (( segid "   A" and resid 38   and name  HA1 ))
   (( segid "   A" and resid 38   and name  HN  ))
      3.373     0.843     0.843

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 57   and name  HN  ))
      4.336     1.084     1.084

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 56   and name  HA  ))
      5.101     1.275     1.275

 assi 
   (( segid "   A" and resid 12   and name  HB2 ))
   (( segid "   A" and resid 12   and name  HN  ))
      3.032     0.758     0.758

 assi 
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 27   and name  HA  ))
      2.488     0.622     0.622

 assi 
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.161     0.790     0.790

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 63   and name  HN  ))
      4.558     1.139     1.139

 assi 
   (( segid "   A" and resid 63   and name  HB  ))
   (( segid "   A" and resid 63   and name  HN  ))
      3.858     0.964     0.964

 assi 
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 47   and name  HB2 ))
      4.992     1.248     1.248

 assi 
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 64   and name  HB2 ))
      3.996     0.999     0.999

 assi 
   (( segid "   A" and resid 23   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      4.144     1.036     1.036

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 56   and name  HA  ))
      3.734     0.933     0.933

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (  segid "   A" and resid 43   and name  HB# )
      2.914     0.729     0.729

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 61   and name  HN  ))
      5.088     1.272     1.272

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 12   and name  HG1 ))
      3.363     0.841     0.841

 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (  segid "   A" and resid 60   and name  HG2#)
      3.609     0.902     0.902

 assi 
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 67   and name  HB1 ))
      4.247     1.062     1.062

 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 42   and name  HN  ))
      3.475     0.869     0.869

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 65   and name  HA  ))
      4.116     1.029     1.029

 assi 
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 36   and name  HA  ))
      3.282     0.821     0.821

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 23   and name  HA  ))
      4.318     1.079     1.079

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 51   and name  HD2 ))
      4.862     1.216     1.216

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 67   and name  HN  ))
      4.133     1.033     1.033

 assi 
   (( segid "   A" and resid 28   and name  HB2 ))
   (( segid "   A" and resid 28   and name  HN  ))
      2.957     0.739     0.739

 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))
      4.662     1.165     1.165

 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 63   and name  HA  ))
      3.369     0.842     0.842

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 63   and name  HA  ))
      3.144     0.786     0.786

 assi 
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 49   and name  HE22))
      5.312     1.328     1.328

 assi 
   (( segid "   A" and resid 60   and name  HB  ))
   (( segid "   A" and resid 61   and name  HN  ))
      4.132     1.033     1.033

 assi 
   (  segid "   A" and resid 63   and name  HG2#)
   (( segid "   A" and resid 62   and name  HN  ))
      3.919     0.980     0.980
 or   
   (  segid "   A" and resid 63   and name  HG1#)
   (( segid "   A" and resid 62   and name  HN  ))

 assi 
   (( segid "   A" and resid 12   and name  HE22))
   (( segid "   A" and resid 12   and name  HG1 ))
      3.837     0.959     0.959

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HG2 ))
      3.871     0.968     0.968
 or   
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HG1 ))

 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (( segid "   A" and resid 61   and name  HN  ))
      4.511     1.128     1.128

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 11   and name  HB  ))
      3.422     0.856     0.856

 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))
      4.590     1.147     1.147

 assi 
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 47   and name  HB1 ))
      4.371     1.093     1.093

 assi 
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 21   and name  HN  ))
      4.894     1.223     1.223

 assi 
   (  segid "   A" and resid 63   and name  HG2#)
   (( segid "   A" and resid 41   and name  HN  ))
      4.762     1.191     1.191

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))
      3.208     0.802     0.802

 assi 
   (( segid "   A" and resid 64   and name  HN  ))
   (( segid "   A" and resid 42   and name  HN  ))
      3.932     0.983     0.983

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))
      3.945     0.986     0.986

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB1 ))
      3.447     0.862     0.862

 assi 
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 45   and name  HA  ))
      3.551     0.888     0.888

 assi 
   (( segid "   A" and resid 65   and name  HN  ))
   (( segid "   A" and resid 65   and name  HA  ))
      3.622     0.906     0.906

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))
      4.402     1.101     1.101

 assi 
   (( segid "   A" and resid 65   and name  HN  ))
   (( segid "   A" and resid 64   and name  HN  ))
      4.578     1.144     1.144

 assi 
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB2 ))
      3.354     0.839     0.839

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 53   and name  HD2 ))
      4.583     1.146     1.146
 or   
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 53   and name  HD1 ))

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB1 ))
      3.334     0.834     0.834

 assi 
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 42   and name  HN  ))
      3.381     0.845     0.845

 assi 
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 32   and name  HB1 ))
      3.681     0.920     0.920

 assi 
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 50   and name  HN  ))
      4.115     1.029     1.029

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB1 ))
      3.276     0.819     0.819

 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 42   and name  HN  ))
      3.955     0.989     0.989

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 25   and name  HG1 ))
      3.593     0.898     0.898
 or   
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 25   and name  HG2 ))

 assi 
   (( segid "   A" and resid 55   and name  HB1 ))
   (( segid "   A" and resid 65   and name  HN  ))
      4.308     1.077     1.077

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 29   and name  HB2 ))
      3.911     0.978     0.978
 or   
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 29   and name  HB1 ))

 assi 
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB2 ))
      3.912     0.978     0.978

 assi 
   (( segid "   A" and resid 65   and name  HN  ))
   (( segid "   A" and resid 57   and name  HA2 ))
      4.678     1.170     1.170

 assi 
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 8    and name  HA  ))
      3.096     0.774     0.774

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 64   and name  HN  ))
      4.216     1.054     1.054

 assi 
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB1 ))
      3.525     0.881     0.881
 or   
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB2 ))

 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 64   and name  HN  ))
      4.429     1.107     1.107

 assi 
   (( segid "   A" and resid 50   and name  HB1 ))
   (( segid "   A" and resid 54   and name  HN  ))
      5.587     1.397     1.397

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 50   and name  HN  ))
      4.137     1.034     1.034

 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG1#)
      4.565     1.141     1.141

 assi 
   (( segid "   A" and resid 30   and name  HA2 ))
   (( segid "   A" and resid 32   and name  HN  ))
      3.666     0.917     0.917

 assi 
   (( segid "   A" and resid 37   and name  HB1 ))
   (( segid "   A" and resid 38   and name  HN  ))
      4.547     1.137     1.137

 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.587     0.897     0.897

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))
      4.672     1.168     1.168

 assi 
   (( segid "   A" and resid 66   and name  HN  ))
   (( segid "   A" and resid 65   and name  HB  ))
      3.173     0.793     0.793

 assi 
   (( segid "   A" and resid 65   and name  HN  ))
   (( segid "   A" and resid 64   and name  HB2 ))
      3.602     0.900     0.900

 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 56   and name  HA  ))
      4.631     1.158     1.158

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))
      3.031     0.758     0.758

 assi 
   (( segid "   A" and resid 65   and name  HN  ))
   (( segid "   A" and resid 64   and name  HB1 ))
      4.091     1.023     1.023

 assi 
   (( segid "   A" and resid 45   and name  HN  ))
   (  segid "   A" and resid 43   and name  HB# )
      5.120     1.280     1.280

 assi 
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 49   and name  HN  ))
      4.892     1.223     1.223

 assi 
   (( segid "   A" and resid 64   and name  HN  ))
   (( segid "   A" and resid 63   and name  HA  ))
      2.887     0.722     0.722

 assi 
   (( segid "   A" and resid 49   and name  HG1 ))
   (( segid "   A" and resid 49   and name  HE22))
      3.455     0.864     0.864

 assi 
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HA  ))
      2.654     0.664     0.664

 assi 
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 18   and name  HB2 ))
      4.659     1.165     1.165

 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))
      5.388     1.347     1.347

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 53   and name  HA  ))
      4.640     1.160     1.160

 assi 
   (( segid "   A" and resid 33   and name  HN  ))
   (( segid "   A" and resid 32   and name  HB1 ))
      3.987     0.997     0.997

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 51   and name  HG2 ))
      5.437     1.359     1.359
 or   
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 51   and name  HG1 ))

 assi 
   (( segid "   A" and resid 13   and name  HA1 ))
   (( segid "   A" and resid 13   and name  HN  ))
      2.556     0.639     0.639
 or   
   (( segid "   A" and resid 13   and name  HA2 ))
   (( segid "   A" and resid 13   and name  HN  ))

 assi 
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 46   and name  HB2 ))
      3.912     0.978     0.978

 assi 
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HA  ))
      2.873     0.718     0.718

 assi 
   (( segid "   A" and resid 50   and name  HB1 ))
   (( segid "   A" and resid 65   and name  HN  ))
      4.357     1.089     1.089

 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      4.208     1.052     1.052

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB1 ))
      4.110     1.028     1.028

 assi 
   (( segid "   A" and resid 64   and name  HN  ))
   (( segid "   A" and resid 58   and name  HA  ))
      4.703     1.176     1.176

 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 64   and name  HN  ))
      4.865     1.216     1.216

 assi 
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 6    and name  HN  ))
      2.649     0.662     0.662

 assi 
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 49   and name  HN  ))
      3.670     0.918     0.918

 assi 
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      3.848     0.962     0.962

 assi 
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 46   and name  HA  ))
      4.312     1.078     1.078

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 12   and name  HG2 ))
      3.422     0.855     0.855

 assi 
   (( segid "   A" and resid 30   and name  HA2 ))
   (( segid "   A" and resid 32   and name  HN  ))
      3.702     0.926     0.926

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB2 ))
      3.529     0.882     0.882

 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))
      3.990     0.997     0.997

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 64   and name  HA  ))
      4.741     1.185     1.185

 assi 
   (( segid "   A" and resid 49   and name  HN  ))
   (  segid "   A" and resid 52   and name  HB# )
      4.590     1.147     1.147

 assi 
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 12   and name  HG1 ))
      4.372     1.093     1.093

 assi 
   (( segid "   A" and resid 35   and name  HB2 ))
   (( segid "   A" and resid 35   and name  HN  ))
      3.478     0.870     0.870

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.092     0.773     0.773

 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA2 ))
      3.792     0.948     0.948

 assi 
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 32   and name  HB1 ))
      3.515     0.879     0.879

 assi 
   (( segid "   A" and resid 35   and name  HN  ))
   (( segid "   A" and resid 35   and name  HA  ))
      3.676     0.919     0.919

 assi 
   (( segid "   A" and resid 6    and name  HG1 ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.748     0.937     0.937
 or   
   (( segid "   A" and resid 6    and name  HG2 ))
   (( segid "   A" and resid 6    and name  HN  ))

 assi 
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 49   and name  HN  ))
      2.993     0.748     0.748

 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 63   and name  HN  ))
      4.156     1.039     1.039

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 46   and name  HA  ))
      3.322     0.830     0.830

 assi 
   (( segid "   A" and resid 64   and name  HN  ))
   (( segid "   A" and resid 64   and name  HB2 ))
      3.871     0.968     0.968

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 51   and name  HN  ))
      3.009     0.752     0.752

 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 37   and name  HB1 ))
      2.957     0.739     0.739

 assi 
   (( segid "   A" and resid 35   and name  HB1 ))
   (( segid "   A" and resid 35   and name  HN  ))
      3.571     0.893     0.893

 assi 
   (( segid "   A" and resid 49   and name  HE22))
   (( segid "   A" and resid 49   and name  HE21))
      2.341     0.585     0.585

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 61   and name  HA  ))
      4.479     1.120     1.120

 assi 
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB2 ))
      4.035     1.009     1.009

 assi 
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HA  ))
      3.322     0.830     0.830

 assi 
   (( segid "   A" and resid 63   and name  HB  ))
   (( segid "   A" and resid 64   and name  HN  ))
      3.410     0.853     0.853

 assi 
   (( segid "   A" and resid 18   and name  HG2 ))
   (( segid "   A" and resid 20   and name  HN  ))
      4.894     1.224     1.224
 or   
   (( segid "   A" and resid 18   and name  HG1 ))
   (( segid "   A" and resid 20   and name  HN  ))

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HA1 ))
      2.964     0.741     0.741

 assi 
   (( segid "   A" and resid 13   and name  HN  ))
   (  segid "   A" and resid 11   and name  HG2#)
      4.332     1.083     1.083

 assi 
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))
      5.183     1.296     1.296

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 58   and name  HA  ))
      2.748     0.687     0.687

 assi 
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HB1 ))
      3.444     0.861     0.861

 assi 
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 24   and name  HN  ))
      4.325     1.081     1.081

 assi 
   (( segid "   A" and resid 49   and name  HE22))
   (( segid "   A" and resid 44   and name  HA  ))
      4.511     1.128     1.128

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 51   and name  HN  ))
      4.791     1.198     1.198

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      4.935     1.234     1.234

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HA  ))
      3.300     0.825     0.825

 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 58   and name  HN  ))
      5.202     1.301     1.301

 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (( segid "   A" and resid 62   and name  HN  ))
      5.507     1.377     1.377

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))
      3.245     0.811     0.811

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 56   and name  HA  ))
      5.519     1.380     1.380

 assi 
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB1 ))
      4.259     1.065     1.065

 assi 
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 15   and name  HA  ))
      2.930     0.733     0.733

 assi 
   (  segid "   A" and resid 63   and name  HG1#)
   (( segid "   A" and resid 64   and name  HN  ))
      3.682     0.921     0.921
 or   
   (  segid "   A" and resid 63   and name  HG2#)
   (( segid "   A" and resid 64   and name  HN  ))

 assi 
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.439     0.860     0.860

 assi 
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 15   and name  HB1 ))
      3.709     0.927     0.927

 assi 
   (( segid "   A" and resid 65   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG1#)
      3.776     0.944     0.944

 assi 
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HA  ))
      3.595     0.899     0.899

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 58   and name  HN  ))
      4.437     1.109     1.109

 assi 
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 24   and name  HN  ))
      2.735     0.684     0.684

 assi 
   (( segid "   A" and resid 49   and name  HE22))
   (( segid "   A" and resid 45   and name  HN  ))
      4.544     1.136     1.136

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 58   and name  HA  ))
      3.644     0.911     0.911

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 66   and name  HN  ))
      4.756     1.189     1.189

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 64   and name  HN  ))
      4.652     1.163     1.163

 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG1#)
      5.610     1.402     1.402

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))
      3.952     0.988     0.988

 assi 
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB1 ))
      4.497     1.124     1.124
 or   
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 67   and name  HB1 ))

 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      4.602     1.150     1.150

 assi 
   (  segid "   A" and resid 63   and name  HG2#)
   (( segid "   A" and resid 43   and name  HN  ))
      4.226     1.057     1.057
 or   
   (  segid "   A" and resid 63   and name  HG1#)
   (( segid "   A" and resid 43   and name  HN  ))

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 57   and name  HA2 ))
      3.224     0.806     0.806
 or   
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 57   and name  HA1 ))

 assi 
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 5    and name  HB  ))
      3.903     0.976     0.976

 assi 
   (( segid "   A" and resid 40   and name  HB1 ))
   (( segid "   A" and resid 42   and name  HN  ))
      3.826     0.957     0.957

 assi 
   (  segid "   A" and resid 24   and name  HD1#)
   (( segid "   A" and resid 24   and name  HN  ))
      3.952     0.988     0.988

 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 40   and name  HB1 ))
      3.312     0.828     0.828

 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB2 ))
      4.569     1.142     1.142

 assi 
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 24   and name  HA  ))
      3.242     0.811     0.811

 assi 
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB1 ))
      5.075     1.269     1.269

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB1 ))
      4.159     1.040     1.040

 assi 
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 31   and name  HA  ))
      2.714     0.679     0.679

 assi 
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 53   and name  HA  ))
      3.359     0.840     0.840

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 57   and name  HN  ))
      5.081     1.270     1.270

 assi 
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 16   and name  HA  ))
      2.734     0.684     0.684

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))
      5.869     1.467     1.467

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 52   and name  HA  ))
      2.980     0.745     0.745

 assi 
   (( segid "   A" and resid 24   and name  HB1 ))
   (( segid "   A" and resid 24   and name  HN  ))
      2.742     0.686     0.686
 or   
   (( segid "   A" and resid 24   and name  HB2 ))
   (( segid "   A" and resid 24   and name  HN  ))

 assi 
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 18   and name  HB1 ))
      3.077     0.769     0.769

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 4    and name  HB2 ))
      4.364     1.091     1.091

 assi 
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 46   and name  HA  ))
      4.409     1.102     1.102

 assi 
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 18   and name  HD1 ))
      4.267     1.067     1.067
 or   
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 18   and name  HD2 ))

 assi 
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 51   and name  HG2 ))
      4.666     1.166     1.166
 or   
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 51   and name  HG1 ))

 assi 
   (( segid "   A" and resid 44   and name  HB1 ))
   (( segid "   A" and resid 58   and name  HN  ))
      5.352     1.338     1.338

 assi 
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      2.757     0.689     0.689

 assi 
   (( segid "   A" and resid 49   and name  HG1 ))
   (( segid "   A" and resid 49   and name  HE22))
      3.500     0.875     0.875

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB1 ))
      3.659     0.915     0.915

 assi 
   (( segid "   A" and resid 49   and name  HG2 ))
   (( segid "   A" and resid 49   and name  HE21))
      3.711     0.928     0.928

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))
      4.168     1.042     1.042

 assi 
   (( segid "   A" and resid 32   and name  HA  ))
   (( segid "   A" and resid 33   and name  HN  ))
      2.999     0.750     0.750

 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      4.012     1.003     1.003

 assi 
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 52   and name  HA  ))
      3.793     0.948     0.948

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (  segid "   A" and resid 5    and name  HG2#)
      3.874     0.969     0.969
 or   
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 5    and name  HG11))

 assi 
   (( segid "   A" and resid 44   and name  HB1 ))
   (( segid "   A" and resid 44   and name  HN  ))
      4.043     1.011     1.011

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA2 ))
      4.881     1.220     1.220

 assi 
   (  segid "   A" and resid 63   and name  HG2#)
   (( segid "   A" and resid 41   and name  HN  ))
      4.715     1.179     1.179
 or   
   (  segid "   A" and resid 63   and name  HG1#)
   (( segid "   A" and resid 41   and name  HN  ))

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 51   and name  HG2 ))
      4.366     1.092     1.092

 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB2 ))
      4.569     1.142     1.142

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 57   and name  HN  ))
      4.969     1.242     1.242

 assi 
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 11   and name  HA  ))
      4.056     1.014     1.014

 assi 
   (( segid "   A" and resid 30   and name  HA2 ))
   (( segid "   A" and resid 31   and name  HN  ))
      2.967     0.742     0.742

 assi 
   (( segid "   A" and resid 40   and name  HB1 ))
   (( segid "   A" and resid 66   and name  HN  ))
      4.485     1.121     1.121

 assi 
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HB2 ))
      3.045     0.761     0.761

 assi 
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      4.591     1.148     1.148

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.966     0.992     0.992

 assi 
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HG2 ))
      4.652     1.163     1.163
 or   
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HG1 ))

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 48   and name  HN  ))
      4.150     1.037     1.037

 assi 
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      2.967     0.742     0.742

 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 49   and name  HG1 ))
      5.455     1.364     1.364

 assi 
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 68   and name  HN  ))
      5.022     1.255     1.255

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 31   and name  HA  ))
      4.685     1.171     1.171

 assi 
   (( segid "   A" and resid 24   and name  HB2 ))
   (( segid "   A" and resid 26   and name  HN  ))
      4.478     1.120     1.120
 or   
   (( segid "   A" and resid 24   and name  HB1 ))
   (( segid "   A" and resid 26   and name  HN  ))

 assi 
   (( segid "   A" and resid 15   and name  HG1 ))
   (( segid "   A" and resid 17   and name  HN  ))
      4.395     1.099     1.099

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (  segid "   A" and resid 52   and name  HB# )
      4.123     1.031     1.031

 assi 
   (( segid "   A" and resid 4    and name  HB1 ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.714     0.929     0.929

 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (  segid "   A" and resid 65   and name  HG1#)
      5.610     1.402     1.402

 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 65   and name  HA  ))
      5.394     1.348     1.348

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB2 ))
      4.542     1.135     1.135

 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (( segid "   A" and resid 61   and name  HN  ))
      3.170     0.793     0.793

 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 50   and name  HB1 ))
      4.104     1.026     1.026

 assi 
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB1 ))
      3.870     0.967     0.967

 assi 
   (( segid "   A" and resid 18   and name  HN  ))
   (  segid "   A" and resid 17   and name  HD1#)
      3.938     0.984     0.984

 assi 
   (( segid "   A" and resid 40   and name  HB1 ))
   (( segid "   A" and resid 64   and name  HN  ))
      5.072     1.268     1.268

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HN  ))
      4.541     1.135     1.135

 assi 
   (( segid "   A" and resid 44   and name  HB1 ))
   (( segid "   A" and resid 50   and name  HN  ))
      4.347     1.087     1.087

 assi 
   (( segid "   A" and resid 49   and name  HG2 ))
   (( segid "   A" and resid 49   and name  HE22))
      3.501     0.875     0.875

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 25   and name  HB2 ))
      3.084     0.771     0.771

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB2 ))
      3.592     0.898     0.898

 assi 
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB1 ))
      3.119     0.780     0.780
 or   
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB2 ))

 assi 
   (( segid "   A" and resid 64   and name  HN  ))
   (( segid "   A" and resid 64   and name  HB1 ))
      3.545     0.886     0.886

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 48   and name  HN  ))
      4.591     1.148     1.148
 or   
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 40   and name  HN  ))

 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (( segid "   A" and resid 61   and name  HN  ))
      4.238     1.060     1.060

 assi 
   (( segid "   A" and resid 58   and name  HB1 ))
   (( segid "   A" and resid 51   and name  HN  ))
      4.500     1.125     1.125

 assi 
   (( segid "   A" and resid 11   and name  HN  ))
   (  segid "   A" and resid 11   and name  HG2#)
      3.211     0.803     0.803

 assi 
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 46   and name  HB1 ))
      3.674     0.919     0.919

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 58   and name  HN  ))
      4.554     1.139     1.139

 assi 
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      4.692     1.173     1.173

 assi 
   (( segid "   A" and resid 41   and name  HA2 ))
   (( segid "   A" and resid 64   and name  HN  ))
      4.892     1.223     1.223

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      2.722     0.681     0.681

 assi 
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 50   and name  HN  ))
      4.163     1.041     1.041

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 24   and name  HA  ))
      2.826     0.706     0.706

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 64   and name  HB2 ))
      3.644     0.911     0.911

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.017     0.754     0.754

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (  segid "   A" and resid 43   and name  HB# )
      3.106     0.776     0.776

 assi 
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 24   and name  HN  ))
      4.662     1.166     1.166

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB1 ))
      3.206     0.802     0.802

 assi 
   (( segid "   A" and resid 50   and name  HB1 ))
   (( segid "   A" and resid 51   and name  HN  ))
      3.260     0.815     0.815

 assi 
   (( segid "   A" and resid 50   and name  HB1 ))
   (( segid "   A" and resid 53   and name  HN  ))
      4.778     1.195     1.195

 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 62   and name  HA1 ))
      4.261     1.065     1.065

 assi 
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 48   and name  HA  ))
      3.242     0.810     0.810

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (  segid "   A" and resid 52   and name  HB# )
      2.542     0.636     0.636

 assi 
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.317     0.829     0.829

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 50   and name  HB1 ))
      4.442     1.110     1.110

 assi 
   (( segid "   A" and resid 66   and name  HN  ))
   (( segid "   A" and resid 65   and name  HN  ))
      4.217     1.054     1.054

 assi 
   (( segid "   A" and resid 49   and name  HG2 ))
   (( segid "   A" and resid 50   and name  HN  ))
      3.289     0.822     0.822

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 50   and name  HB2 ))
      3.935     0.984     0.984

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (  segid "   A" and resid 24   and name  HD1#)
      3.983     0.996     0.996

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB2 ))
      3.825     0.956     0.956

 assi 
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 4    and name  HA  ))
      5.214     1.304     1.304

 assi 
   (( segid "   A" and resid 23   and name  HB1 ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.477     0.869     0.869

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 53   and name  HA  ))
      5.049     1.262     1.262

 assi 
   (( segid "   A" and resid 49   and name  HG2 ))
   (( segid "   A" and resid 51   and name  HN  ))
      4.778     1.195     1.195

 assi 
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 47   and name  HB1 ))
      3.351     0.838     0.838

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 61   and name  HN  ))
      5.157     1.289     1.289

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 56   and name  HB2 ))
      3.329     0.832     0.832

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 49   and name  HA  ))
      3.775     0.944     0.944

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 58   and name  HB1 ))
      4.017     1.004     1.004

 assi 
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 53   and name  HN  ))
      5.178     1.295     1.295

 assi 
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.082     0.771     0.771

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 50   and name  HB1 ))
      2.807     0.702     0.702

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 56   and name  HB1 ))
      3.531     0.883     0.883

 assi 
   (( segid "   A" and resid 27   and name  HB2 ))
   (( segid "   A" and resid 28   and name  HN  ))
      2.866     0.717     0.717
 or   
   (( segid "   A" and resid 27   and name  HB1 ))
   (( segid "   A" and resid 28   and name  HN  ))

 assi 
   (( segid "   A" and resid 63   and name  HB  ))
   (( segid "   A" and resid 44   and name  HN  ))
      4.329     1.082     1.082

 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB2 ))
      5.308     1.327     1.327

 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.033     0.758     0.758

 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 48   and name  HN  ))
      4.101     1.025     1.025

 assi 
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 51   and name  HN  ))
      4.251     1.063     1.063

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 49   and name  HN  ))
      3.954     0.988     0.988

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 12   and name  HA  ))
      2.932     0.733     0.733

 assi 
   (( segid "   A" and resid 44   and name  HB1 ))
   (( segid "   A" and resid 44   and name  HN  ))
      4.160     1.040     1.040

 assi 
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 48   and name  HN  ))
      2.912     0.728     0.728

 assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 57   and name  HN  ))
      3.367     0.842     0.842

 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (  segid "   A" and resid 11   and name  HG2#)
      3.653     0.913     0.913

 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 47   and name  HN  ))
      4.553     1.138     1.138

 assi 
   (( segid "   A" and resid 55   and name  HA  ))
   (( segid "   A" and resid 55   and name  HN  ))
      3.598     0.899     0.899

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))
      4.896     1.224     1.224

 assi 
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 28   and name  HA  ))
      2.604     0.651     0.651

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 12   and name  HG2 ))
      3.422     0.855     0.855

 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 58   and name  HB2 ))
      4.685     1.171     1.171

 assi 
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 9    and name  HA  ))
      3.953     0.988     0.988

 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      3.236     0.809     0.809

 assi 
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB1 ))
      5.505     1.376     1.376

 assi 
   (( segid "   A" and resid 66   and name  HN  ))
   (( segid "   A" and resid 65   and name  HA  ))
      2.753     0.688     0.688

 assi 
   (( segid "   A" and resid 64   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      4.285     1.071     1.071

 assi 
   (( segid "   A" and resid 41   and name  HA1 ))
   (( segid "   A" and resid 42   and name  HN  ))
      3.964     0.991     0.991

 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.404     0.851     0.851

# Restraints file 2: 24_2.tbl
 assi 
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 46   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 47   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 47   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 48   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 63   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 64   and name  HN  ))
   (( segid "   A" and resid 42   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 65   and name  HN  ))
   (( segid "   A" and resid 57   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 65   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 59   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 62   and name  O   ))
      2.200     0.470     0.500

# Restraints file 3: 21_1.tbl
 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -76.32 43.68 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 -19.25 50.75 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -63.15 26.85 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 -37.03 32.97 2

 ASSIGN  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -64.31 25.69 2

 ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00 -30.97 39.03 2

 ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00 -73.80 26.20 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 -33.91 36.09 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -66.76 33.24 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00 -22.77 37.23 2

 ASSIGN  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -81.08 48.92 2

 ASSIGN  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 -15.20 44.80 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -81.09 48.91 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 -14.40 45.60 2

 ASSIGN  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00 -103.35 26.65 2

 ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )
         (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )  1.00  12.29 52.29 2

 ASSIGN  (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )
         (segid "   A" and resid 21   and name CA  ) (segid "   A" and resid 21   and name C   )  1.00 -76.97 33.03 2

 ASSIGN  (segid "   A" and resid 21   and name N   ) (segid "   A" and resid 21   and name CA  )
         (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )  1.00 -32.42 37.58 2

 ASSIGN  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
         (segid "   A" and resid 22   and name CA  ) (segid "   A" and resid 22   and name C   )  1.00 -65.88 34.12 2

 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )
         (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )  1.00 -24.23 35.77 2

 ASSIGN  (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )
         (segid "   A" and resid 27   and name CA  ) (segid "   A" and resid 27   and name C   )  1.00 -58.12 31.88 2

 ASSIGN  (segid "   A" and resid 27   and name N   ) (segid "   A" and resid 27   and name CA  )
         (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )  1.00 -34.78 35.22 2

 ASSIGN  (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )
         (segid "   A" and resid 28   and name CA  ) (segid "   A" and resid 28   and name C   )  1.00 -55.88 34.12 2

 ASSIGN  (segid "   A" and resid 28   and name N   ) (segid "   A" and resid 28   and name CA  )
         (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )  1.00 -45.44 24.56 2

 ASSIGN  (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )
         (segid "   A" and resid 30   and name CA  ) (segid "   A" and resid 30   and name C   )  1.00 -64.66 25.34 2

 ASSIGN  (segid "   A" and resid 30   and name N   ) (segid "   A" and resid 30   and name CA  )
         (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )  1.00 -33.26 36.74 2

 ASSIGN  (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )
         (segid "   A" and resid 31   and name CA  ) (segid "   A" and resid 31   and name C   )  1.00 -71.79 38.21 2

 ASSIGN  (segid "   A" and resid 31   and name N   ) (segid "   A" and resid 31   and name CA  )
         (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )  1.00 -18.48 41.52 2

 ASSIGN  (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )
         (segid "   A" and resid 32   and name CA  ) (segid "   A" and resid 32   and name C   )  1.00 -74.87 95.13 2

 ASSIGN  (segid "   A" and resid 32   and name N   ) (segid "   A" and resid 32   and name CA  )
         (segid "   A" and resid 32   and name C   ) (segid "   A" and resid 33   and name N   )  1.00 138.43 38.43 2

 ASSIGN  (segid "   A" and resid 35   and name C   ) (segid "   A" and resid 36   and name N   )
         (segid "   A" and resid 36   and name CA  ) (segid "   A" and resid 36   and name C   )  1.00 -94.59 85.41 2

 ASSIGN  (segid "   A" and resid 36   and name N   ) (segid "   A" and resid 36   and name CA  )
         (segid "   A" and resid 36   and name C   ) (segid "   A" and resid 37   and name N   )  1.00 142.60 52.60 2

 ASSIGN  (segid "   A" and resid 41   and name C   ) (segid "   A" and resid 42   and name N   )
         (segid "   A" and resid 42   and name CA  ) (segid "   A" and resid 42   and name C   )  1.00 -126.02 53.98 2

 ASSIGN  (segid "   A" and resid 42   and name N   ) (segid "   A" and resid 42   and name CA  )
         (segid "   A" and resid 42   and name C   ) (segid "   A" and resid 43   and name N   )  1.00 152.38 42.38 2

 ASSIGN  (segid "   A" and resid 42   and name C   ) (segid "   A" and resid 43   and name N   )
         (segid "   A" and resid 43   and name CA  ) (segid "   A" and resid 43   and name C   )  1.00 -95.36 64.64 2

 ASSIGN  (segid "   A" and resid 43   and name N   ) (segid "   A" and resid 43   and name CA  )
         (segid "   A" and resid 43   and name C   ) (segid "   A" and resid 44   and name N   )  1.00 127.29 27.29 2

 ASSIGN  (segid "   A" and resid 43   and name C   ) (segid "   A" and resid 44   and name N   )
         (segid "   A" and resid 44   and name CA  ) (segid "   A" and resid 44   and name C   )  1.00 -134.97 25.03 2

 ASSIGN  (segid "   A" and resid 44   and name N   ) (segid "   A" and resid 44   and name CA  )
         (segid "   A" and resid 44   and name C   ) (segid "   A" and resid 45   and name N   )  1.00 160.91 30.91 2

 ASSIGN  (segid "   A" and resid 44   and name C   ) (segid "   A" and resid 45   and name N   )
         (segid "   A" and resid 45   and name CA  ) (segid "   A" and resid 45   and name C   )  1.00 -133.41 46.59 2

 ASSIGN  (segid "   A" and resid 45   and name C   ) (segid "   A" and resid 46   and name N   )
         (segid "   A" and resid 46   and name CA  ) (segid "   A" and resid 46   and name C   )  1.00 -84.99 25.01 2

 ASSIGN  (segid "   A" and resid 46   and name N   ) (segid "   A" and resid 46   and name CA  )
         (segid "   A" and resid 46   and name C   ) (segid "   A" and resid 47   and name N   )  1.00 165.00 15.00 2

 ASSIGN  (segid "   A" and resid 46   and name C   ) (segid "   A" and resid 47   and name N   )
         (segid "   A" and resid 47   and name CA  ) (segid "   A" and resid 47   and name C   )  1.00 -55.47 24.53 2

 ASSIGN  (segid "   A" and resid 47   and name N   ) (segid "   A" and resid 47   and name CA  )
         (segid "   A" and resid 47   and name C   ) (segid "   A" and resid 48   and name N   )  1.00 -43.40 26.60 2

 ASSIGN  (segid "   A" and resid 47   and name C   ) (segid "   A" and resid 48   and name N   )
         (segid "   A" and resid 48   and name CA  ) (segid "   A" and resid 48   and name C   )  1.00 -63.18 16.82 2

 ASSIGN  (segid "   A" and resid 48   and name N   ) (segid "   A" and resid 48   and name CA  )
         (segid "   A" and resid 48   and name C   ) (segid "   A" and resid 49   and name N   )  1.00 -44.93 25.07 2

 ASSIGN  (segid "   A" and resid 48   and name C   ) (segid "   A" and resid 49   and name N   )
         (segid "   A" and resid 49   and name CA  ) (segid "   A" and resid 49   and name C   )  1.00 -65.00 25.00 2

 ASSIGN  (segid "   A" and resid 49   and name N   ) (segid "   A" and resid 49   and name CA  )
         (segid "   A" and resid 49   and name C   ) (segid "   A" and resid 50   and name N   )  1.00 -44.37 25.63 2

 ASSIGN  (segid "   A" and resid 49   and name C   ) (segid "   A" and resid 50   and name N   )
         (segid "   A" and resid 50   and name CA  ) (segid "   A" and resid 50   and name C   )  1.00 -72.19 17.81 2

 ASSIGN  (segid "   A" and resid 50   and name N   ) (segid "   A" and resid 50   and name CA  )
         (segid "   A" and resid 50   and name C   ) (segid "   A" and resid 51   and name N   )  1.00 -35.58 34.42 2

 ASSIGN  (segid "   A" and resid 50   and name C   ) (segid "   A" and resid 51   and name N   )
         (segid "   A" and resid 51   and name CA  ) (segid "   A" and resid 51   and name C   )  1.00 -63.07 26.93 2

 ASSIGN  (segid "   A" and resid 51   and name N   ) (segid "   A" and resid 51   and name CA  )
         (segid "   A" and resid 51   and name C   ) (segid "   A" and resid 52   and name N   )  1.00 -38.53 31.47 2

 ASSIGN  (segid "   A" and resid 51   and name C   ) (segid "   A" and resid 52   and name N   )
         (segid "   A" and resid 52   and name CA  ) (segid "   A" and resid 52   and name C   )  1.00 -64.97 15.03 2

 ASSIGN  (segid "   A" and resid 52   and name N   ) (segid "   A" and resid 52   and name CA  )
         (segid "   A" and resid 52   and name C   ) (segid "   A" and resid 53   and name N   )  1.00 -23.52 26.48 2

 ASSIGN  (segid "   A" and resid 52   and name C   ) (segid "   A" and resid 53   and name N   )
         (segid "   A" and resid 53   and name CA  ) (segid "   A" and resid 53   and name C   )  1.00 -87.35 32.65 2

 ASSIGN  (segid "   A" and resid 53   and name N   ) (segid "   A" and resid 53   and name CA  )
         (segid "   A" and resid 53   and name C   ) (segid "   A" and resid 54   and name N   )  1.00  -0.33 29.67 2

 ASSIGN  (segid "   A" and resid 57   and name C   ) (segid "   A" and resid 58   and name N   )
         (segid "   A" and resid 58   and name CA  ) (segid "   A" and resid 58   and name C   )  1.00 -93.75 46.25 2

 ASSIGN  (segid "   A" and resid 58   and name N   ) (segid "   A" and resid 58   and name CA  )
         (segid "   A" and resid 58   and name C   ) (segid "   A" and resid 59   and name N   )  1.00 127.87 37.87 2

 ASSIGN  (segid "   A" and resid 58   and name C   ) (segid "   A" and resid 59   and name N   )
         (segid "   A" and resid 59   and name CA  ) (segid "   A" and resid 59   and name C   )  1.00 -72.54 37.46 2

 ASSIGN  (segid "   A" and resid 59   and name N   ) (segid "   A" and resid 59   and name CA  )
         (segid "   A" and resid 59   and name C   ) (segid "   A" and resid 60   and name N   )  1.00 152.81 32.81 2

 ASSIGN  (segid "   A" and resid 59   and name C   ) (segid "   A" and resid 60   and name N   )
         (segid "   A" and resid 60   and name CA  ) (segid "   A" and resid 60   and name C   )  1.00 -65.00 25.00 2

 ASSIGN  (segid "   A" and resid 60   and name N   ) (segid "   A" and resid 60   and name CA  )
         (segid "   A" and resid 60   and name C   ) (segid "   A" and resid 61   and name N   )  1.00 -17.75 22.25 2

 ASSIGN  (segid "   A" and resid 60   and name C   ) (segid "   A" and resid 61   and name N   )
         (segid "   A" and resid 61   and name CA  ) (segid "   A" and resid 61   and name C   )  1.00 -86.94 33.06 2

 ASSIGN  (segid "   A" and resid 61   and name N   ) (segid "   A" and resid 61   and name CA  )
         (segid "   A" and resid 61   and name C   ) (segid "   A" and resid 62   and name N   )  1.00   1.08 31.08 2

 ASSIGN  (segid "   A" and resid 61   and name C   ) (segid "   A" and resid 62   and name N   )
         (segid "   A" and resid 62   and name CA  ) (segid "   A" and resid 62   and name C   )  1.00  74.66 34.66 2

 ASSIGN  (segid "   A" and resid 62   and name N   ) (segid "   A" and resid 62   and name CA  )
         (segid "   A" and resid 62   and name C   ) (segid "   A" and resid 63   and name N   )  1.00  20.15 40.15 2

 ASSIGN  (segid "   A" and resid 62   and name C   ) (segid "   A" and resid 63   and name N   )
         (segid "   A" and resid 63   and name CA  ) (segid "   A" and resid 63   and name C   )  1.00 -135.24 24.76 2

 ASSIGN  (segid "   A" and resid 63   and name N   ) (segid "   A" and resid 63   and name CA  )
         (segid "   A" and resid 63   and name C   ) (segid "   A" and resid 64   and name N   )  1.00 156.18 26.18 2

 ASSIGN  (segid "   A" and resid 63   and name C   ) (segid "   A" and resid 64   and name N   )
         (segid "   A" and resid 64   and name CA  ) (segid "   A" and resid 64   and name C   )  1.00 -133.35 26.65 2

 ASSIGN  (segid "   A" and resid 64   and name N   ) (segid "   A" and resid 64   and name CA  )
         (segid "   A" and resid 64   and name C   ) (segid "   A" and resid 65   and name N   )  1.00 144.89 34.89 2

 ASSIGN  (segid "   A" and resid 64   and name C   ) (segid "   A" and resid 65   and name N   )
         (segid "   A" and resid 65   and name CA  ) (segid "   A" and resid 65   and name C   )  1.00 -135.27 24.73 2

 ASSIGN  (segid "   A" and resid 65   and name N   ) (segid "   A" and resid 65   and name CA  )
         (segid "   A" and resid 65   and name C   ) (segid "   A" and resid 66   and name N   )  1.00 154.33 34.33 2

 ASSIGN  (segid "   A" and resid 65   and name C   ) (segid "   A" and resid 66   and name N   )
         (segid "   A" and resid 66   and name CA  ) (segid "   A" and resid 66   and name C   )  1.00 -116.73 43.27 2

 ASSIGN  (segid "   A" and resid 66   and name N   ) (segid "   A" and resid 66   and name CA  )
         (segid "   A" and resid 66   and name C   ) (segid "   A" and resid 67   and name N   )  1.00 125.21 35.21 2

 ASSIGN  (segid "   A" and resid 66   and name C   ) (segid "   A" and resid 67   and name N   )
         (segid "   A" and resid 67   and name CA  ) (segid "   A" and resid 67   and name C   )  1.00 -72.81 27.19 2

 ASSIGN  (segid "   A" and resid 67   and name N   ) (segid "   A" and resid 67   and name CA  )
         (segid "   A" and resid 67   and name C   ) (segid "   A" and resid 68   and name N   )  1.00 145.07 35.07 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1          1HT       MET   1 -14.707  11.493   8.539
    2    H2   MET   1          2HT       MET   1 -15.154   9.977   9.137
    3    H3   MET   1          3HT       MET   1 -15.179  11.326  10.155
    4    HA   MET   1           HA       MET   1 -17.402  10.707   9.471
    5    HB2  MET   1          3HB       MET   1 -16.372  13.300   8.304
    6    HB3  MET   1          2HB       MET   1 -18.073  12.919   8.513
    7    HG2  MET   1          3HG       MET   1 -17.731  12.747  10.930
    8    HG3  MET   1          2HG       MET   1 -16.031  13.158  10.709
    9    HE1  MET   1          1HE       MET   1 -17.533  16.382  12.367
   10    HE2  MET   1          2HE       MET   1 -16.293  15.133  12.481
   11    HE3  MET   1          3HE       MET   1 -17.992  14.710  12.689
   12    H    CYS   2           HN       CYS   2 -18.912  10.347   7.835
   13    HA   CYS   2           HA       CYS   2 -18.219  10.590   5.067
   14    HB2  CYS   2          3HB       CYS   2 -17.037   8.488   5.676
   15    HB3  CYS   2          2HB       CYS   2 -18.567   7.806   6.206
   16    HG   CYS   2           HG       CYS   2 -17.280   8.015   3.155
   17    H    GLU   3           HN       GLU   3 -20.088  11.823   5.047
   18    HA   GLU   3           HA       GLU   3 -22.606  10.336   5.409
   19    HB2  GLU   3          3HB       GLU   3 -22.235  11.986   7.201
   20    HB3  GLU   3          2HB       GLU   3 -22.070  13.254   5.998
   21    HG2  GLU   3          3HG       GLU   3 -24.404  12.834   5.296
   22    HG3  GLU   3          2HG       GLU   3 -24.545  11.656   6.602
   23    H    PHE   4           HN       PHE   4 -20.645  12.268   3.366
   24    HA   PHE   4           HA       PHE   4 -22.636  12.281   1.256
   25    HB2  PHE   4          3HB       PHE   4 -22.471  14.795   0.961
   26    HB3  PHE   4          2HB       PHE   4 -23.435  14.246   2.325
   27    HD1  PHE   4          1HD       PHE   4 -20.248  15.810   1.334
   28    HD2  PHE   4          2HD       PHE   4 -22.821  14.777   4.561
   29    HE1  PHE   4          1HE       PHE   4 -18.941  17.255   2.834
   30    HE2  PHE   4          2HE       PHE   4 -21.516  16.218   6.066
   31    HZ   PHE   4           HZ       PHE   4 -19.574  17.460   5.203
   32    H    ILE   5           HN       ILE   5 -20.348  10.972   1.205
   33    HA   ILE   5           HA       ILE   5 -18.694  12.489  -0.634
   34    HB   ILE   5           HB       ILE   5 -16.533  11.697   0.463
   35   HG12  ILE   5          3HG1      ILE   5 -18.290  11.679   2.940
   36   HG13  ILE   5          2HG1      ILE   5 -17.514  10.262   2.233
   37   HG21  ILE   5          1HG2      ILE   5 -17.177  14.005   0.217
   38   HG22  ILE   5          2HG2      ILE   5 -16.392  13.747   1.776
   39   HG23  ILE   5          3HG2      ILE   5 -18.145  13.919   1.688
   40   HD11  ILE   5          1HD1      ILE   5 -16.114  12.656   3.388
   41   HD12  ILE   5          2HD1      ILE   5 -15.333  11.241   2.683
   42   HD13  ILE   5          3HD1      ILE   5 -16.292  11.078   4.154
   43    H    GLU   6           HN       GLU   6 -18.147   9.392   1.039
   44    HA   GLU   6           HA       GLU   6 -17.704   8.053  -1.442
   45    HB2  GLU   6          3HB       GLU   6 -18.232   7.016   1.345
   46    HB3  GLU   6          2HB       GLU   6 -18.075   5.940  -0.031
   47    HG2  GLU   6          3HG       GLU   6 -15.983   6.039   1.106
   48    HG3  GLU   6          2HG       GLU   6 -15.817   6.854  -0.446
   49    H    ASP   7           HN       ASP   7 -20.388   9.296  -0.067
   50    HA   ASP   7           HA       ASP   7 -22.303   7.315  -1.014
   51    HB2  ASP   7          3HB       ASP   7 -23.024   9.958   0.217
   52    HB3  ASP   7          2HB       ASP   7 -23.885   8.427   0.304
   53    H    SER   8           HN       SER   8 -20.558   9.482  -2.548
   54    HA   SER   8           HA       SER   8 -22.326  11.336  -3.690
   55    HB2  SER   8          3HB       SER   8 -20.516  11.574  -5.432
   56    HB3  SER   8          2HB       SER   8 -19.976  11.752  -3.762
   57    HG   SER   8           HG       SER   8 -19.834   9.313  -5.209
   58    H    GLU   9           HN       GLU   9 -22.383   8.040  -4.155
   59    HA   GLU   9           HA       GLU   9 -22.905   7.966  -6.966
   60    HB2  GLU   9          3HB       GLU   9 -22.086   5.990  -5.706
   61    HB3  GLU   9          2HB       GLU   9 -23.620   5.929  -4.847
   62    HG2  GLU   9          3HG       GLU   9 -24.777   5.585  -6.992
   63    HG3  GLU   9          2HG       GLU   9 -23.215   5.564  -7.806
   64    H    ASP  10           HN       ASP  10 -24.871   8.175  -4.041
   65    HA   ASP  10           HA       ASP  10 -27.275   8.227  -5.719
   66    HB2  ASP  10          3HB       ASP  10 -27.250   6.652  -3.789
   67    HB3  ASP  10          2HB       ASP  10 -27.117   8.036  -2.706
   68    H    ILE  11           HN       ILE  11 -26.738  10.331  -6.494
   69    HA   ILE  11           HA       ILE  11 -26.783  12.599  -4.740
   70    HB   ILE  11           HB       ILE  11 -27.380  12.657  -7.698
   71   HG12  ILE  11          3HG1      ILE  11 -24.631  12.681  -6.431
   72   HG13  ILE  11          2HG1      ILE  11 -25.338  11.272  -7.214
   73   HG21  ILE  11          1HG2      ILE  11 -26.310  14.857  -7.572
   74   HG22  ILE  11          2HG2      ILE  11 -26.036  14.625  -5.847
   75   HG23  ILE  11          3HG2      ILE  11 -27.682  14.745  -6.469
   76   HD11  ILE  11          1HD1      ILE  11 -23.781  12.443  -8.675
   77   HD12  ILE  11          2HD1      ILE  11 -24.757  13.905  -8.548
   78   HD13  ILE  11          3HD1      ILE  11 -25.419  12.469  -9.325
   79    H    GLN  12           HN       GLN  12 -29.063  10.437  -5.656
   80    HA   GLN  12           HA       GLN  12 -31.302  12.117  -6.163
   81    HB2  GLN  12          3HB       GLN  12 -31.051   9.188  -5.485
   82    HB3  GLN  12          2HB       GLN  12 -32.598   9.974  -5.754
   83    HG2  GLN  12          3HG       GLN  12 -32.160  10.348  -7.995
   84    HG3  GLN  12          2HG       GLN  12 -30.421  10.169  -7.788
   85   HE21  GLN  12          1HE2      GLN  12 -30.655   7.757  -6.184
   86   HE22  GLN  12          2HE2      GLN  12 -31.096   6.499  -7.280
   87    H    GLY  13           HN       GLY  13 -30.161  10.312  -3.294
   88    HA2  GLY  13          2HA       GLY  13 -32.129  11.701  -1.653
   89    HA3  GLY  13          1HA       GLY  13 -31.053  10.418  -1.130
   90    H    LEU  14           HN       LEU  14 -28.660  11.792  -2.269
   91    HA   LEU  14           HA       LEU  14 -28.395  13.777  -0.128
   92    HB2  LEU  14          3HB       LEU  14 -26.355  11.837  -1.208
   93    HB3  LEU  14          2HB       LEU  14 -25.996  13.110  -0.059
   94    HG   LEU  14           HG       LEU  14 -27.919  10.841   0.457
   95   HD11  LEU  14          1HD1      LEU  14 -25.077  11.231   1.380
   96   HD12  LEU  14          2HD1      LEU  14 -25.640  10.020   0.229
   97   HD13  LEU  14          3HD1      LEU  14 -26.169   9.953   1.909
   98   HD21  LEU  14          1HD2      LEU  14 -28.430  12.847   1.738
   99   HD22  LEU  14          2HD2      LEU  14 -26.755  12.946   2.280
  100   HD23  LEU  14          3HD2      LEU  14 -27.767  11.595   2.786
  101    H    LYS  15           HN       LYS  15 -28.694  15.620  -1.272
  102    HA   LYS  15           HA       LYS  15 -26.943  16.094  -3.578
  103    HB2  LYS  15          3HB       LYS  15 -29.324  17.638  -2.540
  104    HB3  LYS  15          2HB       LYS  15 -28.282  18.216  -3.831
  105    HG2  LYS  15          3HG       LYS  15 -28.848  16.335  -5.208
  106    HG3  LYS  15          2HG       LYS  15 -29.789  15.618  -3.900
  107    HD2  LYS  15          3HD       LYS  15 -31.360  17.458  -3.981
  108    HD3  LYS  15          2HD       LYS  15 -30.388  18.263  -5.216
  109    HE2  LYS  15          3HE       LYS  15 -32.383  17.023  -6.089
  110    HE3  LYS  15          2HE       LYS  15 -30.844  16.550  -6.804
  111    HZ1  LYS  15          1HZ       LYS  15 -32.210  15.092  -4.607
  112    HZ2  LYS  15          2HZ       LYS  15 -30.786  14.619  -5.391
  113    HZ3  LYS  15          3HZ       LYS  15 -32.249  14.646  -6.238
  114    H    SER  16           HN       SER  16 -26.209  15.969  -0.692
  115    HA   SER  16           HA       SER  16 -25.296  18.583   0.015
  116    HB2  SER  16          3HB       SER  16 -24.291  15.919   1.035
  117    HB3  SER  16          2HB       SER  16 -24.164  17.482   1.839
  118    HG   SER  16           HG       SER  16 -25.922  16.736   2.777
  119    H    LEU  17           HN       LEU  17 -24.447  16.548  -2.384
  120    HA   LEU  17           HA       LEU  17 -21.594  16.801  -2.370
  121    HB2  LEU  17          3HB       LEU  17 -22.990  14.993  -3.496
  122    HB3  LEU  17          2HB       LEU  17 -23.386  16.184  -4.718
  123    HG   LEU  17           HG       LEU  17 -20.935  16.393  -5.208
  124   HD11  LEU  17          1HD1      LEU  17 -20.769  13.979  -3.406
  125   HD12  LEU  17          2HD1      LEU  17 -20.062  15.565  -3.097
  126   HD13  LEU  17          3HD1      LEU  17 -19.471  14.583  -4.436
  127   HD21  LEU  17          1HD2      LEU  17 -20.823  14.311  -6.478
  128   HD22  LEU  17          2HD2      LEU  17 -22.423  15.043  -6.592
  129   HD23  LEU  17          3HD2      LEU  17 -22.162  13.658  -5.534
  130    H    ARG  18           HN       ARG  18 -24.039  18.948  -2.837
  131    HA   ARG  18           HA       ARG  18 -23.306  20.489  -5.044
  132    HB2  ARG  18          3HB       ARG  18 -25.429  20.740  -3.859
  133    HB3  ARG  18          2HB       ARG  18 -24.584  21.336  -2.443
  134    HG2  ARG  18          3HG       ARG  18 -25.516  23.214  -3.510
  135    HG3  ARG  18          2HG       ARG  18 -23.787  23.256  -3.859
  136    HD2  ARG  18          3HD       ARG  18 -25.684  21.949  -5.765
  137    HD3  ARG  18          2HD       ARG  18 -25.505  23.700  -5.757
  138    HE   ARG  18           HE       ARG  18 -22.972  22.976  -5.980
  139   HH11  ARG  18          1HH1      ARG  18 -25.788  21.653  -7.598
  140   HH12  ARG  18          2HH1      ARG  18 -24.936  21.312  -9.068
  141   HH21  ARG  18          1HH2      ARG  18 -21.859  22.540  -7.937
  142   HH22  ARG  18          2HH2      ARG  18 -22.709  21.808  -9.261
  143    H    LYS  19           HN       LYS  19 -22.241  20.626  -1.683
  144    HA   LYS  19           HA       LYS  19 -20.603  22.956  -2.164
  145    HB2  LYS  19          3HB       LYS  19 -20.993  21.204   0.249
  146    HB3  LYS  19          2HB       LYS  19 -19.732  22.426   0.197
  147    HG2  LYS  19          3HG       LYS  19 -21.562  24.094  -0.348
  148    HG3  LYS  19          2HG       LYS  19 -22.709  22.834   0.099
  149    HD2  LYS  19          3HD       LYS  19 -20.564  24.023   1.850
  150    HD3  LYS  19          2HD       LYS  19 -22.302  24.286   1.986
  151    HE2  LYS  19          3HE       LYS  19 -20.878  21.658   2.353
  152    HE3  LYS  19          2HE       LYS  19 -21.496  22.683   3.643
  153    HZ1  LYS  19          1HZ       LYS  19 -22.999  20.866   3.140
  154    HZ2  LYS  19          2HZ       LYS  19 -23.134  21.385   1.541
  155    HZ3  LYS  19          3HZ       LYS  19 -23.723  22.353   2.796
  156    H    SER  20           HN       SER  20 -20.246  19.595  -2.462
  157    HA   SER  20           HA       SER  20 -17.365  19.586  -2.318
  158    HB2  SER  20          3HB       SER  20 -19.137  17.499  -3.622
  159    HB3  SER  20          2HB       SER  20 -17.518  17.287  -2.958
  160    HG   SER  20           HG       SER  20 -19.213  16.518  -1.567
  161    H    HIS  21           HN       HIS  21 -19.918  19.766  -4.766
  162    HA   HIS  21           HA       HIS  21 -18.177  19.823  -6.984
  163    HB2  HIS  21          3HB       HIS  21 -21.064  20.275  -6.546
  164    HB3  HIS  21          2HB       HIS  21 -20.372  21.187  -7.885
  165    HD1  HIS  21          1HD       HIS  21 -21.690  17.929  -6.994
  166    HD2  HIS  21          2HD       HIS  21 -19.091  19.451  -9.853
  167    HE1  HIS  21          1HE       HIS  21 -21.530  16.161  -8.774
  168    HE2  HIS  21          2HE       HIS  21 -19.813  17.036 -10.406
  169    H    THR  22           HN       THR  22 -19.186  22.254  -4.684
  170    HA   THR  22           HA       THR  22 -18.697  24.625  -6.068
  171    HB   THR  22           HB       THR  22 -17.681  24.314  -3.236
  172    HG1  THR  22          1HG       THR  22 -20.304  24.129  -4.266
  173   HG21  THR  22          1HG2      THR  22 -19.103  26.542  -4.696
  174   HG22  THR  22          2HG2      THR  22 -17.371  26.469  -4.368
  175   HG23  THR  22          3HG2      THR  22 -18.516  26.590  -3.033
  176    H    SER  23           HN       SER  23 -16.088  22.551  -4.626
  177    HA   SER  23           HA       SER  23 -14.057  24.438  -5.198
  178    HB2  SER  23          3HB       SER  23 -13.770  21.467  -4.723
  179    HB3  SER  23          2HB       SER  23 -12.526  22.700  -4.515
  180    HG   SER  23           HG       SER  23 -13.640  22.006  -2.552
  181    H    LEU  24           HN       LEU  24 -15.857  22.511  -7.210
  182    HA   LEU  24           HA       LEU  24 -15.762  22.064  -9.455
  183    HB2  LEU  24          3HB       LEU  24 -14.907  24.407  -9.531
  184    HB3  LEU  24          2HB       LEU  24 -13.276  23.776  -9.447
  185    HG   LEU  24           HG       LEU  24 -13.659  22.597 -11.600
  186   HD11  LEU  24          1HD1      LEU  24 -16.260  24.119 -11.569
  187   HD12  LEU  24          2HD1      LEU  24 -16.063  22.367 -11.523
  188   HD13  LEU  24          3HD1      LEU  24 -15.594  23.269 -12.962
  189   HD21  LEU  24          1HD2      LEU  24 -13.529  24.592 -12.992
  190   HD22  LEU  24          2HD2      LEU  24 -12.566  24.780 -11.527
  191   HD23  LEU  24          3HD2      LEU  24 -14.136  25.573 -11.657
  192    H    GLU  25           HN       GLU  25 -14.026  20.639  -7.325
  193    HA   GLU  25           HA       GLU  25 -12.358  19.162  -9.247
  194    HB2  GLU  25          3HB       GLU  25 -11.928  19.529  -6.278
  195    HB3  GLU  25          2HB       GLU  25 -10.949  18.504  -7.316
  196    HG2  GLU  25          3HG       GLU  25 -10.428  20.566  -8.665
  197    HG3  GLU  25          2HG       GLU  25 -11.188  21.496  -7.374
  198    H    ASP  26           HN       ASP  26 -15.226  18.886  -8.316
  199    HA   ASP  26           HA       ASP  26 -15.186  16.358  -6.908
  200    HB2  ASP  26          3HB       ASP  26 -16.909  18.093  -6.414
  201    HB3  ASP  26          2HB       ASP  26 -17.550  17.852  -8.034
  202    H    ASP  27           HN       ASP  27 -15.686  17.626 -10.035
  203    HA   ASP  27           HA       ASP  27 -16.732  15.191 -11.141
  204    HB2  ASP  27          3HB       ASP  27 -15.823  17.724 -12.503
  205    HB3  ASP  27          2HB       ASP  27 -16.556  16.358 -13.337
  206    H    ASP  28           HN       ASP  28 -13.745  16.060 -10.197
  207    HA   ASP  28           HA       ASP  28 -12.172  14.710 -12.143
  208    HB2  ASP  28          3HB       ASP  28 -11.705  15.344  -9.229
  209    HB3  ASP  28          2HB       ASP  28 -10.539  14.433 -10.180
  210    H    ASP  29           HN       ASP  29 -14.101  13.839  -9.463
  211    HA   ASP  29           HA       ASP  29 -15.204  11.931  -8.949
  212    HB2  ASP  29          3HB       ASP  29 -15.186  11.621 -11.473
  213    HB3  ASP  29          2HB       ASP  29 -13.814  10.546 -11.234
  214    H    GLY  30           HN       GLY  30 -11.796  11.997  -9.230
  215    HA2  GLY  30          2HA       GLY  30 -11.007   9.506  -8.314
  216    HA3  GLY  30          1HA       GLY  30 -10.132  10.998  -8.012
  217    H    SER  31           HN       SER  31 -12.029  12.309  -6.405
  218    HA   SER  31           HA       SER  31 -11.589  10.827  -3.941
  219    HB2  SER  31          3HB       SER  31 -12.499  13.675  -4.407
  220    HB3  SER  31          2HB       SER  31 -12.150  12.964  -2.831
  221    HG   SER  31           HG       SER  31 -10.000  12.501  -3.740
  222    H    ARG  32           HN       ARG  32 -13.832  10.279  -5.949
  223    HA   ARG  32           HA       ARG  32 -16.070  10.561  -4.056
  224    HB2  ARG  32          3HB       ARG  32 -15.978  10.641  -7.048
  225    HB3  ARG  32          2HB       ARG  32 -17.455  10.167  -6.220
  226    HG2  ARG  32          3HG       ARG  32 -17.555  12.283  -5.080
  227    HG3  ARG  32          2HG       ARG  32 -15.994  12.757  -5.752
  228    HD2  ARG  32          3HD       ARG  32 -18.042  13.713  -6.887
  229    HD3  ARG  32          2HD       ARG  32 -16.868  12.917  -7.934
  230    HE   ARG  32           HE       ARG  32 -18.559  10.918  -7.455
  231   HH11  ARG  32          1HH1      ARG  32 -19.228  14.267  -8.234
  232   HH12  ARG  32          2HH1      ARG  32 -20.638  13.883  -9.183
  233   HH21  ARG  32          1HH2      ARG  32 -20.419  10.418  -8.680
  234   HH22  ARG  32          2HH2      ARG  32 -21.320  11.697  -9.426
  235    H    GLY  33           HN       GLY  33 -15.961   8.665  -2.948
  236    HA2  GLY  33          2HA       GLY  33 -16.922   6.508  -2.770
  237    HA3  GLY  33          1HA       GLY  33 -16.672   6.282  -4.495
  238    H    GLY  34           HN       GLY  34 -14.098   6.729  -4.923
  239    HA2  GLY  34          2HA       GLY  34 -12.702   4.916  -3.060
  240    HA3  GLY  34          1HA       GLY  34 -12.578   4.732  -4.802
  241    H    ASP  35           HN       ASP  35 -12.252   7.390  -2.441
  242    HA   ASP  35           HA       ASP  35 -10.182   8.686  -3.895
  243    HB2  ASP  35          3HB       ASP  35 -11.461   9.900  -2.138
  244    HB3  ASP  35          2HB       ASP  35 -10.683   8.918  -0.899
  245    H    CYS  36           HN       CYS  36 -10.185   5.943  -1.826
  246    HA   CYS  36           HA       CYS  36  -7.253   5.977  -1.777
  247    HB2  CYS  36          3HB       CYS  36  -7.625   4.125  -0.019
  248    HB3  CYS  36          2HB       CYS  36  -7.970   5.789   0.447
  249    HG   CYS  36           HG       CYS  36 -10.218   3.324  -0.286
  250    H    GLU  37           HN       GLU  37  -7.029   5.270  -3.868
  251    HA   GLU  37           HA       GLU  37  -6.931   2.438  -4.180
  252    HB2  GLU  37          3HB       GLU  37  -9.327   2.922  -4.792
  253    HB3  GLU  37          2HB       GLU  37  -8.740   3.970  -6.074
  254    HG2  GLU  37          3HG       GLU  37  -7.674   2.081  -7.165
  255    HG3  GLU  37          2HG       GLU  37  -8.190   1.017  -5.857
  256    H    GLY  38           HN       GLY  38  -4.840   3.696  -4.062
  257    HA2  GLY  38          2HA       GLY  38  -3.210   3.905  -6.075
  258    HA3  GLY  38          1HA       GLY  38  -4.232   5.291  -6.434
  259    H    CYS  39           HN       CYS  39  -2.892   3.897  -3.482
  260    HA   CYS  39           HA       CYS  39  -2.651   6.385  -2.164
  261    HB2  CYS  39          3HB       CYS  39  -1.313   3.746  -1.517
  262    HB3  CYS  39          2HB       CYS  39  -1.463   5.112  -0.424
  263    H    SER  40           HN       SER  40   0.089   4.208  -2.475
  264    HA   SER  40           HA       SER  40   2.251   4.446  -3.034
  265    HB2  SER  40          3HB       SER  40   1.230   5.297  -5.140
  266    HB3  SER  40          2HB       SER  40   1.486   6.932  -4.549
  267    HG   SER  40           HG       SER  40   3.725   6.462  -4.449
  268    H    GLY  41           HN       GLY  41   0.882   7.641  -2.408
  269    HA2  GLY  41          2HA       GLY  41   3.360   8.454  -1.056
  270    HA3  GLY  41          1HA       GLY  41   1.942   9.472  -1.246
  271    H    THR  42           HN       THR  42   1.380   6.295  -0.060
  272    HA   THR  42           HA       THR  42   1.146   7.412   2.663
  273    HB   THR  42           HB       THR  42  -0.233   4.904   1.727
  274    HG1  THR  42          1HG       THR  42  -1.439   7.477   1.717
  275   HG21  THR  42          1HG2      THR  42  -0.159   5.309   4.130
  276   HG22  THR  42          2HG2      THR  42  -1.806   5.497   3.525
  277   HG23  THR  42          3HG2      THR  42  -0.833   6.921   3.890
  278    H    ALA  43           HN       ALA  43   2.874   6.858   3.825
  279    HA   ALA  43           HA       ALA  43   4.447   4.519   3.127
  280    HB1  ALA  43          1HB       ALA  43   6.022   5.331   4.790
  281    HB2  ALA  43          2HB       ALA  43   4.862   6.541   5.335
  282    HB3  ALA  43          3HB       ALA  43   5.545   6.643   3.712
  283    H    CYS  44           HN       CYS  44   3.951   2.688   3.752
  284    HA   CYS  44           HA       CYS  44   2.753   2.176   6.381
  285    HB2  CYS  44          3HB       CYS  44   2.447  -0.110   5.304
  286    HB3  CYS  44          2HB       CYS  44   1.516   1.212   4.599
  287    H    SER  45           HN       SER  45   3.901   1.087   7.886
  288    HA   SER  45           HA       SER  45   6.403  -0.171   7.103
  289    HB2  SER  45          3HB       SER  45   6.301  -0.934   9.589
  290    HB3  SER  45          2HB       SER  45   6.574   0.778   9.262
  291    HG   SER  45           HG       SER  45   4.709   1.239  10.134
  292    H    SER  46           HN       SER  46   3.095  -0.960   7.975
  293    HA   SER  46           HA       SER  46   3.638  -3.745   7.220
  294    HB2  SER  46          3HB       SER  46   1.316  -2.763   8.886
  295    HB3  SER  46          2HB       SER  46   1.795  -4.435   8.605
  296    HG   SER  46           HG       SER  46   2.954  -4.222  10.336
  297    H    ASP  47           HN       ASP  47   2.374  -4.704   5.668
  298    HA   ASP  47           HA       ASP  47   1.033  -3.087   3.801
  299    HB2  ASP  47          3HB       ASP  47   0.468  -5.194   2.677
  300    HB3  ASP  47          2HB       ASP  47   2.161  -5.153   3.161
  301    H    ALA  48           HN       ALA  48  -0.170  -4.379   6.746
  302    HA   ALA  48           HA       ALA  48  -2.662  -5.178   5.929
  303    HB1  ALA  48          1HB       ALA  48  -1.693  -5.842   8.058
  304    HB2  ALA  48          2HB       ALA  48  -3.267  -5.087   8.296
  305    HB3  ALA  48          3HB       ALA  48  -1.795  -4.177   8.631
  306    H    GLN  49           HN       GLN  49  -1.344  -2.036   6.445
  307    HA   GLN  49           HA       GLN  49  -3.924  -0.810   6.824
  308    HB2  GLN  49          3HB       GLN  49  -2.752   1.244   7.169
  309    HB3  GLN  49          2HB       GLN  49  -1.931  -0.011   8.080
  310    HG2  GLN  49          3HG       GLN  49  -0.205  -0.146   6.383
  311    HG3  GLN  49          2HG       GLN  49  -1.040   1.068   5.416
  312   HE21  GLN  49          1HE2      GLN  49  -0.767   1.121   8.904
  313   HE22  GLN  49          2HE2      GLN  49   0.247   2.520   8.993
  314    H    CYS  50           HN       CYS  50  -1.571  -1.373   4.279
  315    HA   CYS  50           HA       CYS  50  -2.871   0.428   2.432
  316    HB2  CYS  50          3HB       CYS  50  -1.312  -1.970   1.537
  317    HB3  CYS  50          2HB       CYS  50  -1.477  -0.411   0.752
  318    H    ARG  51           HN       ARG  51  -3.015  -2.949   3.330
  319    HA   ARG  51           HA       ARG  51  -5.004  -3.827   1.596
  320    HB2  ARG  51          3HB       ARG  51  -4.556  -4.525   4.509
  321    HB3  ARG  51          2HB       ARG  51  -5.664  -5.379   3.457
  322    HG2  ARG  51          3HG       ARG  51  -2.674  -5.254   3.271
  323    HG3  ARG  51          2HG       ARG  51  -3.691  -6.664   3.574
  324    HD2  ARG  51          3HD       ARG  51  -3.646  -5.049   1.035
  325    HD3  ARG  51          2HD       ARG  51  -2.824  -6.589   1.275
  326    HE   ARG  51           HE       ARG  51  -5.518  -6.983   1.873
  327   HH11  ARG  51          1HH1      ARG  51  -3.541  -6.141  -0.886
  328   HH12  ARG  51          2HH1      ARG  51  -4.620  -6.859  -2.044
  329   HH21  ARG  51          1HH2      ARG  51  -6.953  -7.924   0.346
  330   HH22  ARG  51          2HH2      ARG  51  -6.561  -7.864  -1.345
  331    H    ALA  52           HN       ALA  52  -5.207  -2.172   4.700
  332    HA   ALA  52           HA       ALA  52  -8.043  -1.955   4.735
  333    HB1  ALA  52          1HB       ALA  52  -5.995  -0.313   6.220
  334    HB2  ALA  52          2HB       ALA  52  -6.688  -1.837   6.772
  335    HB3  ALA  52          3HB       ALA  52  -7.717  -0.418   6.591
  336    H    ARG  53           HN       ARG  53  -5.540  -0.195   3.159
  337    HA   ARG  53           HA       ARG  53  -7.144   2.151   2.712
  338    HB2  ARG  53          3HB       ARG  53  -4.531   1.299   1.503
  339    HB3  ARG  53          2HB       ARG  53  -5.371   2.771   1.037
  340    HG2  ARG  53          3HG       ARG  53  -4.402   2.142   3.814
  341    HG3  ARG  53          2HG       ARG  53  -3.584   3.187   2.650
  342    HD2  ARG  53          3HD       ARG  53  -5.607   4.629   2.605
  343    HD3  ARG  53          2HD       ARG  53  -6.310   3.622   3.870
  344    HE   ARG  53           HE       ARG  53  -3.755   4.572   4.649
  345   HH11  ARG  53          1HH1      ARG  53  -7.078   5.606   4.268
  346   HH12  ARG  53          2HH1      ARG  53  -6.960   6.859   5.463
  347   HH21  ARG  53          1HH2      ARG  53  -3.596   6.234   6.216
  348   HH22  ARG  53          2HH2      ARG  53  -4.985   7.211   6.571
  349    H    GLY  54           HN       GLY  54  -7.247  -0.909   1.487
  350    HA2  GLY  54          2HA       GLY  54  -8.297  -1.829  -0.342
  351    HA3  GLY  54          1HA       GLY  54  -8.974  -0.238  -0.672
  352    H    CYS  55           HN       CYS  55  -5.775   0.153  -0.356
  353    HA   CYS  55           HA       CYS  55  -5.350   0.504  -3.151
  354    HB2  CYS  55          3HB       CYS  55  -3.626   0.974  -0.760
  355    HB3  CYS  55          2HB       CYS  55  -2.872   0.871  -2.351
  356    H    ASP  56           HN       ASP  56  -3.031  -1.450  -1.213
  357    HA   ASP  56           HA       ASP  56  -3.853  -3.874  -2.376
  358    HB2  ASP  56          3HB       ASP  56  -3.053  -3.002  -4.491
  359    HB3  ASP  56          2HB       ASP  56  -1.518  -2.536  -3.770
  360    H    GLY  57           HN       GLY  57  -0.696  -2.267  -1.697
  361    HA2  GLY  57          2HA       GLY  57  -0.365  -3.833   0.675
  362    HA3  GLY  57          1HA       GLY  57   0.517  -4.529  -0.672
  363    H    CYS  58           HN       CYS  58   1.645  -3.649   1.658
  364    HA   CYS  58           HA       CYS  58   3.130  -1.252   1.095
  365    HB2  CYS  58          3HB       CYS  58   2.664  -2.539   3.382
  366    HB3  CYS  58          2HB       CYS  58   4.165  -3.350   2.947
  367    H    SER  59           HN       SER  59   5.151  -1.120   0.086
  368    HA   SER  59           HA       SER  59   5.958  -3.643  -1.197
  369    HB2  SER  59          3HB       SER  59   7.079  -2.229  -2.870
  370    HB3  SER  59          2HB       SER  59   5.370  -1.818  -2.735
  371    HG   SER  59           HG       SER  59   6.565   0.071  -2.744
  372    H    THR  60           HN       THR  60   8.437  -3.613  -1.759
  373    HA   THR  60           HA       THR  60  10.183  -3.673   0.321
  374    HB   THR  60           HB       THR  60  11.262  -2.176  -2.026
  375    HG1  THR  60          1HG       THR  60  10.887  -4.827  -2.602
  376   HG21  THR  60          1HG2      THR  60  12.737  -3.135  -0.335
  377   HG22  THR  60          2HG2      THR  60  12.967  -3.932  -1.891
  378   HG23  THR  60          3HG2      THR  60  12.048  -4.733  -0.616
  379    H    SER  61           HN       SER  61   8.820  -0.640  -0.918
  380    HA   SER  61           HA       SER  61  10.862   0.842   0.482
  381    HB2  SER  61          3HB       SER  61  10.542   1.400  -1.884
  382    HB3  SER  61          2HB       SER  61   8.861   1.808  -1.554
  383    HG   SER  61           HG       SER  61   9.709   3.427  -0.075
  384    H    GLY  62           HN       GLY  62   8.322  -0.433   1.673
  385    HA2  GLY  62          2HA       GLY  62   6.791   0.106   3.279
  386    HA3  GLY  62          1HA       GLY  62   7.892   1.411   3.694
  387    H    VAL  63           HN       VAL  63   6.302   1.112   0.596
  388    HA   VAL  63           HA       VAL  63   4.592   3.397   1.311
  389    HB   VAL  63           HB       VAL  63   4.600   4.104  -1.017
  390   HG11  VAL  63          1HG1      VAL  63   6.941   4.793  -1.234
  391   HG12  VAL  63          2HG1      VAL  63   7.385   3.646   0.028
  392   HG13  VAL  63          3HG1      VAL  63   6.329   5.007   0.405
  393   HG21  VAL  63          1HG2      VAL  63   4.829   1.892  -2.064
  394   HG22  VAL  63          2HG2      VAL  63   6.516   1.843  -1.558
  395   HG23  VAL  63          3HG2      VAL  63   5.978   3.060  -2.712
  396    H    CYS  64           HN       CYS  64   2.520   3.423   0.106
  397    HA   CYS  64           HA       CYS  64   1.465   0.660   0.223
  398    HB2  CYS  64          3HB       CYS  64   0.230   3.328   0.886
  399    HB3  CYS  64          2HB       CYS  64  -0.807   2.041   0.351
  400    H    VAL  65           HN       VAL  65   1.320  -0.196  -1.735
  401    HA   VAL  65           HA       VAL  65   0.220   1.335  -3.975
  402    HB   VAL  65           HB       VAL  65   2.171   0.881  -5.417
  403   HG11  VAL  65          1HG1      VAL  65   2.847   2.322  -2.888
  404   HG12  VAL  65          2HG1      VAL  65   2.116   3.003  -4.344
  405   HG13  VAL  65          3HG1      VAL  65   3.781   2.415  -4.381
  406   HG21  VAL  65          1HG2      VAL  65   3.495  -0.164  -2.916
  407   HG22  VAL  65          2HG2      VAL  65   4.273   0.065  -4.482
  408   HG23  VAL  65          3HG2      VAL  65   2.993  -1.134  -4.300
  409    H    LEU  66           HN       LEU  66   0.434  -0.304  -6.045
  410    HA   LEU  66           HA       LEU  66  -0.300  -2.953  -5.282
  411    HB2  LEU  66          3HB       LEU  66  -0.660  -1.738  -7.554
  412    HB3  LEU  66          2HB       LEU  66   0.980  -2.234  -7.912
  413    HG   LEU  66           HG       LEU  66  -1.207  -4.186  -7.194
  414   HD11  LEU  66          1HD1      LEU  66  -0.274  -3.314  -9.924
  415   HD12  LEU  66          2HD1      LEU  66  -1.848  -2.977  -9.206
  416   HD13  LEU  66          3HD1      LEU  66  -1.390  -4.637  -9.590
  417   HD21  LEU  66          1HD2      LEU  66   1.053  -5.039  -6.883
  418   HD22  LEU  66          2HD2      LEU  66   1.482  -4.545  -8.520
  419   HD23  LEU  66          3HD2      LEU  66   0.285  -5.814  -8.268
  420    H    SER  67           HN       SER  67   1.234  -3.493  -3.743
  421    HA   SER  67           HA       SER  67   3.970  -3.187  -3.762
  422    HB2  SER  67          3HB       SER  67   3.844  -5.400  -2.341
  423    HB3  SER  67          2HB       SER  67   3.140  -3.902  -1.737
  424    HG   SER  67           HG       SER  67   1.341  -5.209  -3.263
  425    H    SER  68           HN       SER  68   5.264  -3.826  -5.605
  426    HA   SER  68           HA       SER  68   4.974  -6.581  -6.522
  427    HB2  SER  68          3HB       SER  68   6.852  -4.422  -7.520
  428    HB3  SER  68          2HB       SER  68   6.445  -5.937  -8.329
  429    HG   SER  68           HG       SER  68   4.282  -4.354  -7.676
  430    H    LEU  69           HN       LEU  69   5.814  -7.795  -4.852
  431    HA   LEU  69           HA       LEU  69   8.075  -6.883  -3.352
  432    HB2  LEU  69          3HB       LEU  69   6.611  -9.519  -3.324
  433    HB3  LEU  69          2HB       LEU  69   7.919  -9.118  -2.231
  434    HG   LEU  69           HG       LEU  69   6.030  -8.722  -0.948
  435   HD11  LEU  69          1HD1      LEU  69   7.570  -6.783  -1.003
  436   HD12  LEU  69          2HD1      LEU  69   5.913  -6.366  -0.572
  437   HD13  LEU  69          3HD1      LEU  69   6.514  -6.027  -2.194
  438   HD21  LEU  69          1HD2      LEU  69   4.372  -9.005  -2.704
  439   HD22  LEU  69          2HD2      LEU  69   4.737  -7.396  -3.324
  440   HD23  LEU  69          3HD2      LEU  69   4.018  -7.582  -1.725
  441    H    HIS  70           HN       HIS  70  10.003  -6.864  -4.210
  442    HA   HIS  70           HA       HIS  70  10.886  -8.972  -6.008
  443    HB2  HIS  70          3HB       HIS  70  12.252  -6.464  -5.002
  444    HB3  HIS  70          2HB       HIS  70  13.010  -7.623  -6.087
  445    HD1  HIS  70          1HD       HIS  70  12.412  -7.490  -8.545
  446    HD2  HIS  70          2HD       HIS  70  10.142  -4.943  -6.174
  447    HE1  HIS  70          1HE       HIS  70  11.191  -5.987 -10.148
  448    HE2  HIS  70          2HE       HIS  70   9.938  -4.362  -8.686
  449    H    HIS  71           HN       HIS  71  10.955 -10.754  -4.673
  450    HA   HIS  71           HA       HIS  71  11.870 -12.276  -3.268
  451    HB2  HIS  71          3HB       HIS  71  14.120 -10.265  -3.075
  452    HB3  HIS  71          2HB       HIS  71  14.162 -11.863  -2.338
  453    HD1  HIS  71          1HD       HIS  71  14.857 -13.787  -3.805
  454    HD2  HIS  71          2HD       HIS  71  14.114 -10.310  -5.959
  455    HE1  HIS  71          1HE       HIS  71  15.639 -14.257  -6.144
  456    HE2  HIS  71          2HE       HIS  71  15.065 -12.192  -7.455
  457    H    HIS  72           HN       HIS  72   9.935 -11.525  -2.050
  458    HA   HIS  72           HA       HIS  72   8.932 -11.234  -0.026
  459    HB2  HIS  72          3HB       HIS  72  11.794 -11.474   0.902
  460    HB3  HIS  72          2HB       HIS  72  10.467 -11.231   2.027
  461    HD1  HIS  72          1HD       HIS  72  10.699 -13.500   3.161
  462    HD2  HIS  72          2HD       HIS  72  10.152 -13.756  -0.955
  463    HE1  HIS  72          1HE       HIS  72  10.263 -15.931   2.685
  464    HE2  HIS  72          2HE       HIS  72   9.929 -16.065   0.188
  465    H    HIS  73           HN       HIS  73   9.449  -9.733   2.174
  466    HA   HIS  73           HA       HIS  73  10.517  -7.163   1.338
  467    HB2  HIS  73          3HB       HIS  73   8.566  -5.928   2.273
  468    HB3  HIS  73          2HB       HIS  73   8.183  -6.845   0.828
  469    HD1  HIS  73          1HD       HIS  73   7.191  -6.363   4.330
  470    HD2  HIS  73          2HD       HIS  73   6.598  -9.210   1.348
  471    HE1  HIS  73          1HE       HIS  73   5.238  -7.757   5.090
  472    HE2  HIS  73          2HE       HIS  73   4.958  -9.529   3.324
  473    H    HIS  74           HN       HIS  74  11.947  -6.605   2.789
  474    HA   HIS  74           HA       HIS  74  12.036  -7.852   5.369
  475    HB2  HIS  74          3HB       HIS  74  13.727  -5.693   4.103
  476    HB3  HIS  74          2HB       HIS  74  14.019  -6.324   5.720
  477    HD1  HIS  74          1HD       HIS  74  14.341  -7.205   2.104
  478    HD2  HIS  74          2HD       HIS  74  15.081  -8.918   5.817
  479    HE1  HIS  74          1HE       HIS  74  15.717  -9.251   1.640
  480    HE2  HIS  74          2HE       HIS  74  16.011 -10.355   3.881
  481    H    HIS  75           HN       HIS  75  10.545  -5.104   4.101
  482    HA   HIS  75           HA       HIS  75  10.187  -3.844   6.695
  483    HB2  HIS  75          3HB       HIS  75   9.071  -3.205   3.954
  484    HB3  HIS  75          2HB       HIS  75   8.626  -2.322   5.410
  485    HD1  HIS  75          1HD       HIS  75  10.046  -0.358   5.961
  486    HD2  HIS  75          2HD       HIS  75  11.956  -2.997   3.387
  487    HE1  HIS  75          1HE       HIS  75  12.181   0.782   5.287
  488    HE2  HIS  75          2HE       HIS  75  13.258  -0.781   3.633
  Start of MODEL    2
    1    H1   MET   1          1HT       MET   1  -7.629  23.643  -6.758
    2    H2   MET   1          2HT       MET   1  -8.424  22.940  -5.446
    3    H3   MET   1          3HT       MET   1  -9.241  23.162  -6.910
    4    HA   MET   1           HA       MET   1  -6.940  21.361  -6.455
    5    HB2  MET   1          3HB       MET   1  -9.889  20.855  -6.830
    6    HB3  MET   1          2HB       MET   1  -8.675  19.604  -7.065
    7    HG2  MET   1          3HG       MET   1  -9.098  21.142  -4.516
    8    HG3  MET   1          2HG       MET   1  -9.728  19.531  -4.846
    9    HE1  MET   1          1HE       MET   1  -6.839  18.929  -2.231
   10    HE2  MET   1          2HE       MET   1  -8.547  18.668  -2.580
   11    HE3  MET   1          3HE       MET   1  -7.945  20.302  -2.309
   12    H    CYS   2           HN       CYS   2  -6.069  20.410  -8.234
   13    HA   CYS   2           HA       CYS   2  -7.303  20.821 -10.832
   14    HB2  CYS   2          3HB       CYS   2  -5.166  21.708 -11.783
   15    HB3  CYS   2          2HB       CYS   2  -5.962  22.812 -10.669
   16    HG   CYS   2           HG       CYS   2  -4.171  21.686  -8.540
   17    H    GLU   3           HN       GLU   3  -7.018  18.513  -9.318
   18    HA   GLU   3           HA       GLU   3  -4.709  17.041 -10.224
   19    HB2  GLU   3          3HB       GLU   3  -7.184  16.121  -8.748
   20    HB3  GLU   3          2HB       GLU   3  -5.769  15.130  -9.058
   21    HG2  GLU   3          3HG       GLU   3  -5.823  17.644  -7.409
   22    HG3  GLU   3          2HG       GLU   3  -5.797  15.997  -6.783
   23    H    PHE   4           HN       PHE   4  -5.000  17.235 -12.495
   24    HA   PHE   4           HA       PHE   4  -7.392  16.440 -13.830
   25    HB2  PHE   4          3HB       PHE   4  -5.979  16.478 -15.884
   26    HB3  PHE   4          2HB       PHE   4  -5.869  17.954 -14.936
   27    HD1  PHE   4          1HD       PHE   4  -3.818  18.534 -13.776
   28    HD2  PHE   4          2HD       PHE   4  -4.102  14.973 -16.089
   29    HE1  PHE   4          1HE       PHE   4  -1.367  18.321 -13.745
   30    HE2  PHE   4          2HE       PHE   4  -1.654  14.755 -16.058
   31    HZ   PHE   4           HZ       PHE   4  -0.281  16.429 -14.885
   32    H    ILE   5           HN       ILE   5  -4.852  14.727 -12.435
   33    HA   ILE   5           HA       ILE   5  -4.675  12.401 -13.922
   34    HB   ILE   5           HB       ILE   5  -3.244  12.894 -11.902
   35   HG12  ILE   5          3HG1      ILE   5  -4.574  10.193 -11.995
   36   HG13  ILE   5          2HG1      ILE   5  -3.275  10.719 -13.063
   37   HG21  ILE   5          1HG2      ILE   5  -4.094  11.859  -9.743
   38   HG22  ILE   5          2HG2      ILE   5  -5.709  11.957 -10.433
   39   HG23  ILE   5          3HG2      ILE   5  -4.777  13.425 -10.144
   40   HD11  ILE   5          1HD1      ILE   5  -1.763  10.880 -11.183
   41   HD12  ILE   5          2HD1      ILE   5  -2.480   9.272 -11.261
   42   HD13  ILE   5          3HD1      ILE   5  -3.062  10.439 -10.075
   43    H    GLU   6           HN       GLU   6  -7.360  13.478 -12.050
   44    HA   GLU   6           HA       GLU   6  -8.930  11.281 -12.807
   45    HB2  GLU   6          3HB       GLU   6  -7.406  10.277 -11.015
   46    HB3  GLU   6          2HB       GLU   6  -8.296  11.263  -9.865
   47    HG2  GLU   6          3HG       GLU   6  -9.233   9.091  -9.818
   48    HG3  GLU   6          2HG       GLU   6 -10.384  10.144 -10.642
   49    H    ASP   7           HN       ASP   7  -8.394  14.105 -11.031
   50    HA   ASP   7           HA       ASP   7 -11.155  14.295 -10.086
   51    HB2  ASP   7          3HB       ASP   7  -9.186  14.820  -8.603
   52    HB3  ASP   7          2HB       ASP   7  -8.871  16.216  -9.628
   53    H    SER   8           HN       SER   8  -9.857  14.813 -12.948
   54    HA   SER   8           HA       SER   8 -10.370  17.551 -13.482
   55    HB2  SER   8          3HB       SER   8  -8.919  15.935 -14.863
   56    HB3  SER   8          2HB       SER   8 -10.430  15.372 -15.570
   57    HG   SER   8           HG       SER   8  -9.771  18.118 -15.514
   58    H    GLU   9           HN       GLU   9 -12.318  14.649 -13.559
   59    HA   GLU   9           HA       GLU   9 -14.485  15.757 -15.025
   60    HB2  GLU   9          3HB       GLU   9 -15.748  13.790 -14.252
   61    HB3  GLU   9          2HB       GLU   9 -14.179  13.360 -14.917
   62    HG2  GLU   9          3HG       GLU   9 -13.281  13.096 -12.678
   63    HG3  GLU   9          2HG       GLU   9 -14.831  13.574 -11.987
   64    H    ASP  10           HN       ASP  10 -13.525  15.952 -11.703
   65    HA   ASP  10           HA       ASP  10 -16.087  16.810 -10.711
   66    HB2  ASP  10          3HB       ASP  10 -14.298  15.834  -9.241
   67    HB3  ASP  10          2HB       ASP  10 -13.352  17.295  -9.499
   68    H    ILE  11           HN       ILE  11 -13.053  18.379 -11.618
   69    HA   ILE  11           HA       ILE  11 -13.903  21.038 -11.247
   70    HB   ILE  11           HB       ILE  11 -11.819  20.016 -13.182
   71   HG12  ILE  11          3HG1      ILE  11 -11.351  19.265 -10.902
   72   HG13  ILE  11          2HG1      ILE  11 -10.200  20.504 -11.386
   73   HG21  ILE  11          1HG2      ILE  11 -12.501  22.303 -13.652
   74   HG22  ILE  11          2HG2      ILE  11 -10.860  22.258 -13.008
   75   HG23  ILE  11          3HG2      ILE  11 -12.201  22.750 -11.974
   76   HD11  ILE  11          1HD1      ILE  11 -10.902  20.830  -9.097
   77   HD12  ILE  11          2HD1      ILE  11 -12.591  20.899  -9.601
   78   HD13  ILE  11          3HD1      ILE  11 -11.468  22.163 -10.105
   79    H    GLN  12           HN       GLN  12 -14.053  18.865 -14.025
   80    HA   GLN  12           HA       GLN  12 -15.196  20.822 -15.789
   81    HB2  GLN  12          3HB       GLN  12 -15.052  17.807 -15.941
   82    HB3  GLN  12          2HB       GLN  12 -15.753  18.807 -17.203
   83    HG2  GLN  12          3HG       GLN  12 -13.631  19.892 -17.580
   84    HG3  GLN  12          2HG       GLN  12 -12.891  18.973 -16.262
   85   HE21  GLN  12          1HE2      GLN  12 -11.393  17.780 -17.408
   86   HE22  GLN  12          2HE2      GLN  12 -11.823  16.657 -18.651
   87    H    GLY  13           HN       GLY  13 -16.351  18.932 -13.237
   88    HA2  GLY  13          2HA       GLY  13 -19.098  18.798 -14.112
   89    HA3  GLY  13          1HA       GLY  13 -18.477  18.347 -12.530
   90    H    LEU  14           HN       LEU  14 -17.190  20.758 -11.870
   91    HA   LEU  14           HA       LEU  14 -17.622  22.693 -10.762
   92    HB2  LEU  14          3HB       LEU  14 -19.453  23.110 -13.123
   93    HB3  LEU  14          2HB       LEU  14 -19.040  24.355 -11.964
   94    HG   LEU  14           HG       LEU  14 -17.029  22.942 -13.715
   95   HD11  LEU  14          1HD1      LEU  14 -18.562  24.264 -15.069
   96   HD12  LEU  14          2HD1      LEU  14 -16.972  25.024 -15.001
   97   HD13  LEU  14          3HD1      LEU  14 -18.296  25.661 -14.027
   98   HD21  LEU  14          1HD2      LEU  14 -16.811  25.382 -11.954
   99   HD22  LEU  14          2HD2      LEU  14 -15.548  24.769 -13.019
  100   HD23  LEU  14          3HD2      LEU  14 -16.086  23.806 -11.645
  101    H    LYS  15           HN       LYS  15 -18.732  20.962  -9.325
  102    HA   LYS  15           HA       LYS  15 -21.551  20.847  -9.171
  103    HB2  LYS  15          3HB       LYS  15 -19.553  20.417  -6.946
  104    HB3  LYS  15          2HB       LYS  15 -21.204  19.815  -7.002
  105    HG2  LYS  15          3HG       LYS  15 -20.696  18.296  -8.732
  106    HG3  LYS  15          2HG       LYS  15 -19.135  19.065  -9.036
  107    HD2  LYS  15          3HD       LYS  15 -18.342  18.349  -6.846
  108    HD3  LYS  15          2HD       LYS  15 -19.910  17.619  -6.503
  109    HE2  LYS  15          3HE       LYS  15 -19.611  16.019  -8.270
  110    HE3  LYS  15          2HE       LYS  15 -18.128  16.814  -8.794
  111    HZ1  LYS  15          1HZ       LYS  15 -17.017  16.147  -6.845
  112    HZ2  LYS  15          2HZ       LYS  15 -17.823  14.770  -7.413
  113    HZ3  LYS  15          3HZ       LYS  15 -18.448  15.627  -6.095
  114    H    SER  16           HN       SER  16 -19.191  23.058  -7.913
  115    HA   SER  16           HA       SER  16 -20.863  24.360  -6.026
  116    HB2  SER  16          3HB       SER  16 -19.083  26.216  -6.364
  117    HB3  SER  16          2HB       SER  16 -18.561  24.669  -5.695
  118    HG   SER  16           HG       SER  16 -17.190  24.702  -7.290
  119    H    LEU  17           HN       LEU  17 -20.600  24.455  -9.436
  120    HA   LEU  17           HA       LEU  17 -22.058  26.991  -9.614
  121    HB2  LEU  17          3HB       LEU  17 -20.117  26.688 -11.092
  122    HB3  LEU  17          2HB       LEU  17 -20.859  25.254 -11.770
  123    HG   LEU  17           HG       LEU  17 -22.704  26.670 -12.649
  124   HD11  LEU  17          1HD1      LEU  17 -22.556  28.513 -11.073
  125   HD12  LEU  17          2HD1      LEU  17 -22.387  29.096 -12.728
  126   HD13  LEU  17          3HD1      LEU  17 -20.963  28.940 -11.698
  127   HD21  LEU  17          1HD2      LEU  17 -19.920  27.440 -13.513
  128   HD22  LEU  17          2HD2      LEU  17 -21.391  27.675 -14.456
  129   HD23  LEU  17          3HD2      LEU  17 -20.840  26.043 -14.075
  130    H    ARG  18           HN       ARG  18 -22.303  23.600 -10.182
  131    HA   ARG  18           HA       ARG  18 -25.089  23.876 -11.066
  132    HB2  ARG  18          3HB       ARG  18 -23.125  21.591 -11.320
  133    HB3  ARG  18          2HB       ARG  18 -24.817  21.486 -11.792
  134    HG2  ARG  18          3HG       ARG  18 -24.526  23.132 -13.488
  135    HG3  ARG  18          2HG       ARG  18 -22.904  23.516 -12.915
  136    HD2  ARG  18          3HD       ARG  18 -22.105  21.345 -13.589
  137    HD3  ARG  18          2HD       ARG  18 -23.738  20.842 -14.029
  138    HE   ARG  18           HE       ARG  18 -23.651  22.579 -15.779
  139   HH11  ARG  18          1HH1      ARG  18 -20.631  21.359 -14.480
  140   HH12  ARG  18          2HH1      ARG  18 -19.718  21.780 -15.900
  141   HH21  ARG  18          1HH2      ARG  18 -22.445  23.121 -17.629
  142   HH22  ARG  18          2HH2      ARG  18 -20.747  22.776 -17.682
  143    H    LYS  19           HN       LYS  19 -26.055  24.178  -9.085
  144    HA   LYS  19           HA       LYS  19 -25.339  22.618  -6.785
  145    HB2  LYS  19          3HB       LYS  19 -27.473  24.695  -7.253
  146    HB3  LYS  19          2HB       LYS  19 -27.293  23.851  -5.724
  147    HG2  LYS  19          3HG       LYS  19 -26.185  25.894  -5.441
  148    HG3  LYS  19          2HG       LYS  19 -24.907  24.706  -5.686
  149    HD2  LYS  19          3HD       LYS  19 -24.365  26.658  -6.959
  150    HD3  LYS  19          2HD       LYS  19 -24.835  25.387  -8.088
  151    HE2  LYS  19          3HE       LYS  19 -27.067  26.371  -8.272
  152    HE3  LYS  19          2HE       LYS  19 -26.609  27.631  -7.128
  153    HZ1  LYS  19          1HZ       LYS  19 -26.481  28.362  -9.450
  154    HZ2  LYS  19          2HZ       LYS  19 -25.310  27.180  -9.760
  155    HZ3  LYS  19          3HZ       LYS  19 -24.977  28.437  -8.676
  156    H    SER  20           HN       SER  20 -26.719  21.434  -9.263
  157    HA   SER  20           HA       SER  20 -28.834  19.981  -7.802
  158    HB2  SER  20          3HB       SER  20 -29.530  20.869 -10.001
  159    HB3  SER  20          2HB       SER  20 -28.218  19.992 -10.785
  160    HG   SER  20           HG       SER  20 -30.106  18.620  -9.208
  161    H    HIS  21           HN       HIS  21 -25.574  19.802  -8.886
  162    HA   HIS  21           HA       HIS  21 -25.577  16.871  -8.640
  163    HB2  HIS  21          3HB       HIS  21 -23.574  18.779  -9.854
  164    HB3  HIS  21          2HB       HIS  21 -23.217  17.081  -9.561
  165    HD1  HIS  21          1HD       HIS  21 -22.939  17.702 -12.365
  166    HD2  HIS  21          2HD       HIS  21 -26.691  16.910 -10.755
  167    HE1  HIS  21          1HE       HIS  21 -24.385  17.043 -14.311
  168    HE2  HIS  21          2HE       HIS  21 -26.676  16.686 -13.332
  169    H    THR  22           HN       THR  22 -25.356  19.401  -6.673
  170    HA   THR  22           HA       THR  22 -22.919  19.031  -5.251
  171    HB   THR  22           HB       THR  22 -24.589  19.985  -3.335
  172    HG1  THR  22          1HG       THR  22 -26.458  19.986  -4.498
  173   HG21  THR  22          1HG2      THR  22 -22.567  21.090  -4.139
  174   HG22  THR  22          2HG2      THR  22 -23.912  22.229  -4.091
  175   HG23  THR  22          3HG2      THR  22 -23.388  21.550  -5.631
  176    H    SER  23           HN       SER  23 -24.872  16.500  -5.597
  177    HA   SER  23           HA       SER  23 -24.907  15.719  -2.788
  178    HB2  SER  23          3HB       SER  23 -26.147  13.686  -3.843
  179    HB3  SER  23          2HB       SER  23 -26.991  15.233  -3.746
  180    HG   SER  23           HG       SER  23 -27.261  14.892  -5.812
  181    H    LEU  24           HN       LEU  24 -22.972  15.578  -5.477
  182    HA   LEU  24           HA       LEU  24 -21.856  12.948  -5.054
  183    HB2  LEU  24          3HB       LEU  24 -20.936  15.249  -6.780
  184    HB3  LEU  24          2HB       LEU  24 -20.224  13.647  -6.784
  185    HG   LEU  24           HG       LEU  24 -23.088  14.229  -7.537
  186   HD11  LEU  24          1HD1      LEU  24 -22.356  13.863  -9.844
  187   HD12  LEU  24          2HD1      LEU  24 -20.683  13.750  -9.292
  188   HD13  LEU  24          3HD1      LEU  24 -21.568  15.268  -9.124
  189   HD21  LEU  24          1HD2      LEU  24 -23.012  11.954  -8.465
  190   HD22  LEU  24          2HD2      LEU  24 -22.747  11.968  -6.721
  191   HD23  LEU  24          3HD2      LEU  24 -21.383  11.756  -7.820
  192    H    GLU  25           HN       GLU  25 -21.572  13.652  -2.716
  193    HA   GLU  25           HA       GLU  25 -18.787  14.445  -2.360
  194    HB2  GLU  25          3HB       GLU  25 -20.187  16.472  -1.997
  195    HB3  GLU  25          2HB       GLU  25 -21.061  15.613  -0.739
  196    HG2  GLU  25          3HG       GLU  25 -19.036  15.437   0.584
  197    HG3  GLU  25          2HG       GLU  25 -18.118  16.232  -0.695
  198    H    ASP  26           HN       ASP  26 -18.005  12.608  -1.588
  199    HA   ASP  26           HA       ASP  26 -19.324  11.344   0.714
  200    HB2  ASP  26          3HB       ASP  26 -18.578  10.020  -1.889
  201    HB3  ASP  26          2HB       ASP  26 -18.643   9.092  -0.400
  202    H    ASP  27           HN       ASP  27 -17.673   9.423   1.435
  203    HA   ASP  27           HA       ASP  27 -15.200  10.711   1.993
  204    HB2  ASP  27          3HB       ASP  27 -14.637   8.824   3.290
  205    HB3  ASP  27          2HB       ASP  27 -16.382   8.973   3.447
  206    H    ASP  28           HN       ASP  28 -16.350   9.002  -0.586
  207    HA   ASP  28           HA       ASP  28 -14.089   7.617  -1.504
  208    HB2  ASP  28          3HB       ASP  28 -16.449   8.736  -3.008
  209    HB3  ASP  28          2HB       ASP  28 -15.204   7.748  -3.764
  210    H    ASP  29           HN       ASP  29 -15.059  10.924  -1.818
  211    HA   ASP  29           HA       ASP  29 -12.834  11.444  -3.643
  212    HB2  ASP  29          3HB       ASP  29 -13.786  13.678  -3.959
  213    HB3  ASP  29          2HB       ASP  29 -14.972  12.428  -4.295
  214    H    GLY  30           HN       GLY  30 -12.931  10.995  -0.548
  215    HA2  GLY  30          2HA       GLY  30 -11.673  13.333   0.519
  216    HA3  GLY  30          1HA       GLY  30 -11.666  11.727   1.240
  217    H    SER  31           HN       SER  31 -10.605  10.554  -1.238
  218    HA   SER  31           HA       SER  31  -7.792  11.176  -0.834
  219    HB2  SER  31          3HB       SER  31  -8.687   8.800  -0.897
  220    HB3  SER  31          2HB       SER  31  -9.004   9.043  -2.613
  221    HG   SER  31           HG       SER  31  -6.441   9.652  -1.688
  222    H    ARG  32           HN       ARG  32  -9.667  12.995  -2.156
  223    HA   ARG  32           HA       ARG  32  -9.852  13.109  -4.833
  224    HB2  ARG  32          3HB       ARG  32 -10.705  14.807  -3.226
  225    HB3  ARG  32          2HB       ARG  32  -9.081  15.481  -3.128
  226    HG2  ARG  32          3HG       ARG  32  -9.131  16.076  -5.452
  227    HG3  ARG  32          2HG       ARG  32 -10.685  15.270  -5.664
  228    HD2  ARG  32          3HD       ARG  32 -11.643  16.873  -4.000
  229    HD3  ARG  32          2HD       ARG  32 -10.107  17.735  -4.032
  230    HE   ARG  32           HE       ARG  32 -10.741  17.634  -6.640
  231   HH11  ARG  32          1HH1      ARG  32 -12.631  18.633  -3.848
  232   HH12  ARG  32          2HH1      ARG  32 -13.621  19.713  -4.773
  233   HH21  ARG  32          1HH2      ARG  32 -12.046  19.010  -7.825
  234   HH22  ARG  32          2HH2      ARG  32 -13.311  19.911  -7.044
  235    H    GLY  33           HN       GLY  33  -8.308  12.508  -6.238
  236    HA2  GLY  33          2HA       GLY  33  -6.441  13.842  -7.422
  237    HA3  GLY  33          1HA       GLY  33  -5.591  13.561  -5.909
  238    H    GLY  34           HN       GLY  34  -7.769  11.143  -7.074
  239    HA2  GLY  34          2HA       GLY  34  -7.433   9.124  -8.132
  240    HA3  GLY  34          1HA       GLY  34  -5.810   9.648  -8.555
  241    H    ASP  35           HN       ASP  35  -4.382   9.897  -6.470
  242    HA   ASP  35           HA       ASP  35  -4.827   7.581  -4.712
  243    HB2  ASP  35          3HB       ASP  35  -2.255   8.227  -6.177
  244    HB3  ASP  35          2HB       ASP  35  -2.399   7.029  -4.901
  245    H    CYS  36           HN       CYS  36  -5.111  10.494  -4.352
  246    HA   CYS  36           HA       CYS  36  -2.758  11.426  -2.976
  247    HB2  CYS  36          3HB       CYS  36  -4.269  13.016  -4.162
  248    HB3  CYS  36          2HB       CYS  36  -5.520  12.682  -2.962
  249    HG   CYS  36           HG       CYS  36  -2.557  14.311  -2.503
  250    H    GLU  37           HN       GLU  37  -2.192  10.796  -1.060
  251    HA   GLU  37           HA       GLU  37  -2.186  10.022   1.073
  252    HB2  GLU  37          3HB       GLU  37  -3.443  12.128   1.515
  253    HB3  GLU  37          2HB       GLU  37  -4.947  11.256   1.255
  254    HG2  GLU  37          3HG       GLU  37  -4.392  11.564   3.638
  255    HG3  GLU  37          2HG       GLU  37  -4.547   9.873   3.172
  256    H    GLY  38           HN       GLY  38  -2.464   8.142  -0.554
  257    HA2  GLY  38          2HA       GLY  38  -4.473   6.358   0.492
  258    HA3  GLY  38          1HA       GLY  38  -4.646   6.814  -1.202
  259    H    CYS  39           HN       CYS  39  -2.484   6.697  -2.410
  260    HA   CYS  39           HA       CYS  39  -1.199   4.178  -1.783
  261    HB2  CYS  39          3HB       CYS  39  -2.151   4.924  -4.554
  262    HB3  CYS  39          2HB       CYS  39  -1.419   3.409  -4.060
  263    H    SER  40           HN       SER  40   0.908   4.306  -1.984
  264    HA   SER  40           HA       SER  40   2.932   4.606  -2.984
  265    HB2  SER  40          3HB       SER  40   1.353   5.246  -5.008
  266    HB3  SER  40          2HB       SER  40   1.997   6.859  -4.690
  267    HG   SER  40           HG       SER  40   3.174   4.820  -5.958
  268    H    GLY  41           HN       GLY  41   1.369   7.811  -2.948
  269    HA2  GLY  41          2HA       GLY  41   3.576   9.082  -1.618
  270    HA3  GLY  41          1HA       GLY  41   1.948   9.737  -1.663
  271    H    THR  42           HN       THR  42   1.233   6.935  -0.361
  272    HA   THR  42           HA       THR  42   1.595   7.959   2.353
  273    HB   THR  42           HB       THR  42  -0.309   5.861   1.291
  274    HG1  THR  42          1HG       THR  42  -1.240   8.212   2.454
  275   HG21  THR  42          1HG2      THR  42  -0.105   7.063   4.056
  276   HG22  THR  42          2HG2      THR  42   0.320   5.410   3.618
  277   HG23  THR  42          3HG2      THR  42  -1.356   5.951   3.503
  278    H    ALA  43           HN       ALA  43   2.668   6.857   3.882
  279    HA   ALA  43           HA       ALA  43   4.168   4.493   2.976
  280    HB1  ALA  43          1HB       ALA  43   4.736   6.395   5.257
  281    HB2  ALA  43          2HB       ALA  43   5.487   6.449   3.663
  282    HB3  ALA  43          3HB       ALA  43   5.767   5.067   4.722
  283    H    CYS  44           HN       CYS  44   3.684   2.643   3.701
  284    HA   CYS  44           HA       CYS  44   2.519   2.327   6.382
  285    HB2  CYS  44          3HB       CYS  44   1.363   0.320   5.441
  286    HB3  CYS  44          2HB       CYS  44   0.774   1.866   4.836
  287    H    SER  45           HN       SER  45   3.717   1.184   7.690
  288    HA   SER  45           HA       SER  45   6.031  -0.212   6.651
  289    HB2  SER  45          3HB       SER  45   6.375  -0.655   9.182
  290    HB3  SER  45          2HB       SER  45   6.529   1.009   8.613
  291    HG   SER  45           HG       SER  45   4.711   1.544   9.609
  292    H    SER  46           HN       SER  46   2.845  -0.843   7.737
  293    HA   SER  46           HA       SER  46   3.389  -3.719   7.507
  294    HB2  SER  46          3HB       SER  46   1.056  -2.359   8.877
  295    HB3  SER  46          2HB       SER  46   1.383  -4.091   8.848
  296    HG   SER  46           HG       SER  46   3.422  -3.544   9.907
  297    H    ASP  47           HN       ASP  47   2.300  -4.811   5.967
  298    HA   ASP  47           HA       ASP  47   1.086  -3.620   3.788
  299    HB2  ASP  47          3HB       ASP  47   1.063  -6.453   4.789
  300    HB3  ASP  47          2HB       ASP  47   0.212  -5.991   3.321
  301    H    ALA  48           HN       ALA  48  -0.452  -4.981   6.694
  302    HA   ALA  48           HA       ALA  48  -2.952  -5.338   5.643
  303    HB1  ALA  48          1HB       ALA  48  -2.229  -6.294   7.760
  304    HB2  ALA  48          2HB       ALA  48  -3.741  -5.409   7.945
  305    HB3  ALA  48          3HB       ALA  48  -2.227  -4.689   8.487
  306    H    GLN  49           HN       GLN  49  -1.450  -2.439   6.875
  307    HA   GLN  49           HA       GLN  49  -3.924  -1.021   7.129
  308    HB2  GLN  49          3HB       GLN  49  -2.588   0.899   7.749
  309    HB3  GLN  49          2HB       GLN  49  -2.029  -0.525   8.603
  310    HG2  GLN  49          3HG       GLN  49  -0.290  -0.672   6.674
  311    HG3  GLN  49          2HG       GLN  49  -0.704   1.020   6.429
  312   HE21  GLN  49          1HE2      GLN  49  -0.682  -0.581   9.543
  313   HE22  GLN  49          2HE2      GLN  49   0.663   0.298  10.190
  314    H    CYS  50           HN       CYS  50  -1.790  -1.688   4.535
  315    HA   CYS  50           HA       CYS  50  -2.755   0.611   2.982
  316    HB2  CYS  50          3HB       CYS  50  -0.371  -0.010   2.687
  317    HB3  CYS  50          2HB       CYS  50  -0.878  -1.600   2.139
  318    H    ARG  51           HN       ARG  51  -2.624  -2.914   2.862
  319    HA   ARG  51           HA       ARG  51  -4.503  -3.462   0.964
  320    HB2  ARG  51          3HB       ARG  51  -3.386  -5.276   1.940
  321    HB3  ARG  51          2HB       ARG  51  -3.779  -4.761   3.574
  322    HG2  ARG  51          3HG       ARG  51  -5.020  -6.741   2.947
  323    HG3  ARG  51          2HG       ARG  51  -6.074  -5.353   3.235
  324    HD2  ARG  51          3HD       ARG  51  -6.313  -4.989   0.859
  325    HD3  ARG  51          2HD       ARG  51  -5.153  -6.270   0.509
  326    HE   ARG  51           HE       ARG  51  -6.969  -7.658   1.821
  327   HH11  ARG  51          1HH1      ARG  51  -7.452  -5.168  -0.593
  328   HH12  ARG  51          2HH1      ARG  51  -8.949  -5.835  -1.160
  329   HH21  ARG  51          1HH2      ARG  51  -8.928  -8.540   1.067
  330   HH22  ARG  51          2HH2      ARG  51  -9.787  -7.757  -0.222
  331    H    ALA  52           HN       ALA  52  -5.124  -2.724   4.415
  332    HA   ALA  52           HA       ALA  52  -7.964  -2.778   4.116
  333    HB1  ALA  52          1HB       ALA  52  -6.884  -3.188   6.275
  334    HB2  ALA  52          2HB       ALA  52  -8.047  -1.867   6.368
  335    HB3  ALA  52          3HB       ALA  52  -6.319  -1.519   6.306
  336    H    ARG  53           HN       ARG  53  -5.515  -0.339   3.682
  337    HA   ARG  53           HA       ARG  53  -7.312   1.869   3.661
  338    HB2  ARG  53          3HB       ARG  53  -4.935   2.236   4.014
  339    HB3  ARG  53          2HB       ARG  53  -4.570   1.589   2.426
  340    HG2  ARG  53          3HG       ARG  53  -5.630   3.447   1.354
  341    HG3  ARG  53          2HG       ARG  53  -6.238   4.045   2.896
  342    HD2  ARG  53          3HD       ARG  53  -3.320   3.778   2.194
  343    HD3  ARG  53          2HD       ARG  53  -4.248   5.267   2.047
  344    HE   ARG  53           HE       ARG  53  -3.878   3.893   4.632
  345   HH11  ARG  53          1HH1      ARG  53  -3.844   6.794   2.664
  346   HH12  ARG  53          2HH1      ARG  53  -3.413   7.842   3.979
  347   HH21  ARG  53          1HH2      ARG  53  -3.347   5.270   6.373
  348   HH22  ARG  53          2HH2      ARG  53  -3.160   6.973   6.097
  349    H    GLY  54           HN       GLY  54  -6.627  -0.644   1.472
  350    HA2  GLY  54          2HA       GLY  54  -8.302  -1.131  -0.171
  351    HA3  GLY  54          1HA       GLY  54  -8.539   0.596  -0.385
  352    H    CYS  55           HN       CYS  55  -5.311   0.369  -0.219
  353    HA   CYS  55           HA       CYS  55  -5.064   0.521  -3.064
  354    HB2  CYS  55          3HB       CYS  55  -2.911   0.581  -0.954
  355    HB3  CYS  55          2HB       CYS  55  -2.631   0.840  -2.674
  356    H    ASP  56           HN       ASP  56  -2.971  -1.748  -1.109
  357    HA   ASP  56           HA       ASP  56  -3.980  -4.089  -2.229
  358    HB2  ASP  56          3HB       ASP  56  -3.259  -3.374  -4.407
  359    HB3  ASP  56          2HB       ASP  56  -1.701  -2.840  -3.792
  360    H    GLY  57           HN       GLY  57  -0.760  -2.567  -1.700
  361    HA2  GLY  57          2HA       GLY  57  -0.331  -4.174   0.630
  362    HA3  GLY  57          1HA       GLY  57   0.586  -4.724  -0.766
  363    H    CYS  58           HN       CYS  58   1.995  -4.031   1.263
  364    HA   CYS  58           HA       CYS  58   2.934  -1.299   0.732
  365    HB2  CYS  58          3HB       CYS  58   3.225  -3.058   3.170
  366    HB3  CYS  58          2HB       CYS  58   3.940  -1.448   3.003
  367    H    SER  59           HN       SER  59   4.876  -1.048  -0.204
  368    HA   SER  59           HA       SER  59   6.203  -3.569  -0.896
  369    HB2  SER  59          3HB       SER  59   6.351  -0.822  -2.135
  370    HB3  SER  59          2HB       SER  59   7.401  -2.153  -2.623
  371    HG   SER  59           HG       SER  59   5.312  -1.777  -3.797
  372    H    THR  60           HN       THR  60   8.676  -3.317  -1.304
  373    HA   THR  60           HA       THR  60  10.120  -3.126   0.989
  374    HB   THR  60           HB       THR  60  11.988  -2.188  -0.695
  375    HG1  THR  60          1HG       THR  60  11.186  -1.975  -2.635
  376   HG21  THR  60          1HG2      THR  60  11.994  -4.403   0.352
  377   HG22  THR  60          2HG2      THR  60  12.402  -4.516  -1.360
  378   HG23  THR  60          3HG2      THR  60  10.790  -4.964  -0.807
  379    H    SER  61           HN       SER  61   9.119  -0.272  -0.902
  380    HA   SER  61           HA       SER  61  10.890   1.479   0.490
  381    HB2  SER  61          3HB       SER  61   8.569   2.281  -1.246
  382    HB3  SER  61          2HB       SER  61  10.043   3.188  -0.920
  383    HG   SER  61           HG       SER  61  11.027   1.125  -1.933
  384    H    GLY  62           HN       GLY  62   8.195  -0.025   1.494
  385    HA2  GLY  62          2HA       GLY  62   6.742   0.324   3.225
  386    HA3  GLY  62          1HA       GLY  62   7.733   1.701   3.680
  387    H    VAL  63           HN       VAL  63   6.036   1.207   0.644
  388    HA   VAL  63           HA       VAL  63   4.445   3.619   1.218
  389    HB   VAL  63           HB       VAL  63   4.437   4.083  -1.209
  390   HG11  VAL  63          1HG1      VAL  63   6.144   5.102   0.180
  391   HG12  VAL  63          2HG1      VAL  63   6.768   4.758  -1.432
  392   HG13  VAL  63          3HG1      VAL  63   7.200   3.714  -0.078
  393   HG21  VAL  63          1HG2      VAL  63   4.688   1.742  -1.978
  394   HG22  VAL  63          2HG2      VAL  63   6.376   1.790  -1.470
  395   HG23  VAL  63          3HG2      VAL  63   5.813   2.854  -2.755
  396    H    CYS  64           HN       CYS  64   2.336   3.659  -0.171
  397    HA   CYS  64           HA       CYS  64   1.063   1.034   0.349
  398    HB2  CYS  64          3HB       CYS  64   0.189   3.252   1.414
  399    HB3  CYS  64          2HB       CYS  64  -0.320   3.677  -0.195
  400    H    VAL  65           HN       VAL  65   0.939  -0.170  -1.546
  401    HA   VAL  65           HA       VAL  65   0.207   1.213  -4.015
  402    HB   VAL  65           HB       VAL  65   2.250   0.361  -5.205
  403   HG11  VAL  65          1HG1      VAL  65   3.747   2.102  -4.370
  404   HG12  VAL  65          2HG1      VAL  65   2.692   2.300  -2.970
  405   HG13  VAL  65          3HG1      VAL  65   2.093   2.673  -4.586
  406   HG21  VAL  65          1HG2      VAL  65   2.884  -1.358  -3.588
  407   HG22  VAL  65          2HG2      VAL  65   3.265  -0.104  -2.408
  408   HG23  VAL  65          3HG2      VAL  65   4.208  -0.234  -3.891
  409    H    LEU  66           HN       LEU  66   0.278  -0.358  -5.923
  410    HA   LEU  66           HA       LEU  66  -0.470  -3.040  -5.281
  411    HB2  LEU  66          3HB       LEU  66   0.770  -2.026  -7.847
  412    HB3  LEU  66          2HB       LEU  66  -0.138  -3.509  -7.634
  413    HG   LEU  66           HG       LEU  66  -1.284  -0.726  -7.399
  414   HD11  LEU  66          1HD1      LEU  66  -0.658  -1.260  -9.687
  415   HD12  LEU  66          2HD1      LEU  66  -2.411  -1.255  -9.505
  416   HD13  LEU  66          3HD1      LEU  66  -1.537  -2.784  -9.586
  417   HD21  LEU  66          1HD2      LEU  66  -2.601  -3.438  -7.330
  418   HD22  LEU  66          2HD2      LEU  66  -3.451  -1.895  -7.400
  419   HD23  LEU  66          3HD2      LEU  66  -2.471  -2.298  -5.991
  420    H    SER  67           HN       SER  67   1.099  -3.706  -3.786
  421    HA   SER  67           HA       SER  67   3.819  -3.298  -3.878
  422    HB2  SER  67          3HB       SER  67   3.877  -5.539  -2.504
  423    HB3  SER  67          2HB       SER  67   3.067  -4.124  -1.838
  424    HG   SER  67           HG       SER  67   1.262  -5.391  -3.279
  425    H    SER  68           HN       SER  68   5.645  -4.419  -4.841
  426    HA   SER  68           HA       SER  68   4.951  -6.679  -6.565
  427    HB2  SER  68          3HB       SER  68   5.065  -4.582  -7.935
  428    HB3  SER  68          2HB       SER  68   6.736  -4.378  -7.410
  429    HG   SER  68           HG       SER  68   7.315  -6.181  -8.531
  430    H    LEU  69           HN       LEU  69   6.046  -8.303  -5.708
  431    HA   LEU  69           HA       LEU  69   8.902  -8.177  -5.433
  432    HB2  LEU  69          3HB       LEU  69   8.131  -7.135  -3.312
  433    HB3  LEU  69          2HB       LEU  69   7.228  -8.592  -2.949
  434    HG   LEU  69           HG       LEU  69   9.348  -9.864  -2.861
  435   HD11  LEU  69          1HD1      LEU  69  11.470  -8.654  -2.795
  436   HD12  LEU  69          2HD1      LEU  69  10.632  -7.156  -3.197
  437   HD13  LEU  69          3HD1      LEU  69  10.679  -8.479  -4.361
  438   HD21  LEU  69          1HD2      LEU  69  10.131  -8.925  -0.742
  439   HD22  LEU  69          2HD2      LEU  69   8.370  -8.953  -0.823
  440   HD23  LEU  69          3HD2      LEU  69   9.240  -7.439  -1.069
  441    H    HIS  70           HN       HIS  70   6.002  -9.940  -4.387
  442    HA   HIS  70           HA       HIS  70   7.200 -12.359  -5.548
  443    HB2  HIS  70          3HB       HIS  70   5.906 -13.692  -3.879
  444    HB3  HIS  70          2HB       HIS  70   7.168 -12.700  -3.170
  445    HD1  HIS  70          1HD       HIS  70   3.501 -13.246  -3.169
  446    HD2  HIS  70          2HD       HIS  70   6.223 -10.512  -1.619
  447    HE1  HIS  70          1HE       HIS  70   2.242 -11.960  -1.414
  448    HE2  HIS  70          2HE       HIS  70   3.884 -10.258  -0.547
  449    H    HIS  71           HN       HIS  71   6.203 -12.810  -7.354
  450    HA   HIS  71           HA       HIS  71   3.488 -11.893  -7.810
  451    HB2  HIS  71          3HB       HIS  71   5.333 -13.437  -9.652
  452    HB3  HIS  71          2HB       HIS  71   3.824 -12.659 -10.111
  453    HD1  HIS  71          1HD       HIS  71   3.865 -10.094 -10.446
  454    HD2  HIS  71          2HD       HIS  71   7.532 -11.722  -9.359
  455    HE1  HIS  71          1HE       HIS  71   5.561  -8.289 -10.872
  456    HE2  HIS  71          2HE       HIS  71   7.786  -9.361 -10.381
  457    H    HIS  72           HN       HIS  72   1.855 -13.132  -7.103
  458    HA   HIS  72           HA       HIS  72   2.302 -15.913  -6.513
  459    HB2  HIS  72          3HB       HIS  72  -0.055 -15.921  -5.721
  460    HB3  HIS  72          2HB       HIS  72   0.939 -14.691  -4.959
  461    HD1  HIS  72          1HD       HIS  72   0.016 -12.386  -4.953
  462    HD2  HIS  72          2HD       HIS  72  -1.854 -14.802  -7.769
  463    HE1  HIS  72          1HE       HIS  72  -1.911 -11.036  -5.831
  464    HE2  HIS  72          2HE       HIS  72  -3.122 -12.580  -7.400
  465    H    HIS  73           HN       HIS  73   2.728 -15.574  -9.142
  466    HA   HIS  73           HA       HIS  73   0.431 -16.178 -10.743
  467    HB2  HIS  73          3HB       HIS  73   2.342 -14.980 -11.689
  468    HB3  HIS  73          2HB       HIS  73   3.396 -16.341 -11.340
  469    HD1  HIS  73          1HD       HIS  73   3.445 -18.252 -13.010
  470    HD2  HIS  73          2HD       HIS  73   0.580 -15.373 -13.890
  471    HE1  HIS  73          1HE       HIS  73   2.630 -18.796 -15.324
  472    HE2  HIS  73          2HE       HIS  73   0.968 -16.985 -15.877
  473    H    HIS  74           HN       HIS  74  -0.530 -18.047  -9.994
  474    HA   HIS  74           HA       HIS  74   1.119 -20.487 -10.162
  475    HB2  HIS  74          3HB       HIS  74  -1.161 -19.908  -8.264
  476    HB3  HIS  74          2HB       HIS  74  -0.359 -21.468  -8.421
  477    HD1  HIS  74          1HD       HIS  74  -0.324 -18.601  -6.348
  478    HD2  HIS  74          2HD       HIS  74   2.636 -21.046  -7.944
  479    HE1  HIS  74          1HE       HIS  74   1.715 -18.208  -4.938
  480    HE2  HIS  74          2HE       HIS  74   3.526 -19.591  -5.997
  481    H    HIS  75           HN       HIS  75  -1.142 -18.836 -11.751
  482    HA   HIS  75           HA       HIS  75  -2.468 -21.291 -12.694
  483    HB2  HIS  75          3HB       HIS  75  -3.589 -18.482 -12.576
  484    HB3  HIS  75          2HB       HIS  75  -4.377 -19.835 -13.383
  485    HD1  HIS  75          1HD       HIS  75  -4.303 -18.105 -10.242
  486    HD2  HIS  75          2HD       HIS  75  -4.904 -22.040 -11.433
  487    HE1  HIS  75          1HE       HIS  75  -5.451 -19.229  -8.308
  488    HE2  HIS  75          2HE       HIS  75  -5.678 -21.639  -8.999
  Start of MODEL    3
    1    H1   MET   1          1HT       MET   1 -18.856   7.913   9.112
    2    H2   MET   1          2HT       MET   1 -17.183   8.046   9.241
    3    H3   MET   1          3HT       MET   1 -18.166   8.518  10.535
    4    HA   MET   1           HA       MET   1 -17.208   6.418  11.059
    5    HB2  MET   1          3HB       MET   1 -20.100   6.137  10.205
    6    HB3  MET   1          2HB       MET   1 -19.262   5.040  11.292
    7    HG2  MET   1          3HG       MET   1 -19.798   7.959  11.791
    8    HG3  MET   1          2HG       MET   1 -20.666   6.605  12.509
    9    HE1  MET   1          1HE       MET   1 -19.685   4.992  14.317
   10    HE2  MET   1          2HE       MET   1 -18.004   5.004  14.850
   11    HE3  MET   1          3HE       MET   1 -18.402   4.518  13.203
   12    H    CYS   2           HN       CYS   2 -18.129   3.910  10.362
   13    HA   CYS   2           HA       CYS   2 -17.798   2.164   8.959
   14    HB2  CYS   2          3HB       CYS   2 -19.510   3.463   7.629
   15    HB3  CYS   2          2HB       CYS   2 -18.176   4.129   6.697
   16    HG   CYS   2           HG       CYS   2 -18.421   2.291   4.923
   17    H    GLU   3           HN       GLU   3 -15.557   3.726   9.852
   18    HA   GLU   3           HA       GLU   3 -13.356   4.133   9.519
   19    HB2  GLU   3          3HB       GLU   3 -13.663   1.657   7.822
   20    HB3  GLU   3          2HB       GLU   3 -12.114   2.356   8.276
   21    HG2  GLU   3          3HG       GLU   3 -12.869   2.105  10.680
   22    HG3  GLU   3          2HG       GLU   3 -14.182   1.111  10.054
   23    H    PHE   4           HN       PHE   4 -14.811   5.816   8.085
   24    HA   PHE   4           HA       PHE   4 -13.159   6.207   5.667
   25    HB2  PHE   4          3HB       PHE   4 -15.452   5.356   5.043
   26    HB3  PHE   4          2HB       PHE   4 -16.136   6.789   5.798
   27    HD1  PHE   4          1HD       PHE   4 -16.816   8.394   4.313
   28    HD2  PHE   4          2HD       PHE   4 -13.376   6.065   3.386
   29    HE1  PHE   4          1HE       PHE   4 -16.552   9.630   2.204
   30    HE2  PHE   4          2HE       PHE   4 -13.107   7.297   1.275
   31    HZ   PHE   4           HZ       PHE   4 -14.696   9.082   0.680
   32    H    ILE   5           HN       ILE   5 -12.638   7.132   8.110
   33    HA   ILE   5           HA       ILE   5 -13.028   9.991   7.850
   34    HB   ILE   5           HB       ILE   5 -13.466  10.376  10.239
   35   HG12  ILE   5          3HG1      ILE   5 -12.715   8.246  11.222
   36   HG13  ILE   5          2HG1      ILE   5 -14.352   8.643  11.690
   37   HG21  ILE   5          1HG2      ILE   5 -15.847   9.795  10.190
   38   HG22  ILE   5          2HG2      ILE   5 -15.542   8.755   8.800
   39   HG23  ILE   5          3HG2      ILE   5 -15.273  10.494   8.676
   40   HD11  ILE   5          1HD1      ILE   5 -13.569   6.630   9.602
   41   HD12  ILE   5          2HD1      ILE   5 -15.216   7.033  10.083
   42   HD13  ILE   5          3HD1      ILE   5 -14.118   6.280  11.240
   43    H    GLU   6           HN       GLU   6 -11.553   7.903  10.337
   44    HA   GLU   6           HA       GLU   6  -9.401   7.798  11.161
   45    HB2  GLU   6          3HB       GLU   6  -8.675   9.101   8.528
   46    HB3  GLU   6          2HB       GLU   6  -7.541   8.394   9.669
   47    HG2  GLU   6          3HG       GLU   6  -8.437   6.207   9.303
   48    HG3  GLU   6          2HG       GLU   6  -9.744   6.860   8.316
   49    H    ASP   7           HN       ASP   7 -11.183  10.108  11.514
   50    HA   ASP   7           HA       ASP   7  -9.149  12.096  12.276
   51    HB2  ASP   7          3HB       ASP   7 -10.660  12.915  10.496
   52    HB3  ASP   7          2HB       ASP   7 -12.044  12.594  11.534
   53    H    SER   8           HN       SER   8 -11.338   9.832  13.338
   54    HA   SER   8           HA       SER   8 -12.521  11.195  15.545
   55    HB2  SER   8          3HB       SER   8 -12.245   8.208  15.181
   56    HB3  SER   8          2HB       SER   8 -13.464   9.069  16.122
   57    HG   SER   8           HG       SER   8 -14.093   8.296  13.961
   58    H    GLU   9           HN       GLU   9  -9.411  10.219  15.075
   59    HA   GLU   9           HA       GLU   9  -8.826   9.102  17.648
   60    HB2  GLU   9          3HB       GLU   9  -6.993  10.210  15.515
   61    HB3  GLU   9          2HB       GLU   9  -6.467   9.339  16.947
   62    HG2  GLU   9          3HG       GLU   9  -7.714   7.365  16.183
   63    HG3  GLU   9          2HG       GLU   9  -8.171   8.243  14.723
   64    H    ASP  10           HN       ASP  10  -9.297  12.256  16.469
   65    HA   ASP  10           HA       ASP  10  -7.570  13.515  18.423
   66    HB2  ASP  10          3HB       ASP  10  -7.900  14.569  16.207
   67    HB3  ASP  10          2HB       ASP  10  -9.608  14.783  16.581
   68    H    ILE  11           HN       ILE  11  -8.298  12.947  20.393
   69    HA   ILE  11           HA       ILE  11 -11.087  13.169  21.106
   70    HB   ILE  11           HB       ILE  11  -8.737  12.688  22.946
   71   HG12  ILE  11          3HG1      ILE  11 -10.421  10.641  21.483
   72   HG13  ILE  11          2HG1      ILE  11  -8.757  11.052  21.085
   73   HG21  ILE  11          1HG2      ILE  11 -10.806  13.281  24.078
   74   HG22  ILE  11          2HG2      ILE  11 -10.409  11.587  24.363
   75   HG23  ILE  11          3HG2      ILE  11 -11.666  12.015  23.202
   76   HD11  ILE  11          1HD1      ILE  11  -9.704   9.826  23.665
   77   HD12  ILE  11          2HD1      ILE  11  -8.035  10.232  23.265
   78   HD13  ILE  11          3HD1      ILE  11  -8.882   8.984  22.350
   79    H    GLN  12           HN       GLN  12  -8.248  15.111  21.212
   80    HA   GLN  12           HA       GLN  12  -8.979  16.757  23.418
   81    HB2  GLN  12          3HB       GLN  12  -6.965  17.126  21.206
   82    HB3  GLN  12          2HB       GLN  12  -7.200  18.304  22.489
   83    HG2  GLN  12          3HG       GLN  12  -6.331  15.441  22.834
   84    HG3  GLN  12          2HG       GLN  12  -5.323  16.875  22.989
   85   HE21  GLN  12          1HE2      GLN  12  -5.989  14.742  24.909
   86   HE22  GLN  12          2HE2      GLN  12  -6.627  15.554  26.294
   87    H    GLY  13           HN       GLY  13  -9.448  16.983  19.925
   88    HA2  GLY  13          2HA       GLY  13 -10.608  19.585  19.989
   89    HA3  GLY  13          1HA       GLY  13 -10.760  18.413  18.687
   90    H    LEU  14           HN       LEU  14 -11.817  16.349  20.432
   91    HA   LEU  14           HA       LEU  14 -13.828  15.481  21.006
   92    HB2  LEU  14          3HB       LEU  14 -13.437  16.943  22.969
   93    HB3  LEU  14          2HB       LEU  14 -14.317  18.226  22.163
   94    HG   LEU  14           HG       LEU  14 -16.350  16.793  22.176
   95   HD11  LEU  14          1HD1      LEU  14 -15.283  14.613  22.261
   96   HD12  LEU  14          2HD1      LEU  14 -16.390  14.818  23.618
   97   HD13  LEU  14          3HD1      LEU  14 -14.651  14.968  23.869
   98   HD21  LEU  14          1HD2      LEU  14 -15.093  17.294  24.868
   99   HD22  LEU  14          2HD2      LEU  14 -16.811  17.039  24.564
  100   HD23  LEU  14          3HD2      LEU  14 -16.000  18.462  23.909
  101    H    LYS  15           HN       LYS  15 -14.108  15.606  18.592
  102    HA   LYS  15           HA       LYS  15 -16.244  17.482  17.852
  103    HB2  LYS  15          3HB       LYS  15 -14.088  17.418  16.498
  104    HB3  LYS  15          2HB       LYS  15 -14.585  15.823  15.949
  105    HG2  LYS  15          3HG       LYS  15 -15.137  17.531  14.316
  106    HG3  LYS  15          2HG       LYS  15 -16.595  16.775  14.959
  107    HD2  LYS  15          3HD       LYS  15 -16.966  18.667  16.425
  108    HD3  LYS  15          2HD       LYS  15 -15.456  19.407  15.892
  109    HE2  LYS  15          3HE       LYS  15 -16.341  19.578  13.622
  110    HE3  LYS  15          2HE       LYS  15 -17.847  18.825  14.148
  111    HZ1  LYS  15          1HZ       LYS  15 -18.078  21.209  14.053
  112    HZ2  LYS  15          2HZ       LYS  15 -16.771  21.423  15.100
  113    HZ3  LYS  15          3HZ       LYS  15 -18.188  20.693  15.659
  114    H    SER  16           HN       SER  16 -16.472  14.952  19.382
  115    HA   SER  16           HA       SER  16 -17.882  13.124  17.674
  116    HB2  SER  16          3HB       SER  16 -18.515  12.138  19.993
  117    HB3  SER  16          2HB       SER  16 -16.829  12.071  19.479
  118    HG   SER  16           HG       SER  16 -16.306  13.352  21.056
  119    H    LEU  17           HN       LEU  17 -18.838  15.828  17.667
  120    HA   LEU  17           HA       LEU  17 -21.516  15.566  18.870
  121    HB2  LEU  17          3HB       LEU  17 -20.052  18.048  17.991
  122    HB3  LEU  17          2HB       LEU  17 -21.619  18.004  18.775
  123    HG   LEU  17           HG       LEU  17 -19.051  17.075  20.062
  124   HD11  LEU  17          1HD1      LEU  17 -19.177  19.138  21.361
  125   HD12  LEU  17          2HD1      LEU  17 -20.564  19.657  20.406
  126   HD13  LEU  17          3HD1      LEU  17 -18.987  19.470  19.641
  127   HD21  LEU  17          1HD2      LEU  17 -20.378  17.140  22.122
  128   HD22  LEU  17          2HD2      LEU  17 -21.038  15.993  20.956
  129   HD23  LEU  17          3HD2      LEU  17 -21.808  17.563  21.181
  130    H    ARG  18           HN       ARG  18 -20.411  14.541  16.316
  131    HA   ARG  18           HA       ARG  18 -22.249  15.885  14.458
  132    HB2  ARG  18          3HB       ARG  18 -20.638  15.455  12.619
  133    HB3  ARG  18          2HB       ARG  18 -20.017  16.570  13.825
  134    HG2  ARG  18          3HG       ARG  18 -18.668  14.780  14.797
  135    HG3  ARG  18          2HG       ARG  18 -19.309  13.648  13.604
  136    HD2  ARG  18          3HD       ARG  18 -18.278  14.887  11.820
  137    HD3  ARG  18          2HD       ARG  18 -17.766  16.150  12.943
  138    HE   ARG  18           HE       ARG  18 -16.796  13.463  13.479
  139   HH11  ARG  18          1HH1      ARG  18 -16.145  16.589  12.054
  140   HH12  ARG  18          2HH1      ARG  18 -14.419  16.402  12.134
  141   HH21  ARG  18          1HH2      ARG  18 -14.537  13.205  13.565
  142   HH22  ARG  18          2HH2      ARG  18 -13.497  14.468  12.971
  143    H    LYS  19           HN       LYS  19 -23.001  13.786  15.978
  144    HA   LYS  19           HA       LYS  19 -22.555  11.230  14.873
  145    HB2  LYS  19          3HB       LYS  19 -23.365  11.549  17.152
  146    HB3  LYS  19          2HB       LYS  19 -24.853  12.260  16.550
  147    HG2  LYS  19          3HG       LYS  19 -25.512  10.150  15.578
  148    HG3  LYS  19          2HG       LYS  19 -23.983   9.419  16.071
  149    HD2  LYS  19          3HD       LYS  19 -24.533   9.633  18.379
  150    HD3  LYS  19          2HD       LYS  19 -25.930  10.646  18.015
  151    HE2  LYS  19          3HE       LYS  19 -25.635   7.765  17.177
  152    HE3  LYS  19          2HE       LYS  19 -26.515   8.307  18.604
  153    HZ1  LYS  19          1HZ       LYS  19 -28.017   7.951  16.764
  154    HZ2  LYS  19          2HZ       LYS  19 -27.147   9.026  15.793
  155    HZ3  LYS  19          3HZ       LYS  19 -27.974   9.594  17.153
  156    H    SER  20           HN       SER  20 -24.665  13.811  13.974
  157    HA   SER  20           HA       SER  20 -25.823  12.078  11.882
  158    HB2  SER  20          3HB       SER  20 -27.509  12.738  13.608
  159    HB3  SER  20          2HB       SER  20 -27.208  14.430  13.217
  160    HG   SER  20           HG       SER  20 -28.080  14.136  11.223
  161    H    HIS  21           HN       HIS  21 -24.590  15.263  12.792
  162    HA   HIS  21           HA       HIS  21 -24.953  16.404  10.178
  163    HB2  HIS  21          3HB       HIS  21 -25.004  17.661  12.388
  164    HB3  HIS  21          2HB       HIS  21 -23.255  17.491  12.429
  165    HD1  HIS  21          1HD       HIS  21 -23.168  20.131  12.389
  166    HD2  HIS  21          2HD       HIS  21 -24.721  18.372   8.960
  167    HE1  HIS  21          1HE       HIS  21 -23.170  21.938  10.644
  168    HE2  HIS  21          2HE       HIS  21 -24.255  20.894   8.622
  169    H    THR  22           HN       THR  22 -23.024  14.024  10.990
  170    HA   THR  22           HA       THR  22 -20.358  14.509  10.623
  171    HB   THR  22           HB       THR  22 -21.399  12.306   8.905
  172    HG1  THR  22          1HG       THR  22 -21.756  12.374  11.747
  173   HG21  THR  22          1HG2      THR  22 -19.419  12.417  11.183
  174   HG22  THR  22          2HG2      THR  22 -19.017  12.528   9.469
  175   HG23  THR  22          3HG2      THR  22 -19.707  11.040  10.119
  176    H    SER  23           HN       SER  23 -22.652  14.351   7.811
  177    HA   SER  23           HA       SER  23 -21.155  16.296   6.410
  178    HB2  SER  23          3HB       SER  23 -19.725  14.197   6.113
  179    HB3  SER  23          2HB       SER  23 -21.062  13.530   5.178
  180    HG   SER  23           HG       SER  23 -19.222  15.492   4.514
  181    H    LEU  24           HN       LEU  24 -23.715  16.268   7.169
  182    HA   LEU  24           HA       LEU  24 -25.380  15.214   5.030
  183    HB2  LEU  24          3HB       LEU  24 -25.990  15.018   7.466
  184    HB3  LEU  24          2HB       LEU  24 -26.214  16.751   7.496
  185    HG   LEU  24           HG       LEU  24 -27.786  15.042   5.585
  186   HD11  LEU  24          1HD1      LEU  24 -28.089  14.084   7.815
  187   HD12  LEU  24          2HD1      LEU  24 -29.551  14.901   7.261
  188   HD13  LEU  24          3HD1      LEU  24 -28.502  15.679   8.445
  189   HD21  LEU  24          1HD2      LEU  24 -27.816  17.486   5.288
  190   HD22  LEU  24          2HD2      LEU  24 -28.380  17.669   6.948
  191   HD23  LEU  24          3HD2      LEU  24 -29.395  16.856   5.758
  192    H    GLU  25           HN       GLU  25 -24.621  18.339   6.531
  193    HA   GLU  25           HA       GLU  25 -24.808  19.699   4.039
  194    HB2  GLU  25          3HB       GLU  25 -27.218  19.496   4.599
  195    HB3  GLU  25          2HB       GLU  25 -26.917  20.348   6.107
  196    HG2  GLU  25          3HG       GLU  25 -26.195  22.316   4.851
  197    HG3  GLU  25          2HG       GLU  25 -26.505  21.462   3.341
  198    H    ASP  26           HN       ASP  26 -22.745  20.290   4.602
  199    HA   ASP  26           HA       ASP  26 -22.546  22.749   5.993
  200    HB2  ASP  26          3HB       ASP  26 -20.878  22.051   7.681
  201    HB3  ASP  26          2HB       ASP  26 -22.462  21.364   7.983
  202    H    ASP  27           HN       ASP  27 -20.574  23.745   5.677
  203    HA   ASP  27           HA       ASP  27 -19.160  22.700   3.352
  204    HB2  ASP  27          3HB       ASP  27 -19.181  25.425   4.653
  205    HB3  ASP  27          2HB       ASP  27 -18.128  25.009   3.304
  206    H    ASP  28           HN       ASP  28 -18.884  22.359   6.514
  207    HA   ASP  28           HA       ASP  28 -16.087  22.841   6.910
  208    HB2  ASP  28          3HB       ASP  28 -17.556  23.056   8.815
  209    HB3  ASP  28          2HB       ASP  28 -18.154  21.418   8.584
  210    H    ASP  29           HN       ASP  29 -18.055  19.931   7.008
  211    HA   ASP  29           HA       ASP  29 -17.551  17.722   6.668
  212    HB2  ASP  29          3HB       ASP  29 -17.540  18.687   4.334
  213    HB3  ASP  29          2HB       ASP  29 -15.790  18.807   4.454
  214    H    GLY  30           HN       GLY  30 -16.153  18.703   8.738
  215    HA2  GLY  30          2HA       GLY  30 -13.324  18.231   8.469
  216    HA3  GLY  30          1HA       GLY  30 -14.189  18.594   9.953
  217    H    SER  31           HN       SER  31 -15.784  16.141   8.475
  218    HA   SER  31           HA       SER  31 -14.860  14.169  10.333
  219    HB2  SER  31          3HB       SER  31 -16.750  13.818   7.995
  220    HB3  SER  31          2HB       SER  31 -16.617  12.788   9.421
  221    HG   SER  31           HG       SER  31 -18.192  14.854   9.112
  222    H    ARG  32           HN       ARG  32 -12.941  15.145   8.328
  223    HA   ARG  32           HA       ARG  32 -12.314  12.608   7.018
  224    HB2  ARG  32          3HB       ARG  32 -11.648  13.706   4.970
  225    HB3  ARG  32          2HB       ARG  32 -13.308  14.137   5.340
  226    HG2  ARG  32          3HG       ARG  32 -12.568  16.319   6.156
  227    HG3  ARG  32          2HG       ARG  32 -10.894  15.877   5.820
  228    HD2  ARG  32          3HD       ARG  32 -11.548  15.576   3.432
  229    HD3  ARG  32          2HD       ARG  32 -13.134  16.224   3.842
  230    HE   ARG  32           HE       ARG  32 -10.596  17.712   3.994
  231   HH11  ARG  32          1HH1      ARG  32 -14.096  17.654   3.790
  232   HH12  ARG  32          2HH1      ARG  32 -14.220  19.357   3.459
  233   HH21  ARG  32          1HH2      ARG  32 -10.766  19.949   3.582
  234   HH22  ARG  32          2HH2      ARG  32 -12.332  20.658   3.341
  235    H    GLY  33           HN       GLY  33 -10.383  11.911   7.660
  236    HA2  GLY  33          2HA       GLY  33  -8.313  13.928   8.257
  237    HA3  GLY  33          1HA       GLY  33  -8.533  12.491   9.247
  238    H    GLY  34           HN       GLY  34  -9.013  10.646   7.174
  239    HA2  GLY  34          2HA       GLY  34  -6.285  10.282   6.239
  240    HA3  GLY  34          1HA       GLY  34  -7.584   9.103   6.159
  241    H    ASP  35           HN       ASP  35  -6.935  12.352   4.875
  242    HA   ASP  35           HA       ASP  35  -8.395  11.815   2.459
  243    HB2  ASP  35          3HB       ASP  35  -6.568  14.160   3.078
  244    HB3  ASP  35          2HB       ASP  35  -7.623  14.018   1.683
  245    H    CYS  36           HN       CYS  36  -5.276  11.064   3.454
  246    HA   CYS  36           HA       CYS  36  -3.930  11.247   0.961
  247    HB2  CYS  36          3HB       CYS  36  -2.365   9.553   2.086
  248    HB3  CYS  36          2HB       CYS  36  -2.549  11.120   2.867
  249    HG   CYS  36           HG       CYS  36  -3.252  10.205   5.154
  250    H    GLU  37           HN       GLU  37  -5.282  10.357  -0.603
  251    HA   GLU  37           HA       GLU  37  -5.699   7.444  -0.423
  252    HB2  GLU  37          3HB       GLU  37  -7.718   9.195  -0.256
  253    HB3  GLU  37          2HB       GLU  37  -7.582   9.132  -2.006
  254    HG2  GLU  37          3HG       GLU  37  -7.926   6.695  -0.276
  255    HG3  GLU  37          2HG       GLU  37  -9.268   7.587  -0.986
  256    H    GLY  38           HN       GLY  38  -3.422   8.335  -1.489
  257    HA2  GLY  38          2HA       GLY  38  -3.853   8.208  -4.403
  258    HA3  GLY  38          1HA       GLY  38  -2.409   8.846  -3.630
  259    H    CYS  39           HN       CYS  39  -1.914   6.839  -1.772
  260    HA   CYS  39           HA       CYS  39  -0.842   4.891  -1.522
  261    HB2  CYS  39          3HB       CYS  39  -2.806   4.043  -3.645
  262    HB3  CYS  39          2HB       CYS  39  -1.692   2.924  -2.863
  263    H    SER  40           HN       SER  40   1.038   5.863  -2.168
  264    HA   SER  40           HA       SER  40   2.699   4.608  -3.910
  265    HB2  SER  40          3HB       SER  40   0.934   5.664  -5.515
  266    HB3  SER  40          2HB       SER  40   1.844   7.152  -5.256
  267    HG   SER  40           HG       SER  40   2.663   6.076  -7.061
  268    H    GLY  41           HN       GLY  41   1.581   7.756  -2.902
  269    HA2  GLY  41          2HA       GLY  41   4.300   8.300  -1.784
  270    HA3  GLY  41          1HA       GLY  41   3.133   9.576  -2.134
  271    H    THR  42           HN       THR  42   2.297   6.486  -0.688
  272    HA   THR  42           HA       THR  42   1.704   7.872   1.848
  273    HB   THR  42           HB       THR  42   0.228   5.454   0.795
  274    HG1  THR  42          1HG       THR  42  -0.464   8.213   0.482
  275   HG21  THR  42          1HG2      THR  42  -0.504   7.550   2.848
  276   HG22  THR  42          2HG2      THR  42   0.026   5.904   3.196
  277   HG23  THR  42          3HG2      THR  42  -1.507   6.180   2.369
  278    H    ALA  43           HN       ALA  43   2.516   6.912   3.672
  279    HA   ALA  43           HA       ALA  43   4.295   4.625   3.161
  280    HB1  ALA  43          1HB       ALA  43   4.370   6.655   5.398
  281    HB2  ALA  43          2HB       ALA  43   5.379   6.672   3.951
  282    HB3  ALA  43          3HB       ALA  43   5.540   5.365   5.124
  283    H    CYS  44           HN       CYS  44   3.898   2.801   3.887
  284    HA   CYS  44           HA       CYS  44   2.368   2.432   6.370
  285    HB2  CYS  44          3HB       CYS  44   1.993   0.091   5.407
  286    HB3  CYS  44          2HB       CYS  44   1.080   1.410   4.687
  287    H    SER  45           HN       SER  45   3.426   1.422   7.963
  288    HA   SER  45           HA       SER  45   6.048   0.286   7.396
  289    HB2  SER  45          3HB       SER  45   4.656   0.043  10.072
  290    HB3  SER  45          2HB       SER  45   6.379   0.154   9.717
  291    HG   SER  45           HG       SER  45   5.834   2.357   8.919
  292    H    SER  46           HN       SER  46   2.760  -0.650   8.062
  293    HA   SER  46           HA       SER  46   3.501  -3.459   7.587
  294    HB2  SER  46          3HB       SER  46   2.464  -3.178   9.774
  295    HB3  SER  46          2HB       SER  46   1.118  -2.297   9.056
  296    HG   SER  46           HG       SER  46   1.275  -4.870   9.462
  297    H    ASP  47           HN       ASP  47   2.455  -4.517   5.897
  298    HA   ASP  47           HA       ASP  47   1.033  -3.039   3.969
  299    HB2  ASP  47          3HB       ASP  47   0.751  -5.109   2.795
  300    HB3  ASP  47          2HB       ASP  47   2.368  -5.095   3.490
  301    H    ALA  48           HN       ALA  48  -0.107  -4.474   6.912
  302    HA   ALA  48           HA       ALA  48  -2.576  -5.297   6.072
  303    HB1  ALA  48          1HB       ALA  48  -1.653  -5.904   8.240
  304    HB2  ALA  48          2HB       ALA  48  -3.245  -5.168   8.424
  305    HB3  ALA  48          3HB       ALA  48  -1.794  -4.230   8.773
  306    H    GLN  49           HN       GLN  49  -1.354  -2.150   6.847
  307    HA   GLN  49           HA       GLN  49  -3.925  -0.901   7.015
  308    HB2  GLN  49          3HB       GLN  49  -2.682   1.193   7.320
  309    HB3  GLN  49          2HB       GLN  49  -2.136  -0.054   8.425
  310    HG2  GLN  49          3HG       GLN  49  -0.218  -0.462   6.840
  311    HG3  GLN  49          2HG       GLN  49  -0.740   0.975   5.974
  312   HE21  GLN  49          1HE2      GLN  49  -1.559   2.363   8.389
  313   HE22  GLN  49          2HE2      GLN  49  -0.103   2.849   9.186
  314    H    CYS  50           HN       CYS  50  -1.712  -1.699   4.538
  315    HA   CYS  50           HA       CYS  50  -2.912   0.221   2.681
  316    HB2  CYS  50          3HB       CYS  50  -0.400  -0.532   2.544
  317    HB3  CYS  50          2HB       CYS  50  -1.077  -1.982   1.799
  318    H    ARG  51           HN       ARG  51  -2.881  -3.250   3.401
  319    HA   ARG  51           HA       ARG  51  -4.747  -4.117   1.531
  320    HB2  ARG  51          3HB       ARG  51  -4.329  -4.993   4.400
  321    HB3  ARG  51          2HB       ARG  51  -5.406  -5.815   3.284
  322    HG2  ARG  51          3HG       ARG  51  -2.424  -5.519   3.045
  323    HG3  ARG  51          2HG       ARG  51  -3.331  -6.993   3.397
  324    HD2  ARG  51          3HD       ARG  51  -3.456  -5.386   0.856
  325    HD3  ARG  51          2HD       ARG  51  -2.633  -6.928   1.072
  326    HE   ARG  51           HE       ARG  51  -5.250  -7.379   1.803
  327   HH11  ARG  51          1HH1      ARG  51  -3.573  -6.298  -1.066
  328   HH12  ARG  51          2HH1      ARG  51  -4.757  -6.934  -2.161
  329   HH21  ARG  51          1HH2      ARG  51  -6.825  -8.208   0.380
  330   HH22  ARG  51          2HH2      ARG  51  -6.621  -8.017  -1.334
  331    H    ALA  52           HN       ALA  52  -5.237  -2.828   4.791
  332    HA   ALA  52           HA       ALA  52  -8.069  -2.704   4.616
  333    HB1  ALA  52          1HB       ALA  52  -6.908  -2.741   6.764
  334    HB2  ALA  52          2HB       ALA  52  -7.927  -1.310   6.627
  335    HB3  ALA  52          3HB       ALA  52  -6.183  -1.174   6.409
  336    H    ARG  53           HN       ARG  53  -5.550  -0.818   3.308
  337    HA   ARG  53           HA       ARG  53  -7.033   1.617   3.109
  338    HB2  ARG  53          3HB       ARG  53  -4.488   1.407   3.103
  339    HB3  ARG  53          2HB       ARG  53  -4.663   0.963   1.410
  340    HG2  ARG  53          3HG       ARG  53  -4.143   3.335   1.671
  341    HG3  ARG  53          2HG       ARG  53  -5.738   3.103   0.945
  342    HD2  ARG  53          3HD       ARG  53  -6.771   3.454   3.145
  343    HD3  ARG  53          2HD       ARG  53  -5.179   3.708   3.850
  344    HE   ARG  53           HE       ARG  53  -5.323   5.560   1.862
  345   HH11  ARG  53          1HH1      ARG  53  -7.342   4.733   4.578
  346   HH12  ARG  53          2HH1      ARG  53  -7.889   6.360   4.851
  347   HH21  ARG  53          1HH2      ARG  53  -6.062   7.708   2.180
  348   HH22  ARG  53          2HH2      ARG  53  -7.204   8.045   3.448
  349    H    GLY  54           HN       GLY  54  -7.447  -1.257   1.657
  350    HA2  GLY  54          2HA       GLY  54  -8.700  -1.904  -0.180
  351    HA3  GLY  54          1HA       GLY  54  -9.148  -0.214  -0.383
  352    H    CYS  55           HN       CYS  55  -5.860  -0.466  -0.176
  353    HA   CYS  55           HA       CYS  55  -5.648  -0.084  -3.043
  354    HB2  CYS  55          3HB       CYS  55  -3.814   0.628  -0.798
  355    HB3  CYS  55          2HB       CYS  55  -3.227   0.578  -2.465
  356    H    ASP  56           HN       ASP  56  -2.977  -1.676  -1.237
  357    HA   ASP  56           HA       ASP  56  -3.739  -4.204  -2.313
  358    HB2  ASP  56          3HB       ASP  56  -3.106  -3.220  -4.432
  359    HB3  ASP  56          2HB       ASP  56  -1.561  -2.704  -3.771
  360    H    GLY  57           HN       GLY  57  -0.650  -2.383  -1.668
  361    HA2  GLY  57          2HA       GLY  57  -0.337  -3.854   0.753
  362    HA3  GLY  57          1HA       GLY  57   0.580  -4.618  -0.532
  363    H    CYS  58           HN       CYS  58   1.785  -3.740   1.653
  364    HA   CYS  58           HA       CYS  58   3.040  -1.199   1.128
  365    HB2  CYS  58          3HB       CYS  58   2.653  -2.578   3.422
  366    HB3  CYS  58          2HB       CYS  58   4.285  -3.095   3.032
  367    H    SER  59           HN       SER  59   4.811  -0.927  -0.063
  368    HA   SER  59           HA       SER  59   6.166  -3.293  -1.086
  369    HB2  SER  59          3HB       SER  59   5.566  -1.427  -2.634
  370    HB3  SER  59          2HB       SER  59   6.661  -0.372  -1.742
  371    HG   SER  59           HG       SER  59   7.636  -1.288  -3.611
  372    H    THR  60           HN       THR  60   8.628  -3.333  -1.012
  373    HA   THR  60           HA       THR  60   9.641  -3.420   1.509
  374    HB   THR  60           HB       THR  60  11.720  -2.415  -0.239
  375    HG1  THR  60          1HG       THR  60  10.169  -4.585  -1.258
  376   HG21  THR  60          1HG2      THR  60  12.629  -4.655   0.126
  377   HG22  THR  60          2HG2      THR  60  11.091  -5.176   0.815
  378   HG23  THR  60          3HG2      THR  60  12.060  -3.956   1.642
  379    H    SER  61           HN       SER  61   9.442  -0.394  -0.376
  380    HA   SER  61           HA       SER  61  11.124   1.017   1.456
  381    HB2  SER  61          3HB       SER  61   9.459   2.066  -0.831
  382    HB3  SER  61          2HB       SER  61  10.743   2.937   0.007
  383    HG   SER  61           HG       SER  61  12.239   1.563  -0.842
  384    H    GLY  62           HN       GLY  62   8.313  -0.103   2.198
  385    HA2  GLY  62          2HA       GLY  62   6.753   0.493   3.757
  386    HA3  GLY  62          1HA       GLY  62   7.774   1.869   4.138
  387    H    VAL  63           HN       VAL  63   6.053   1.035   1.139
  388    HA   VAL  63           HA       VAL  63   4.473   3.490   1.482
  389    HB   VAL  63           HB       VAL  63   4.589   3.819  -1.020
  390   HG11  VAL  63          1HG1      VAL  63   6.792   4.903  -0.946
  391   HG12  VAL  63          2HG1      VAL  63   7.143   4.053   0.559
  392   HG13  VAL  63          3HG1      VAL  63   5.832   5.230   0.497
  393   HG21  VAL  63          1HG2      VAL  63   6.858   1.855  -0.784
  394   HG22  VAL  63          2HG2      VAL  63   6.538   2.871  -2.185
  395   HG23  VAL  63          3HG2      VAL  63   5.374   1.639  -1.709
  396    H    CYS  64           HN       CYS  64   2.480   3.523   0.201
  397    HA   CYS  64           HA       CYS  64   1.171   0.890   0.471
  398    HB2  CYS  64          3HB       CYS  64   0.285   3.048   1.663
  399    HB3  CYS  64          2HB       CYS  64  -0.168   3.577   0.064
  400    H    VAL  65           HN       VAL  65   0.968  -0.158  -1.442
  401    HA   VAL  65           HA       VAL  65   0.552   1.387  -3.891
  402    HB   VAL  65           HB       VAL  65   2.538   0.659  -4.995
  403   HG11  VAL  65          1HG1      VAL  65   3.229   1.505  -2.207
  404   HG12  VAL  65          2HG1      VAL  65   2.892   2.569  -3.574
  405   HG13  VAL  65          3HG1      VAL  65   4.336   1.555  -3.582
  406   HG21  VAL  65          1HG2      VAL  65   3.461  -0.864  -2.582
  407   HG22  VAL  65          2HG2      VAL  65   4.037  -0.966  -4.246
  408   HG23  VAL  65          3HG2      VAL  65   2.455  -1.623  -3.813
  409    H    LEU  66           HN       LEU  66   0.491  -0.100  -5.829
  410    HA   LEU  66           HA       LEU  66  -0.522  -2.741  -5.318
  411    HB2  LEU  66          3HB       LEU  66   0.755  -1.734  -7.862
  412    HB3  LEU  66          2HB       LEU  66  -0.354  -3.079  -7.685
  413    HG   LEU  66           HG       LEU  66  -1.053  -0.166  -7.305
  414   HD11  LEU  66          1HD1      LEU  66  -1.782  -2.098  -9.501
  415   HD12  LEU  66          2HD1      LEU  66  -0.662  -0.744  -9.639
  416   HD13  LEU  66          3HD1      LEU  66  -2.374  -0.444  -9.338
  417   HD21  LEU  66          1HD2      LEU  66  -2.371  -1.577  -5.841
  418   HD22  LEU  66          2HD2      LEU  66  -2.777  -2.637  -7.190
  419   HD23  LEU  66          3HD2      LEU  66  -3.368  -0.976  -7.165
  420    H    SER  67           HN       SER  67   0.850  -4.208  -4.316
  421    HA   SER  67           HA       SER  67   3.460  -3.526  -3.644
  422    HB2  SER  67          3HB       SER  67   2.535  -6.407  -3.807
  423    HB3  SER  67          2HB       SER  67   3.619  -5.660  -2.634
  424    HG   SER  67           HG       SER  67   0.833  -5.129  -2.919
  425    H    SER  68           HN       SER  68   5.546  -3.923  -4.648
  426    HA   SER  68           HA       SER  68   5.489  -4.911  -7.355
  427    HB2  SER  68          3HB       SER  68   7.823  -3.970  -5.671
  428    HB3  SER  68          2HB       SER  68   7.827  -4.213  -7.418
  429    HG   SER  68           HG       SER  68   5.849  -2.635  -7.084
  430    H    LEU  69           HN       LEU  69   4.930  -7.088  -7.012
  431    HA   LEU  69           HA       LEU  69   6.270  -8.802  -5.208
  432    HB2  LEU  69          3HB       LEU  69   4.806  -9.533  -7.747
  433    HB3  LEU  69          2HB       LEU  69   5.204 -10.625  -6.434
  434    HG   LEU  69           HG       LEU  69   3.273  -8.308  -6.311
  435   HD11  LEU  69          1HD1      LEU  69   2.429 -10.257  -7.513
  436   HD12  LEU  69          2HD1      LEU  69   1.595 -10.040  -5.975
  437   HD13  LEU  69          3HD1      LEU  69   2.833 -11.285  -6.139
  438   HD21  LEU  69          1HD2      LEU  69   4.433  -8.513  -4.197
  439   HD22  LEU  69          2HD2      LEU  69   4.125 -10.249  -4.166
  440   HD23  LEU  69          3HD2      LEU  69   2.781  -9.113  -4.034
  441    H    HIS  70           HN       HIS  70   6.616  -8.444  -8.742
  442    HA   HIS  70           HA       HIS  70   9.084 -10.006  -8.577
  443    HB2  HIS  70          3HB       HIS  70   7.406 -10.708 -10.242
  444    HB3  HIS  70          2HB       HIS  70   7.516  -9.131 -11.012
  445    HD1  HIS  70          1HD       HIS  70   9.119  -8.984 -12.899
  446    HD2  HIS  70          2HD       HIS  70  10.009 -12.139 -10.344
  447    HE1  HIS  70          1HE       HIS  70  11.039 -10.200 -13.973
  448    HE2  HIS  70          2HE       HIS  70  11.689 -11.971 -12.302
  449    H    HIS  71           HN       HIS  71   8.248  -7.392 -10.829
  450    HA   HIS  71           HA       HIS  71   9.599  -5.814 -11.759
  451    HB2  HIS  71          3HB       HIS  71   9.556  -5.254  -8.837
  452    HB3  HIS  71          2HB       HIS  71  10.645  -4.305  -9.842
  453    HD1  HIS  71          1HD       HIS  71   8.869  -2.406  -8.874
  454    HD2  HIS  71          2HD       HIS  71   7.548  -4.971 -11.863
  455    HE1  HIS  71          1HE       HIS  71   6.872  -1.281  -9.892
  456    HE2  HIS  71          2HE       HIS  71   5.963  -2.959 -11.536
  457    H    HIS  72           HN       HIS  72  11.878  -5.410  -9.247
  458    HA   HIS  72           HA       HIS  72  13.828  -7.080 -10.680
  459    HB2  HIS  72          3HB       HIS  72  14.115  -4.161  -9.996
  460    HB3  HIS  72          2HB       HIS  72  15.504  -5.189 -10.312
  461    HD1  HIS  72          1HD       HIS  72  12.667  -3.456 -12.008
  462    HD2  HIS  72          2HD       HIS  72  15.852  -5.937 -12.997
  463    HE1  HIS  72          1HE       HIS  72  12.877  -3.322 -14.511
  464    HE2  HIS  72          2HE       HIS  72  14.919  -4.692 -15.063
  465    H    HIS  73           HN       HIS  73  12.716  -5.709  -7.695
  466    HA   HIS  73           HA       HIS  73  14.963  -5.726  -6.121
  467    HB2  HIS  73          3HB       HIS  73  13.566  -5.720  -4.209
  468    HB3  HIS  73          2HB       HIS  73  12.665  -4.897  -5.467
  469    HD1  HIS  73          1HD       HIS  73  12.254  -7.319  -2.898
  470    HD2  HIS  73          2HD       HIS  73  10.729  -6.860  -6.743
  471    HE1  HIS  73          1HE       HIS  73  10.190  -8.759  -2.992
  472    HE2  HIS  73          2HE       HIS  73   9.387  -8.599  -5.374
  473    H    HIS  74           HN       HIS  74  16.301  -7.158  -5.360
  474    HA   HIS  74           HA       HIS  74  15.928  -9.958  -5.860
  475    HB2  HIS  74          3HB       HIS  74  18.135  -8.798  -6.035
  476    HB3  HIS  74          2HB       HIS  74  18.117  -8.580  -4.290
  477    HD1  HIS  74          1HD       HIS  74  18.748 -11.106  -6.940
  478    HD2  HIS  74          2HD       HIS  74  18.589 -10.940  -2.792
  479    HE1  HIS  74          1HE       HIS  74  19.786 -13.245  -6.137
  480    HE2  HIS  74          2HE       HIS  74  19.914 -12.989  -3.641
  481    H    HIS  75           HN       HIS  75  15.756  -7.810  -3.091
  482    HA   HIS  75           HA       HIS  75  14.751 -10.081  -1.512
  483    HB2  HIS  75          3HB       HIS  75  15.531  -9.021   0.521
  484    HB3  HIS  75          2HB       HIS  75  16.876  -9.182  -0.595
  485    HD1  HIS  75          1HD       HIS  75  18.001  -7.030  -1.404
  486    HD2  HIS  75          2HD       HIS  75  14.707  -6.369   1.045
  487    HE1  HIS  75          1HE       HIS  75  18.102  -4.597  -0.778
  488    HE2  HIS  75          2HE       HIS  75  16.011  -4.183   0.566
  Start of MODEL    4
    1    H1   MET   1          1HT       MET   1 -17.372  -0.172   6.863
    2    H2   MET   1          2HT       MET   1 -18.124   1.299   6.502
    3    H3   MET   1          3HT       MET   1 -17.556   0.313   5.253
    4    HA   MET   1           HA       MET   1 -19.745  -0.351   7.133
    5    HB2  MET   1          3HB       MET   1 -20.388   1.370   5.508
    6    HB3  MET   1          2HB       MET   1 -19.805   0.363   4.192
    7    HG2  MET   1          3HG       MET   1 -21.507  -1.304   4.707
    8    HG3  MET   1          2HG       MET   1 -22.091  -0.299   6.030
    9    HE1  MET   1          1HE       MET   1 -22.377   0.857   1.568
   10    HE2  MET   1          2HE       MET   1 -21.680  -0.653   2.158
   11    HE3  MET   1          3HE       MET   1 -20.853   0.877   2.453
   12    H    CYS   2           HN       CYS   2 -18.759  -1.266   3.835
   13    HA   CYS   2           HA       CYS   2 -18.681  -4.069   4.727
   14    HB2  CYS   2          3HB       CYS   2 -18.807  -4.568   2.252
   15    HB3  CYS   2          2HB       CYS   2 -20.237  -3.794   2.927
   16    HG   CYS   2           HG       CYS   2 -19.946  -2.657   0.464
   17    H    GLU   3           HN       GLU   3 -16.872  -1.416   3.782
   18    HA   GLU   3           HA       GLU   3 -14.420  -2.802   4.277
   19    HB2  GLU   3          3HB       GLU   3 -13.316  -2.087   2.185
   20    HB3  GLU   3          2HB       GLU   3 -14.609  -3.235   1.884
   21    HG2  GLU   3          3HG       GLU   3 -16.080  -1.331   1.275
   22    HG3  GLU   3          2HG       GLU   3 -14.687  -0.260   1.442
   23    H    PHE   4           HN       PHE   4 -12.670  -0.761   3.465
   24    HA   PHE   4           HA       PHE   4 -13.741   1.582   4.924
   25    HB2  PHE   4          3HB       PHE   4 -10.982   0.362   5.235
   26    HB3  PHE   4          2HB       PHE   4 -11.534   1.847   6.000
   27    HD1  PHE   4          1HD       PHE   4 -11.513  -1.757   6.127
   28    HD2  PHE   4          2HD       PHE   4 -13.319   1.748   7.717
   29    HE1  PHE   4          1HE       PHE   4 -12.364  -3.062   8.027
   30    HE2  PHE   4          2HE       PHE   4 -14.177   0.450   9.622
   31    HZ   PHE   4           HZ       PHE   4 -13.698  -1.960   9.779
   32    H    ILE   5           HN       ILE   5 -13.390   1.043   2.020
   33    HA   ILE   5           HA       ILE   5 -11.180   2.722   1.234
   34    HB   ILE   5           HB       ILE   5 -12.316   0.840  -0.204
   35   HG12  ILE   5          3HG1      ILE   5 -11.446   3.474  -1.410
   36   HG13  ILE   5          2HG1      ILE   5 -10.362   2.216  -0.829
   37   HG21  ILE   5          1HG2      ILE   5 -14.045   3.231  -0.804
   38   HG22  ILE   5          2HG2      ILE   5 -14.556   1.582  -0.438
   39   HG23  ILE   5          3HG2      ILE   5 -13.787   1.944  -1.977
   40   HD11  ILE   5          1HD1      ILE   5 -12.311   1.943  -3.104
   41   HD12  ILE   5          2HD1      ILE   5 -11.195   0.699  -2.536
   42   HD13  ILE   5          3HD1      ILE   5 -10.569   2.186  -3.251
   43    H    GLU   6           HN       GLU   6 -13.757   3.612   2.861
   44    HA   GLU   6           HA       GLU   6 -14.761   5.742   1.197
   45    HB2  GLU   6          3HB       GLU   6 -15.192   5.408   4.161
   46    HB3  GLU   6          2HB       GLU   6 -16.124   6.386   3.045
   47    HG2  GLU   6          3HG       GLU   6 -17.481   4.553   3.372
   48    HG3  GLU   6          2HG       GLU   6 -16.643   4.147   1.873
   49    H    ASP   7           HN       ASP   7 -12.438   6.411   0.933
   50    HA   ASP   7           HA       ASP   7 -11.631   8.276   3.055
   51    HB2  ASP   7          3HB       ASP   7  -9.924   6.642   2.254
   52    HB3  ASP   7          2HB       ASP   7 -10.030   7.366   0.655
   53    H    SER   8           HN       SER   8 -13.710   8.382   0.815
   54    HA   SER   8           HA       SER   8 -13.022  10.478  -0.924
   55    HB2  SER   8          3HB       SER   8 -15.801   9.950   0.104
   56    HB3  SER   8          2HB       SER   8 -15.316  10.515  -1.493
   57    HG   SER   8           HG       SER   8 -14.288   8.416  -1.755
   58    H    GLU   9           HN       GLU   9 -13.947  10.370   2.399
   59    HA   GLU   9           HA       GLU   9 -14.766  13.047   2.765
   60    HB2  GLU   9          3HB       GLU   9 -13.358  11.287   4.778
   61    HB3  GLU   9          2HB       GLU   9 -14.380  12.673   5.121
   62    HG2  GLU   9          3HG       GLU   9 -16.314  11.468   4.252
   63    HG3  GLU   9          2HG       GLU   9 -15.287  10.078   3.896
   64    H    ASP  10           HN       ASP  10 -11.691  11.461   2.572
   65    HA   ASP  10           HA       ASP  10  -9.594  12.193   2.176
   66    HB2  ASP  10          3HB       ASP  10 -11.023  13.900   0.780
   67    HB3  ASP  10          2HB       ASP  10 -10.495  15.042   2.011
   68    H    ILE  11           HN       ILE  11 -10.926  12.286   4.865
   69    HA   ILE  11           HA       ILE  11  -9.633  14.470   6.265
   70    HB   ILE  11           HB       ILE  11 -11.242  12.194   7.433
   71   HG12  ILE  11          3HG1      ILE  11 -12.176  14.955   6.623
   72   HG13  ILE  11          2HG1      ILE  11 -12.526  13.473   5.741
   73   HG21  ILE  11          1HG2      ILE  11 -10.570  14.922   8.534
   74   HG22  ILE  11          2HG2      ILE  11  -9.849  13.397   9.046
   75   HG23  ILE  11          3HG2      ILE  11 -11.562  13.700   9.326
   76   HD11  ILE  11          1HD1      ILE  11 -14.411  14.168   7.107
   77   HD12  ILE  11          2HD1      ILE  11 -13.401  14.097   8.552
   78   HD13  ILE  11          3HD1      ILE  11 -13.766  12.622   7.657
   79    H    GLN  12           HN       GLN  12  -9.108  11.084   5.684
   80    HA   GLN  12           HA       GLN  12  -7.567  10.450   7.945
   81    HB2  GLN  12          3HB       GLN  12  -7.700   9.274   5.183
   82    HB3  GLN  12          2HB       GLN  12  -6.567   8.661   6.378
   83    HG2  GLN  12          3HG       GLN  12  -8.413   8.139   7.878
   84    HG3  GLN  12          2HG       GLN  12  -9.558   8.778   6.699
   85   HE21  GLN  12          1HE2      GLN  12 -10.023   7.584   4.859
   86   HE22  GLN  12          2HE2      GLN  12  -9.588   5.920   4.704
   87    H    GLY  13           HN       GLY  13  -6.706  11.923   4.886
   88    HA2  GLY  13          2HA       GLY  13  -3.882  11.984   5.610
   89    HA3  GLY  13          1HA       GLY  13  -4.584  12.541   4.097
   90    H    LEU  14           HN       LEU  14  -6.436  13.710   6.572
   91    HA   LEU  14           HA       LEU  14  -6.761  15.739   7.531
   92    HB2  LEU  14          3HB       LEU  14  -3.757  15.930   7.421
   93    HB3  LEU  14          2HB       LEU  14  -4.806  16.946   8.387
   94    HG   LEU  14           HG       LEU  14  -4.518  13.960   8.739
   95   HD11  LEU  14          1HD1      LEU  14  -2.458  15.132   9.322
   96   HD12  LEU  14          2HD1      LEU  14  -3.267  14.504  10.757
   97   HD13  LEU  14          3HD1      LEU  14  -3.369  16.221  10.367
   98   HD21  LEU  14          1HD2      LEU  14  -6.689  14.763   9.442
   99   HD22  LEU  14          2HD2      LEU  14  -5.938  16.056  10.375
  100   HD23  LEU  14          3HD2      LEU  14  -5.710  14.375  10.856
  101    H    LYS  15           HN       LYS  15  -6.443  15.433   4.565
  102    HA   LYS  15           HA       LYS  15  -5.791  18.220   3.885
  103    HB2  LYS  15          3HB       LYS  15  -5.657  17.311   1.524
  104    HB3  LYS  15          2HB       LYS  15  -4.414  16.746   2.633
  105    HG2  LYS  15          3HG       LYS  15  -5.830  14.710   3.007
  106    HG3  LYS  15          2HG       LYS  15  -6.839  15.257   1.672
  107    HD2  LYS  15          3HD       LYS  15  -3.869  14.826   1.420
  108    HD3  LYS  15          2HD       LYS  15  -5.061  13.574   1.069
  109    HE2  LYS  15          3HE       LYS  15  -4.988  16.281  -0.260
  110    HE3  LYS  15          2HE       LYS  15  -4.274  14.819  -0.940
  111    HZ1  LYS  15          1HZ       LYS  15  -7.156  15.186  -0.283
  112    HZ2  LYS  15          2HZ       LYS  15  -6.458  13.799  -0.960
  113    HZ3  LYS  15          3HZ       LYS  15  -6.482  15.242  -1.839
  114    H    SER  16           HN       SER  16  -8.318  17.033   4.998
  115    HA   SER  16           HA       SER  16 -10.215  17.193   2.823
  116    HB2  SER  16          3HB       SER  16 -11.874  16.803   4.699
  117    HB3  SER  16          2HB       SER  16 -10.665  15.537   4.484
  118    HG   SER  16           HG       SER  16 -11.179  16.963   6.661
  119    H    LEU  17           HN       LEU  17  -8.584  19.547   3.797
  120    HA   LEU  17           HA       LEU  17 -10.447  21.283   5.116
  121    HB2  LEU  17          3HB       LEU  17  -7.810  21.898   3.789
  122    HB3  LEU  17          2HB       LEU  17  -8.728  23.025   4.766
  123    HG   LEU  17           HG       LEU  17  -7.376  20.494   5.698
  124   HD11  LEU  17          1HD1      LEU  17  -5.914  22.434   5.364
  125   HD12  LEU  17          2HD1      LEU  17  -6.054  22.000   7.066
  126   HD13  LEU  17          3HD1      LEU  17  -6.943  23.386   6.434
  127   HD21  LEU  17          1HD2      LEU  17  -9.159  22.381   7.235
  128   HD22  LEU  17          2HD2      LEU  17  -8.172  21.106   7.948
  129   HD23  LEU  17          3HD2      LEU  17  -9.493  20.689   6.858
  130    H    ARG  18           HN       ARG  18  -9.950  20.368   1.908
  131    HA   ARG  18           HA       ARG  18 -11.554  22.656   0.994
  132    HB2  ARG  18          3HB       ARG  18  -9.288  22.232  -0.112
  133    HB3  ARG  18          2HB       ARG  18 -10.007  20.781  -0.795
  134    HG2  ARG  18          3HG       ARG  18 -11.770  22.231  -1.807
  135    HG3  ARG  18          2HG       ARG  18 -10.848  23.627  -1.259
  136    HD2  ARG  18          3HD       ARG  18  -8.955  22.943  -2.600
  137    HD3  ARG  18          2HD       ARG  18  -9.800  21.475  -3.091
  138    HE   ARG  18           HE       ARG  18 -11.286  23.825  -3.728
  139   HH11  ARG  18          1HH1      ARG  18  -8.583  21.878  -4.805
  140   HH12  ARG  18          2HH1      ARG  18  -8.791  22.299  -6.476
  141   HH21  ARG  18          1HH2      ARG  18 -11.555  24.379  -5.919
  142   HH22  ARG  18          2HH2      ARG  18 -10.474  23.722  -7.109
  143    H    LYS  19           HN       LYS  19 -13.380  21.551   1.936
  144    HA   LYS  19           HA       LYS  19 -14.181  18.992   0.967
  145    HB2  LYS  19          3HB       LYS  19 -16.262  19.343   2.221
  146    HB3  LYS  19          2HB       LYS  19 -14.841  19.641   3.200
  147    HG2  LYS  19          3HG       LYS  19 -16.329  21.894   1.895
  148    HG3  LYS  19          2HG       LYS  19 -16.853  21.211   3.430
  149    HD2  LYS  19          3HD       LYS  19 -14.571  21.681   4.336
  150    HD3  LYS  19          2HD       LYS  19 -14.204  22.519   2.829
  151    HE2  LYS  19          3HE       LYS  19 -16.449  23.230   4.706
  152    HE3  LYS  19          2HE       LYS  19 -14.896  24.058   4.622
  153    HZ1  LYS  19          1HZ       LYS  19 -15.385  24.646   2.324
  154    HZ2  LYS  19          2HZ       LYS  19 -16.571  25.238   3.371
  155    HZ3  LYS  19          3HZ       LYS  19 -16.889  23.874   2.429
  156    H    SER  20           HN       SER  20 -14.038  19.419  -1.261
  157    HA   SER  20           HA       SER  20 -16.555  20.438  -2.368
  158    HB2  SER  20          3HB       SER  20 -15.230  21.413  -4.277
  159    HB3  SER  20          2HB       SER  20 -14.979  22.238  -2.738
  160    HG   SER  20           HG       SER  20 -13.113  21.372  -4.250
  161    H    HIS  21           HN       HIS  21 -13.517  18.702  -3.000
  162    HA   HIS  21           HA       HIS  21 -14.750  17.002  -4.983
  163    HB2  HIS  21          3HB       HIS  21 -12.561  15.927  -5.144
  164    HB3  HIS  21          2HB       HIS  21 -12.382  17.676  -5.202
  165    HD1  HIS  21          1HD       HIS  21 -11.223  14.706  -3.410
  166    HD2  HIS  21          2HD       HIS  21 -11.378  18.801  -2.706
  167    HE1  HIS  21          1HE       HIS  21  -9.649  15.125  -1.500
  168    HE2  HIS  21          2HE       HIS  21  -9.637  17.624  -1.202
  169    H    THR  22           HN       THR  22 -14.953  17.137  -1.745
  170    HA   THR  22           HA       THR  22 -14.466  14.565  -0.734
  171    HB   THR  22           HB       THR  22 -16.701  15.233   0.662
  172    HG1  THR  22          1HG       THR  22 -17.210  17.276   0.395
  173   HG21  THR  22          1HG2      THR  22 -15.207  16.349   2.249
  174   HG22  THR  22          2HG2      THR  22 -13.959  16.463   1.011
  175   HG23  THR  22          3HG2      THR  22 -14.472  14.885   1.602
  176    H    SER  23           HN       SER  23 -17.777  15.644  -1.779
  177    HA   SER  23           HA       SER  23 -18.085  12.942  -2.894
  178    HB2  SER  23          3HB       SER  23 -19.732  13.549  -1.112
  179    HB3  SER  23          2HB       SER  23 -20.261  14.901  -2.110
  180    HG   SER  23           HG       SER  23 -20.244  12.264  -3.144
  181    H    LEU  24           HN       LEU  24 -17.985  12.869  -5.051
  182    HA   LEU  24           HA       LEU  24 -18.892  15.092  -6.674
  183    HB2  LEU  24          3HB       LEU  24 -16.451  15.473  -5.739
  184    HB3  LEU  24          2HB       LEU  24 -16.011  14.354  -7.011
  185    HG   LEU  24           HG       LEU  24 -15.720  16.727  -7.643
  186   HD11  LEU  24          1HD1      LEU  24 -16.060  15.086  -9.388
  187   HD12  LEU  24          2HD1      LEU  24 -16.840  16.610  -9.811
  188   HD13  LEU  24          3HD1      LEU  24 -17.809  15.254  -9.234
  189   HD21  LEU  24          1HD2      LEU  24 -17.639  18.139  -8.047
  190   HD22  LEU  24          2HD2      LEU  24 -17.603  17.636  -6.358
  191   HD23  LEU  24          3HD2      LEU  24 -18.726  16.871  -7.483
  192    H    GLU  25           HN       GLU  25 -17.314  11.976  -6.392
  193    HA   GLU  25           HA       GLU  25 -17.726  11.406  -9.215
  194    HB2  GLU  25          3HB       GLU  25 -15.603  10.800  -7.931
  195    HB3  GLU  25          2HB       GLU  25 -16.561   9.559  -7.138
  196    HG2  GLU  25          3HG       GLU  25 -15.319   8.610  -8.973
  197    HG3  GLU  25          2HG       GLU  25 -17.047   8.555  -9.317
  198    H    ASP  26           HN       ASP  26 -19.984  11.402  -9.192
  199    HA   ASP  26           HA       ASP  26 -22.060  10.482  -9.119
  200    HB2  ASP  26          3HB       ASP  26 -20.731   8.369  -9.694
  201    HB3  ASP  26          2HB       ASP  26 -20.811   7.973  -7.983
  202    H    ASP  27           HN       ASP  27 -23.128   8.679  -7.092
  203    HA   ASP  27           HA       ASP  27 -23.131  10.540  -4.859
  204    HB2  ASP  27          3HB       ASP  27 -25.318   9.855  -5.522
  205    HB3  ASP  27          2HB       ASP  27 -24.847   8.159  -5.532
  206    H    ASP  28           HN       ASP  28 -22.062   7.431  -5.703
  207    HA   ASP  28           HA       ASP  28 -21.744   6.434  -3.054
  208    HB2  ASP  28          3HB       ASP  28 -22.168   4.849  -4.800
  209    HB3  ASP  28          2HB       ASP  28 -20.765   5.404  -5.708
  210    H    ASP  29           HN       ASP  29 -19.567   7.643  -5.479
  211    HA   ASP  29           HA       ASP  29 -17.457   8.472  -5.441
  212    HB2  ASP  29          3HB       ASP  29 -18.233   8.939  -2.570
  213    HB3  ASP  29          2HB       ASP  29 -16.653   9.401  -3.188
  214    H    GLY  30           HN       GLY  30 -18.051   5.553  -4.606
  215    HA2  GLY  30          2HA       GLY  30 -16.036   4.782  -2.766
  216    HA3  GLY  30          1HA       GLY  30 -16.923   3.709  -3.837
  217    H    SER  31           HN       SER  31 -15.811   5.691  -6.015
  218    HA   SER  31           HA       SER  31 -13.372   4.164  -6.474
  219    HB2  SER  31          3HB       SER  31 -13.508   5.354  -8.735
  220    HB3  SER  31          2HB       SER  31 -14.803   4.213  -8.367
  221    HG   SER  31           HG       SER  31 -15.738   6.085  -9.130
  222    H    ARG  32           HN       ARG  32 -13.952   6.666  -4.655
  223    HA   ARG  32           HA       ARG  32 -11.458   8.037  -5.397
  224    HB2  ARG  32          3HB       ARG  32 -13.982   9.328  -4.340
  225    HB3  ARG  32          2HB       ARG  32 -12.448  10.154  -4.573
  226    HG2  ARG  32          3HG       ARG  32 -14.060   8.860  -6.761
  227    HG3  ARG  32          2HG       ARG  32 -14.061  10.582  -6.379
  228    HD2  ARG  32          3HD       ARG  32 -11.702  10.727  -6.892
  229    HD3  ARG  32          2HD       ARG  32 -11.630   8.991  -7.180
  230    HE   ARG  32           HE       ARG  32 -13.557   9.994  -8.893
  231   HH11  ARG  32          1HH1      ARG  32 -10.133  10.436  -8.352
  232   HH12  ARG  32          2HH1      ARG  32  -9.780  10.763 -10.018
  233   HH21  ARG  32          1HH2      ARG  32 -13.113  10.429 -11.073
  234   HH22  ARG  32          2HH2      ARG  32 -11.477  10.763 -11.571
  235    H    GLY  33           HN       GLY  33 -10.199   7.007  -3.882
  236    HA2  GLY  33          2HA       GLY  33 -10.563   8.004  -1.172
  237    HA3  GLY  33          1HA       GLY  33 -10.609   6.255  -1.349
  238    H    GLY  34           HN       GLY  34  -8.610   8.786  -2.852
  239    HA2  GLY  34          2HA       GLY  34  -6.320   9.075  -2.888
  240    HA3  GLY  34          1HA       GLY  34  -6.232   8.042  -1.466
  241    H    ASP  35           HN       ASP  35  -7.889   6.716  -4.094
  242    HA   ASP  35           HA       ASP  35  -5.817   4.703  -4.421
  243    HB2  ASP  35          3HB       ASP  35  -7.566   3.437  -5.597
  244    HB3  ASP  35          2HB       ASP  35  -8.144   3.998  -4.029
  245    H    CYS  36           HN       CYS  36  -6.447   7.577  -5.795
  246    HA   CYS  36           HA       CYS  36  -6.354   7.129  -8.569
  247    HB2  CYS  36          3HB       CYS  36  -6.855   9.364  -7.659
  248    HB3  CYS  36          2HB       CYS  36  -5.210   9.491  -7.033
  249    HG   CYS  36           HG       CYS  36  -4.017  10.166  -9.244
  250    H    GLU  37           HN       GLU  37  -4.937   5.607  -9.218
  251    HA   GLU  37           HA       GLU  37  -2.985   4.881 -10.164
  252    HB2  GLU  37          3HB       GLU  37  -2.268   7.196 -10.504
  253    HB3  GLU  37          2HB       GLU  37  -1.731   7.293  -8.834
  254    HG2  GLU  37          3HG       GLU  37  -0.086   5.499  -9.322
  255    HG3  GLU  37          2HG       GLU  37  -0.568   5.583 -11.016
  256    H    GLY  38           HN       GLY  38  -3.417   5.616  -6.878
  257    HA2  GLY  38          2HA       GLY  38  -3.085   3.482  -5.547
  258    HA3  GLY  38          1HA       GLY  38  -1.407   3.638  -6.078
  259    H    CYS  39           HN       CYS  39  -2.629   3.749  -3.319
  260    HA   CYS  39           HA       CYS  39  -2.256   6.493  -2.495
  261    HB2  CYS  39          3HB       CYS  39  -2.651   5.559  -0.209
  262    HB3  CYS  39          2HB       CYS  39  -3.942   5.197  -1.348
  263    H    SER  40           HN       SER  40  -0.031   5.686  -3.770
  264    HA   SER  40           HA       SER  40   1.865   4.370  -2.073
  265    HB2  SER  40          3HB       SER  40   1.965   4.130  -4.478
  266    HB3  SER  40          2HB       SER  40   2.248   5.853  -4.681
  267    HG   SER  40           HG       SER  40   4.259   5.629  -3.848
  268    H    GLY  41           HN       GLY  41   0.814   7.562  -2.558
  269    HA2  GLY  41          2HA       GLY  41   3.103   8.839  -1.311
  270    HA3  GLY  41          1HA       GLY  41   1.519   9.580  -1.482
  271    H    THR  42           HN       THR  42   1.314   6.518  -0.035
  272    HA   THR  42           HA       THR  42   1.305   7.760   2.642
  273    HB   THR  42           HB       THR  42  -0.272   5.343   1.728
  274    HG1  THR  42          1HG       THR  42  -0.866   8.089   1.832
  275   HG21  THR  42          1HG2      THR  42   0.256   5.326   4.120
  276   HG22  THR  42          2HG2      THR  42  -1.464   5.613   3.857
  277   HG23  THR  42          3HG2      THR  42  -0.402   6.955   4.282
  278    H    ALA  43           HN       ALA  43   2.784   7.010   4.017
  279    HA   ALA  43           HA       ALA  43   4.460   4.781   3.156
  280    HB1  ALA  43          1HB       ALA  43   4.803   6.687   5.478
  281    HB2  ALA  43          2HB       ALA  43   5.527   6.876   3.882
  282    HB3  ALA  43          3HB       ALA  43   5.989   5.514   4.902
  283    H    CYS  44           HN       CYS  44   4.143   2.894   3.756
  284    HA   CYS  44           HA       CYS  44   2.699   2.276   6.230
  285    HB2  CYS  44          3HB       CYS  44   2.618  -0.007   5.138
  286    HB3  CYS  44          2HB       CYS  44   1.720   1.271   4.319
  287    H    SER  45           HN       SER  45   3.737   1.332   7.867
  288    HA   SER  45           HA       SER  45   6.318   0.068   7.383
  289    HB2  SER  45          3HB       SER  45   4.793  -0.133   9.994
  290    HB3  SER  45          2HB       SER  45   6.532  -0.182   9.718
  291    HG   SER  45           HG       SER  45   5.669   2.139   8.789
  292    H    SER  46           HN       SER  46   2.938  -0.704   7.905
  293    HA   SER  46           HA       SER  46   3.550  -3.526   7.369
  294    HB2  SER  46          3HB       SER  46   1.319  -4.003   8.419
  295    HB3  SER  46          2HB       SER  46   2.506  -3.323   9.527
  296    HG   SER  46           HG       SER  46   0.250  -2.416   9.465
  297    H    ASP  47           HN       ASP  47   2.507  -4.577   5.709
  298    HA   ASP  47           HA       ASP  47   1.289  -3.114   3.649
  299    HB2  ASP  47          3HB       ASP  47   0.999  -5.164   2.551
  300    HB3  ASP  47          2HB       ASP  47   2.446  -5.394   3.521
  301    H    ALA  48           HN       ALA  48  -0.088  -4.295   6.589
  302    HA   ALA  48           HA       ALA  48  -2.526  -5.104   5.627
  303    HB1  ALA  48          1HB       ALA  48  -3.268  -5.027   7.954
  304    HB2  ALA  48          2HB       ALA  48  -1.814  -4.123   8.377
  305    HB3  ALA  48          3HB       ALA  48  -1.683  -5.782   7.798
  306    H    GLN  49           HN       GLN  49  -1.285  -1.943   6.381
  307    HA   GLN  49           HA       GLN  49  -3.912  -0.781   6.614
  308    HB2  GLN  49          3HB       GLN  49  -2.762   1.351   6.948
  309    HB3  GLN  49          2HB       GLN  49  -2.149   0.115   8.032
  310    HG2  GLN  49          3HG       GLN  49  -0.162  -0.134   6.718
  311    HG3  GLN  49          2HG       GLN  49  -0.801   0.936   5.472
  312   HE21  GLN  49          1HE2      GLN  49  -1.270   1.573   8.863
  313   HE22  GLN  49          2HE2      GLN  49  -0.203   2.932   8.954
  314    H    CYS  50           HN       CYS  50  -1.609  -1.393   4.138
  315    HA   CYS  50           HA       CYS  50  -2.731   0.649   2.368
  316    HB2  CYS  50          3HB       CYS  50  -0.988  -1.574   1.385
  317    HB3  CYS  50          2HB       CYS  50  -1.122   0.072   0.793
  318    H    ARG  51           HN       ARG  51  -2.568  -2.831   2.701
  319    HA   ARG  51           HA       ARG  51  -4.460  -3.696   0.935
  320    HB2  ARG  51          3HB       ARG  51  -3.334  -5.315   2.200
  321    HB3  ARG  51          2HB       ARG  51  -3.678  -4.507   3.721
  322    HG2  ARG  51          3HG       ARG  51  -4.928  -6.551   3.532
  323    HG3  ARG  51          2HG       ARG  51  -5.986  -5.136   3.552
  324    HD2  ARG  51          3HD       ARG  51  -6.439  -5.310   1.249
  325    HD3  ARG  51          2HD       ARG  51  -5.084  -6.411   0.981
  326    HE   ARG  51           HE       ARG  51  -6.960  -7.546   2.783
  327   HH11  ARG  51          1HH1      ARG  51  -6.558  -6.791  -0.608
  328   HH12  ARG  51          2HH1      ARG  51  -7.546  -8.111  -1.150
  329   HH21  ARG  51          1HH2      ARG  51  -8.268  -9.274   2.077
  330   HH22  ARG  51          2HH2      ARG  51  -8.511  -9.526   0.377
  331    H    ALA  52           HN       ALA  52  -4.995  -2.437   4.233
  332    HA   ALA  52           HA       ALA  52  -7.814  -2.424   4.094
  333    HB1  ALA  52          1HB       ALA  52  -6.576  -2.326   6.209
  334    HB2  ALA  52          2HB       ALA  52  -7.731  -1.001   6.064
  335    HB3  ALA  52          3HB       ALA  52  -6.013  -0.706   5.797
  336    H    ARG  53           HN       ARG  53  -5.374  -0.189   2.998
  337    HA   ARG  53           HA       ARG  53  -7.175   1.975   2.570
  338    HB2  ARG  53          3HB       ARG  53  -4.346   1.484   1.778
  339    HB3  ARG  53          2HB       ARG  53  -5.235   2.825   1.076
  340    HG2  ARG  53          3HG       ARG  53  -4.762   2.386   4.018
  341    HG3  ARG  53          2HG       ARG  53  -3.872   3.507   2.989
  342    HD2  ARG  53          3HD       ARG  53  -6.811   3.611   3.655
  343    HD3  ARG  53          2HD       ARG  53  -5.559   4.707   4.232
  344    HE   ARG  53           HE       ARG  53  -5.872   4.557   1.356
  345   HH11  ARG  53          1HH1      ARG  53  -6.721   6.226   4.310
  346   HH12  ARG  53          2HH1      ARG  53  -7.213   7.679   3.497
  347   HH21  ARG  53          1HH2      ARG  53  -6.508   6.470   0.282
  348   HH22  ARG  53          2HH2      ARG  53  -7.096   7.822   1.204
  349    H    GLY  54           HN       GLY  54  -7.326  -0.843   1.153
  350    HA2  GLY  54          2HA       GLY  54  -8.466  -1.493  -0.751
  351    HA3  GLY  54          1HA       GLY  54  -8.651   0.205  -1.171
  352    H    CYS  55           HN       CYS  55  -5.566   0.154  -0.644
  353    HA   CYS  55           HA       CYS  55  -4.826  -0.022  -3.369
  354    HB2  CYS  55          3HB       CYS  55  -3.218   0.419  -0.860
  355    HB3  CYS  55          2HB       CYS  55  -2.438   0.208  -2.428
  356    H    ASP  56           HN       ASP  56  -2.985  -1.948  -0.899
  357    HA   ASP  56           HA       ASP  56  -3.814  -4.465  -1.743
  358    HB2  ASP  56          3HB       ASP  56  -3.012  -3.996  -3.951
  359    HB3  ASP  56          2HB       ASP  56  -1.529  -3.303  -3.320
  360    H    GLY  57           HN       GLY  57  -0.632  -2.792  -1.344
  361    HA2  GLY  57          2HA       GLY  57  -0.335  -3.912   1.273
  362    HA3  GLY  57          1HA       GLY  57   0.606  -4.782   0.071
  363    H    CYS  58           HN       CYS  58   1.985  -3.805   1.916
  364    HA   CYS  58           HA       CYS  58   3.045  -1.200   1.334
  365    HB2  CYS  58          3HB       CYS  58   2.973  -2.447   3.633
  366    HB3  CYS  58          2HB       CYS  58   4.413  -3.263   3.040
  367    H    SER  59           HN       SER  59   4.693  -0.795  -0.018
  368    HA   SER  59           HA       SER  59   5.995  -3.037  -1.325
  369    HB2  SER  59          3HB       SER  59   5.273  -0.912  -2.540
  370    HB3  SER  59          2HB       SER  59   6.590  -0.092  -1.707
  371    HG   SER  59           HG       SER  59   7.063  -2.442  -3.197
  372    H    THR  60           HN       THR  60   8.418  -3.199  -1.318
  373    HA   THR  60           HA       THR  60   9.305  -3.423   1.309
  374    HB   THR  60           HB       THR  60  11.635  -3.527   0.013
  375    HG1  THR  60          1HG       THR  60  11.119  -4.265  -2.157
  376   HG21  THR  60          1HG2      THR  60  11.135  -5.892  -0.443
  377   HG22  THR  60          2HG2      THR  60   9.420  -5.570  -0.199
  378   HG23  THR  60          3HG2      THR  60  10.549  -5.396   1.144
  379    H    SER  61           HN       SER  61   9.078  -0.401  -0.145
  380    HA   SER  61           HA       SER  61  11.286   0.572   1.503
  381    HB2  SER  61          3HB       SER  61  11.470   0.884  -1.028
  382    HB3  SER  61          2HB       SER  61  10.151   2.042  -0.873
  383    HG   SER  61           HG       SER  61  12.791   2.327  -0.298
  384    H    GLY  62           HN       GLY  62   8.354   0.062   2.112
  385    HA2  GLY  62          2HA       GLY  62   6.915   1.015   3.618
  386    HA3  GLY  62          1HA       GLY  62   8.065   2.323   3.805
  387    H    VAL  63           HN       VAL  63   6.157   1.241   0.988
  388    HA   VAL  63           HA       VAL  63   4.614   3.726   1.185
  389    HB   VAL  63           HB       VAL  63   4.647   4.007  -1.286
  390   HG11  VAL  63          1HG1      VAL  63   6.877   4.989  -1.433
  391   HG12  VAL  63          2HG1      VAL  63   7.361   4.112   0.019
  392   HG13  VAL  63          3HG1      VAL  63   6.112   5.354   0.112
  393   HG21  VAL  63          1HG2      VAL  63   5.247   1.721  -1.906
  394   HG22  VAL  63          2HG2      VAL  63   6.853   1.964  -1.222
  395   HG23  VAL  63          3HG2      VAL  63   6.344   2.901  -2.623
  396    H    CYS  64           HN       CYS  64   2.539   3.602  -0.020
  397    HA   CYS  64           HA       CYS  64   1.509   0.874   0.497
  398    HB2  CYS  64          3HB       CYS  64   0.332   3.576   1.038
  399    HB3  CYS  64          2HB       CYS  64  -0.766   2.283   0.616
  400    H    VAL  65           HN       VAL  65   0.927  -0.288  -1.218
  401    HA   VAL  65           HA       VAL  65   0.187   1.026  -3.728
  402    HB   VAL  65           HB       VAL  65   2.143   0.405  -4.951
  403   HG11  VAL  65          1HG1      VAL  65   3.054   1.400  -2.275
  404   HG12  VAL  65          2HG1      VAL  65   2.466   2.400  -3.607
  405   HG13  VAL  65          3HG1      VAL  65   3.976   1.502  -3.778
  406   HG21  VAL  65          1HG2      VAL  65   3.850  -1.035  -4.212
  407   HG22  VAL  65          2HG2      VAL  65   2.342  -1.820  -3.727
  408   HG23  VAL  65          3HG2      VAL  65   3.310  -0.948  -2.539
  409    H    LEU  66           HN       LEU  66   0.256  -0.755  -5.571
  410    HA   LEU  66           HA       LEU  66  -0.529  -3.377  -4.694
  411    HB2  LEU  66          3HB       LEU  66  -1.113  -2.246  -6.923
  412    HB3  LEU  66          2HB       LEU  66   0.531  -2.610  -7.407
  413    HG   LEU  66           HG       LEU  66  -1.410  -4.751  -6.540
  414   HD11  LEU  66          1HD1      LEU  66  -0.847  -3.745  -9.323
  415   HD12  LEU  66          2HD1      LEU  66  -2.366  -3.581  -8.440
  416   HD13  LEU  66          3HD1      LEU  66  -1.791  -5.180  -8.917
  417   HD21  LEU  66          1HD2      LEU  66   0.962  -5.364  -6.500
  418   HD22  LEU  66          2HD2      LEU  66   1.119  -4.858  -8.182
  419   HD23  LEU  66          3HD2      LEU  66   0.088  -6.228  -7.766
  420    H    SER  67           HN       SER  67   0.992  -4.633  -3.646
  421    HA   SER  67           HA       SER  67   3.608  -3.801  -3.258
  422    HB2  SER  67          3HB       SER  67   2.798  -6.722  -3.156
  423    HB3  SER  67          2HB       SER  67   3.972  -5.873  -2.153
  424    HG   SER  67           HG       SER  67   1.144  -5.531  -2.150
  425    H    SER  68           HN       SER  68   5.629  -4.192  -4.418
  426    HA   SER  68           HA       SER  68   5.269  -5.097  -7.130
  427    HB2  SER  68          3HB       SER  68   7.798  -4.160  -5.758
  428    HB3  SER  68          2HB       SER  68   7.504  -4.252  -7.494
  429    HG   SER  68           HG       SER  68   5.761  -2.706  -7.100
  430    H    LEU  69           HN       LEU  69   4.712  -7.293  -6.262
  431    HA   LEU  69           HA       LEU  69   7.009  -8.882  -5.419
  432    HB2  LEU  69          3HB       LEU  69   4.079  -9.571  -5.647
  433    HB3  LEU  69          2HB       LEU  69   5.318 -10.667  -5.075
  434    HG   LEU  69           HG       LEU  69   4.510  -8.085  -3.737
  435   HD11  LEU  69          1HD1      LEU  69   3.598  -9.538  -2.003
  436   HD12  LEU  69          2HD1      LEU  69   4.019 -10.954  -2.965
  437   HD13  LEU  69          3HD1      LEU  69   2.809  -9.817  -3.556
  438   HD21  LEU  69          1HD2      LEU  69   6.473 -10.217  -2.900
  439   HD22  LEU  69          2HD2      LEU  69   5.947  -8.862  -1.902
  440   HD23  LEU  69          3HD2      LEU  69   6.864  -8.565  -3.379
  441    H    HIS  70           HN       HIS  70   7.679 -10.724  -6.533
  442    HA   HIS  70           HA       HIS  70   7.381 -10.438  -9.390
  443    HB2  HIS  70          3HB       HIS  70   9.155 -12.229  -9.494
  444    HB3  HIS  70          2HB       HIS  70   9.632 -10.735  -8.704
  445    HD1  HIS  70          1HD       HIS  70   9.183 -14.368  -8.112
  446    HD2  HIS  70          2HD       HIS  70  10.055 -10.959  -5.905
  447    HE1  HIS  70          1HE       HIS  70  10.064 -15.197  -5.909
  448    HE2  HIS  70          2HE       HIS  70  10.722 -13.116  -4.652
  449    H    HIS  71           HN       HIS  71   5.298 -11.099  -9.767
  450    HA   HIS  71           HA       HIS  71   4.587 -13.857  -9.128
  451    HB2  HIS  71          3HB       HIS  71   2.997 -11.618 -10.394
  452    HB3  HIS  71          2HB       HIS  71   2.377 -13.244 -10.148
  453    HD1  HIS  71          1HD       HIS  71   1.789 -13.937  -7.722
  454    HD2  HIS  71          2HD       HIS  71   3.129 -10.026  -8.117
  455    HE1  HIS  71          1HE       HIS  71   1.218 -12.804  -5.552
  456    HE2  HIS  71          2HE       HIS  71   1.791 -10.382  -5.939
  457    H    HIS  72           HN       HIS  72   6.573 -14.211 -10.664
  458    HA   HIS  72           HA       HIS  72   5.541 -14.527 -13.406
  459    HB2  HIS  72          3HB       HIS  72   8.376 -14.169 -12.416
  460    HB3  HIS  72          2HB       HIS  72   7.994 -14.698 -14.048
  461    HD1  HIS  72          1HD       HIS  72   8.419 -12.776 -15.552
  462    HD2  HIS  72          2HD       HIS  72   6.569 -11.597 -12.018
  463    HE1  HIS  72          1HE       HIS  72   8.009 -10.306 -15.790
  464    HE2  HIS  72          2HE       HIS  72   7.023  -9.590 -13.586
  465    H    HIS  73           HN       HIS  73   6.522 -16.433 -14.556
  466    HA   HIS  73           HA       HIS  73   6.944 -18.645 -14.792
  467    HB2  HIS  73          3HB       HIS  73   7.808 -18.468 -11.904
  468    HB3  HIS  73          2HB       HIS  73   7.915 -19.939 -12.860
  469    HD1  HIS  73          1HD       HIS  73  10.169 -20.300 -13.763
  470    HD2  HIS  73          2HD       HIS  73   9.299 -16.255 -13.395
  471    HE1  HIS  73          1HE       HIS  73  12.253 -19.092 -14.483
  472    HE2  HIS  73          2HE       HIS  73  11.762 -16.660 -14.064
  473    H    HIS  74           HN       HIS  74   4.522 -17.377 -13.134
  474    HA   HIS  74           HA       HIS  74   2.500 -18.050 -12.374
  475    HB2  HIS  74          3HB       HIS  74   3.184 -20.386 -14.152
  476    HB3  HIS  74          2HB       HIS  74   1.624 -20.218 -13.357
  477    HD1  HIS  74          1HD       HIS  74   3.496 -19.172 -16.322
  478    HD2  HIS  74          2HD       HIS  74   0.140 -17.886 -14.234
  479    HE1  HIS  74          1HE       HIS  74   2.275 -17.630 -17.887
  480    HE2  HIS  74          2HE       HIS  74   0.376 -16.702 -16.518
  481    H    HIS  75           HN       HIS  75   4.418 -18.409 -10.483
  482    HA   HIS  75           HA       HIS  75   4.170 -21.137  -9.481
  483    HB2  HIS  75          3HB       HIS  75   5.936 -20.640  -7.944
  484    HB3  HIS  75          2HB       HIS  75   6.409 -20.011  -9.513
  485    HD1  HIS  75          1HD       HIS  75   6.326 -17.354  -9.779
  486    HD2  HIS  75          2HD       HIS  75   5.857 -18.804  -5.906
  487    HE1  HIS  75          1HE       HIS  75   6.730 -15.392  -8.261
  488    HE2  HIS  75          2HE       HIS  75   6.448 -16.287  -5.925
  Start of MODEL    5
    1    H1   MET   1          1HT       MET   1 -15.431   6.610   9.298
    2    H2   MET   1          2HT       MET   1 -13.844   6.039   9.380
    3    H3   MET   1          3HT       MET   1 -15.083   5.016   8.855
    4    HA   MET   1           HA       MET   1 -15.441   6.378   6.917
    5    HB2  MET   1          3HB       MET   1 -14.638   8.478   8.057
    6    HB3  MET   1          2HB       MET   1 -12.994   7.903   7.826
    7    HG2  MET   1          3HG       MET   1 -13.276   7.966   5.424
    8    HG3  MET   1          2HG       MET   1 -14.962   8.446   5.614
    9    HE1  MET   1          1HE       MET   1 -13.233  10.119   3.722
   10    HE2  MET   1          2HE       MET   1 -13.550  11.767   4.259
   11    HE3  MET   1          3HE       MET   1 -14.866  10.595   4.187
   12    H    CYS   2           HN       CYS   2 -11.996   6.285   7.828
   13    HA   CYS   2           HA       CYS   2 -10.230   5.147   6.992
   14    HB2  CYS   2          3HB       CYS   2 -12.344   3.001   6.874
   15    HB3  CYS   2          2HB       CYS   2 -10.642   2.693   6.548
   16    HG   CYS   2           HG       CYS   2 -12.153   3.426   9.498
   17    H    GLU   3           HN       GLU   3 -11.297   6.815   5.160
   18    HA   GLU   3           HA       GLU   3 -10.107   5.941   2.796
   19    HB2  GLU   3          3HB       GLU   3 -12.093   4.519   2.520
   20    HB3  GLU   3          2HB       GLU   3 -13.135   5.926   2.690
   21    HG2  GLU   3          3HG       GLU   3 -12.810   5.171   0.350
   22    HG3  GLU   3          2HG       GLU   3 -12.351   6.849   0.638
   23    H    PHE   4           HN       PHE   4  -9.371   7.759   1.963
   24    HA   PHE   4           HA       PHE   4 -10.689  10.255   2.782
   25    HB2  PHE   4          3HB       PHE   4  -7.978   9.957   1.455
   26    HB3  PHE   4          2HB       PHE   4  -8.624  11.371   2.280
   27    HD1  PHE   4          1HD       PHE   4  -9.039  11.267   4.742
   28    HD2  PHE   4          2HD       PHE   4  -6.864   8.263   2.663
   29    HE1  PHE   4          1HE       PHE   4  -8.077  10.498   6.869
   30    HE2  PHE   4          2HE       PHE   4  -5.900   7.484   4.787
   31    HZ   PHE   4           HZ       PHE   4  -6.509   8.604   6.896
   32    H    ILE   5           HN       ILE   5 -10.758   8.259   0.080
   33    HA   ILE   5           HA       ILE   5 -10.968  10.353  -1.883
   34    HB   ILE   5           HB       ILE   5 -10.425   7.837  -2.341
   35   HG12  ILE   5          3HG1      ILE   5 -11.381   8.040  -4.644
   36   HG13  ILE   5          2HG1      ILE   5 -12.279   9.454  -4.102
   37   HG21  ILE   5          1HG2      ILE   5 -13.425   7.803  -2.189
   38   HG22  ILE   5          2HG2      ILE   5 -12.275   6.625  -1.554
   39   HG23  ILE   5          3HG2      ILE   5 -12.565   6.727  -3.285
   40   HD11  ILE   5          1HD1      ILE   5  -9.284   9.192  -4.157
   41   HD12  ILE   5          2HD1      ILE   5 -10.194  10.618  -3.654
   42   HD13  ILE   5          3HD1      ILE   5 -10.270  10.067  -5.327
   43    H    GLU   6           HN       GLU   6 -12.987   9.811   0.624
   44    HA   GLU   6           HA       GLU   6 -15.449   9.985  -0.939
   45    HB2  GLU   6          3HB       GLU   6 -14.990   9.462   1.989
   46    HB3  GLU   6          2HB       GLU   6 -16.572   9.723   1.273
   47    HG2  GLU   6          3HG       GLU   6 -16.145   7.789  -0.233
   48    HG3  GLU   6          2HG       GLU   6 -14.658   7.486   0.663
   49    H    ASP   7           HN       ASP   7 -14.122  12.177  -1.271
   50    HA   ASP   7           HA       ASP   7 -15.576  14.169   0.343
   51    HB2  ASP   7          3HB       ASP   7 -12.769  14.147  -0.633
   52    HB3  ASP   7          2HB       ASP   7 -13.624  15.684  -0.716
   53    H    SER   8           HN       SER   8 -16.300  12.656  -2.066
   54    HA   SER   8           HA       SER   8 -16.067  14.423  -4.315
   55    HB2  SER   8          3HB       SER   8 -17.808  11.967  -4.044
   56    HB3  SER   8          2HB       SER   8 -17.213  12.700  -5.533
   57    HG   SER   8           HG       SER   8 -15.045  12.252  -4.317
   58    H    GLU   9           HN       GLU   9 -18.027  14.443  -1.646
   59    HA   GLU   9           HA       GLU   9 -20.554  15.043  -2.715
   60    HB2  GLU   9          3HB       GLU   9 -21.038  16.057  -0.512
   61    HB3  GLU   9          2HB       GLU   9 -20.314  14.463  -0.379
   62    HG2  GLU   9          3HG       GLU   9 -18.220  15.374   0.272
   63    HG3  GLU   9          2HG       GLU   9 -18.736  17.010  -0.131
   64    H    ASP  10           HN       ASP  10 -17.841  17.122  -1.806
   65    HA   ASP  10           HA       ASP  10 -17.358  19.301  -2.146
   66    HB2  ASP  10          3HB       ASP  10 -18.936  18.642  -4.602
   67    HB3  ASP  10          2HB       ASP  10 -18.399  20.294  -4.321
   68    H    ILE  11           HN       ILE  11 -19.881  18.509  -0.682
   69    HA   ILE  11           HA       ILE  11 -21.669  20.739  -1.094
   70    HB   ILE  11           HB       ILE  11 -21.675  18.599   1.044
   71   HG12  ILE  11          3HG1      ILE  11 -23.320  18.885  -1.479
   72   HG13  ILE  11          2HG1      ILE  11 -22.015  17.730  -1.235
   73   HG21  ILE  11          1HG2      ILE  11 -23.977  19.295   1.493
   74   HG22  ILE  11          2HG2      ILE  11 -23.814  20.603   0.319
   75   HG23  ILE  11          3HG2      ILE  11 -22.840  20.612   1.790
   76   HD11  ILE  11          1HD1      ILE  11 -24.601  17.813   0.302
   77   HD12  ILE  11          2HD1      ILE  11 -23.299  16.645   0.526
   78   HD13  ILE  11          3HD1      ILE  11 -24.195  16.685  -0.991
   79    H    GLN  12           HN       GLN  12 -18.950  19.981   0.864
   80    HA   GLN  12           HA       GLN  12 -19.513  21.797   3.002
   81    HB2  GLN  12          3HB       GLN  12 -16.891  20.569   2.138
   82    HB3  GLN  12          2HB       GLN  12 -17.124  21.497   3.608
   83    HG2  GLN  12          3HG       GLN  12 -18.191  18.777   2.932
   84    HG3  GLN  12          2HG       GLN  12 -17.139  19.252   4.254
   85   HE21  GLN  12          1HE2      GLN  12 -20.357  18.900   3.166
   86   HE22  GLN  12          2HE2      GLN  12 -21.146  19.374   4.634
   87    H    GLY  13           HN       GLY  13 -18.584  22.186  -0.179
   88    HA2  GLY  13          2HA       GLY  13 -16.932  24.467  -0.069
   89    HA3  GLY  13          1HA       GLY  13 -17.958  24.012  -1.421
   90    H    LEU  14           HN       LEU  14 -20.317  24.068   0.477
   91    HA   LEU  14           HA       LEU  14 -21.944  25.486   1.163
   92    HB2  LEU  14          3HB       LEU  14 -20.189  26.145   2.788
   93    HB3  LEU  14          2HB       LEU  14 -19.677  27.408   1.687
   94    HG   LEU  14           HG       LEU  14 -21.902  28.472   1.912
   95   HD11  LEU  14          1HD1      LEU  14 -23.383  27.743   3.731
   96   HD12  LEU  14          2HD1      LEU  14 -22.363  26.325   3.972
   97   HD13  LEU  14          3HD1      LEU  14 -23.237  26.535   2.456
   98   HD21  LEU  14          1HD2      LEU  14 -21.569  29.316   4.176
   99   HD22  LEU  14          2HD2      LEU  14 -20.040  29.198   3.304
  100   HD23  LEU  14          3HD2      LEU  14 -20.463  27.985   4.514
  101    H    LYS  15           HN       LYS  15 -21.871  25.352  -1.464
  102    HA   LYS  15           HA       LYS  15 -21.570  27.943  -2.689
  103    HB2  LYS  15          3HB       LYS  15 -22.321  26.883  -4.728
  104    HB3  LYS  15          2HB       LYS  15 -21.129  25.857  -3.941
  105    HG2  LYS  15          3HG       LYS  15 -22.925  24.440  -3.077
  106    HG3  LYS  15          2HG       LYS  15 -24.117  25.468  -3.871
  107    HD2  LYS  15          3HD       LYS  15 -21.924  23.952  -5.284
  108    HD3  LYS  15          2HD       LYS  15 -23.597  23.412  -5.149
  109    HE2  LYS  15          3HE       LYS  15 -24.359  25.348  -6.382
  110    HE3  LYS  15          2HE       LYS  15 -22.721  25.994  -6.433
  111    HZ1  LYS  15          1HZ       LYS  15 -22.045  24.112  -7.768
  112    HZ2  LYS  15          2HZ       LYS  15 -23.333  24.920  -8.509
  113    HZ3  LYS  15          3HZ       LYS  15 -23.604  23.461  -7.699
  114    H    SER  16           HN       SER  16 -23.782  26.877  -0.604
  115    HA   SER  16           HA       SER  16 -26.121  27.980  -1.919
  116    HB2  SER  16          3HB       SER  16 -25.766  26.868   0.877
  117    HB3  SER  16          2HB       SER  16 -27.304  27.330   0.146
  118    HG   SER  16           HG       SER  16 -26.404  25.753  -1.602
  119    H    LEU  17           HN       LEU  17 -23.538  29.034  -0.020
  120    HA   LEU  17           HA       LEU  17 -24.981  31.511   0.637
  121    HB2  LEU  17          3HB       LEU  17 -24.367  30.084   2.620
  122    HB3  LEU  17          2HB       LEU  17 -22.687  30.327   2.198
  123    HG   LEU  17           HG       LEU  17 -23.642  31.749   4.087
  124   HD11  LEU  17          1HD1      LEU  17 -22.374  33.729   3.438
  125   HD12  LEU  17          2HD1      LEU  17 -22.314  33.147   1.775
  126   HD13  LEU  17          3HD1      LEU  17 -21.503  32.246   3.055
  127   HD21  LEU  17          1HD2      LEU  17 -24.858  33.253   1.780
  128   HD22  LEU  17          2HD2      LEU  17 -24.844  33.755   3.469
  129   HD23  LEU  17          3HD2      LEU  17 -25.752  32.323   2.982
  130    H    ARG  18           HN       ARG  18 -21.954  30.041  -0.267
  131    HA   ARG  18           HA       ARG  18 -20.951  32.656  -1.146
  132    HB2  ARG  18          3HB       ARG  18 -19.490  30.080  -0.540
  133    HB3  ARG  18          2HB       ARG  18 -18.722  31.525  -1.185
  134    HG2  ARG  18          3HG       ARG  18 -19.310  32.766   0.809
  135    HG3  ARG  18          2HG       ARG  18 -20.169  31.367   1.450
  136    HD2  ARG  18          3HD       ARG  18 -18.116  30.106   1.562
  137    HD3  ARG  18          2HD       ARG  18 -17.228  31.422   0.795
  138    HE   ARG  18           HE       ARG  18 -18.451  32.420   3.105
  139   HH11  ARG  18          1HH1      ARG  18 -15.986  30.090   2.255
  140   HH12  ARG  18          2HH1      ARG  18 -15.039  30.382   3.678
  141   HH21  ARG  18          1HH2      ARG  18 -17.220  32.803   4.981
  142   HH22  ARG  18          2HH2      ARG  18 -15.739  31.934   5.233
  143    H    LYS  19           HN       LYS  19 -21.784  32.888  -3.157
  144    HA   LYS  19           HA       LYS  19 -21.519  30.627  -5.019
  145    HB2  LYS  19          3HB       LYS  19 -23.411  32.983  -5.054
  146    HB3  LYS  19          2HB       LYS  19 -23.256  31.837  -6.376
  147    HG2  LYS  19          3HG       LYS  19 -23.929  30.022  -4.858
  148    HG3  LYS  19          2HG       LYS  19 -24.134  31.200  -3.565
  149    HD2  LYS  19          3HD       LYS  19 -26.290  30.963  -4.342
  150    HD3  LYS  19          2HD       LYS  19 -25.735  32.373  -5.242
  151    HE2  LYS  19          3HE       LYS  19 -25.660  29.558  -6.318
  152    HE3  LYS  19          2HE       LYS  19 -27.000  30.669  -6.584
  153    HZ1  LYS  19          1HZ       LYS  19 -25.393  32.199  -7.637
  154    HZ2  LYS  19          2HZ       LYS  19 -25.559  30.736  -8.461
  155    HZ3  LYS  19          3HZ       LYS  19 -24.199  31.010  -7.502
  156    H    SER  20           HN       SER  20 -19.403  32.560  -4.331
  157    HA   SER  20           HA       SER  20 -19.007  33.758  -6.989
  158    HB2  SER  20          3HB       SER  20 -17.356  34.196  -4.481
  159    HB3  SER  20          2HB       SER  20 -17.239  35.091  -5.994
  160    HG   SER  20           HG       SER  20 -19.604  35.541  -5.545
  161    H    HIS  21           HN       HIS  21 -17.668  31.409  -4.705
  162    HA   HIS  21           HA       HIS  21 -15.501  30.792  -6.545
  163    HB2  HIS  21          3HB       HIS  21 -14.487  29.569  -4.843
  164    HB3  HIS  21          2HB       HIS  21 -15.290  30.857  -3.963
  165    HD1  HIS  21          1HD       HIS  21 -15.100  27.206  -4.292
  166    HD2  HIS  21          2HD       HIS  21 -17.626  29.979  -2.499
  167    HE1  HIS  21          1HE       HIS  21 -16.478  25.900  -2.644
  168    HE2  HIS  21          2HE       HIS  21 -17.855  27.627  -1.435
  169    H    THR  22           HN       THR  22 -18.590  30.153  -6.642
  170    HA   THR  22           HA       THR  22 -19.170  27.475  -6.766
  171    HB   THR  22           HB       THR  22 -19.989  29.121  -9.140
  172    HG1  THR  22          1HG       THR  22 -21.007  30.534  -7.889
  173   HG21  THR  22          1HG2      THR  22 -21.458  27.295  -7.232
  174   HG22  THR  22          2HG2      THR  22 -20.892  26.863  -8.844
  175   HG23  THR  22          3HG2      THR  22 -22.154  28.080  -8.647
  176    H    SER  23           HN       SER  23 -17.257  29.133  -9.370
  177    HA   SER  23           HA       SER  23 -16.844  26.473 -10.543
  178    HB2  SER  23          3HB       SER  23 -16.263  29.182 -11.768
  179    HB3  SER  23          2HB       SER  23 -16.198  27.618 -12.583
  180    HG   SER  23           HG       SER  23 -18.566  27.645 -11.624
  181    H    LEU  24           HN       LEU  24 -15.536  27.780  -8.161
  182    HA   LEU  24           HA       LEU  24 -12.738  27.533  -9.042
  183    HB2  LEU  24          3HB       LEU  24 -13.829  29.408  -6.935
  184    HB3  LEU  24          2HB       LEU  24 -12.140  29.227  -7.360
  185    HG   LEU  24           HG       LEU  24 -14.285  30.281  -9.206
  186   HD11  LEU  24          1HD1      LEU  24 -13.191  32.443  -8.897
  187   HD12  LEU  24          2HD1      LEU  24 -12.100  31.724  -7.712
  188   HD13  LEU  24          3HD1      LEU  24 -13.828  31.821  -7.375
  189   HD21  LEU  24          1HD2      LEU  24 -12.506  29.181 -10.430
  190   HD22  LEU  24          2HD2      LEU  24 -11.292  30.085  -9.525
  191   HD23  LEU  24          3HD2      LEU  24 -12.381  30.930 -10.625
  192    H    GLU  25           HN       GLU  25 -12.421  25.453  -8.349
  193    HA   GLU  25           HA       GLU  25 -13.392  24.556  -5.795
  194    HB2  GLU  25          3HB       GLU  25 -11.619  23.259  -7.863
  195    HB3  GLU  25          2HB       GLU  25 -12.010  22.491  -6.332
  196    HG2  GLU  25          3HG       GLU  25 -13.462  21.610  -7.988
  197    HG3  GLU  25          2HG       GLU  25 -14.415  22.655  -6.939
  198    H    ASP  26           HN       ASP  26 -10.657  26.171  -6.928
  199    HA   ASP  26           HA       ASP  26  -8.975  27.193  -5.796
  200    HB2  ASP  26          3HB       ASP  26 -10.446  27.263  -3.810
  201    HB3  ASP  26          2HB       ASP  26  -9.881  25.661  -3.352
  202    H    ASP  27           HN       ASP  27  -6.845  26.711  -4.942
  203    HA   ASP  27           HA       ASP  27  -5.913  24.389  -6.357
  204    HB2  ASP  27          3HB       ASP  27  -4.287  26.481  -4.916
  205    HB3  ASP  27          2HB       ASP  27  -3.696  25.334  -6.111
  206    H    ASP  28           HN       ASP  28  -6.603  25.146  -3.166
  207    HA   ASP  28           HA       ASP  28  -4.666  23.277  -2.072
  208    HB2  ASP  28          3HB       ASP  28  -5.100  25.365  -0.852
  209    HB3  ASP  28          2HB       ASP  28  -6.784  24.890  -0.656
  210    H    ASP  29           HN       ASP  29  -8.087  23.542  -2.579
  211    HA   ASP  29           HA       ASP  29  -8.699  21.015  -1.356
  212    HB2  ASP  29          3HB       ASP  29 -10.298  22.888  -3.094
  213    HB3  ASP  29          2HB       ASP  29 -10.921  21.314  -2.612
  214    H    GLY  30           HN       GLY  30  -7.560  22.072  -4.404
  215    HA2  GLY  30          2HA       GLY  30  -8.342  19.715  -5.868
  216    HA3  GLY  30          1HA       GLY  30  -7.257  20.979  -6.424
  217    H    SER  31           HN       SER  31  -6.041  20.279  -3.530
  218    HA   SER  31           HA       SER  31  -3.997  18.533  -4.549
  219    HB2  SER  31          3HB       SER  31  -4.475  19.514  -1.725
  220    HB3  SER  31          2HB       SER  31  -2.997  18.767  -2.329
  221    HG   SER  31           HG       SER  31  -2.822  21.033  -2.310
  222    H    ARG  32           HN       ARG  32  -7.057  18.053  -3.458
  223    HA   ARG  32           HA       ARG  32  -6.447  15.312  -2.578
  224    HB2  ARG  32          3HB       ARG  32  -8.761  17.024  -1.637
  225    HB3  ARG  32          2HB       ARG  32  -8.425  15.371  -1.145
  226    HG2  ARG  32          3HG       ARG  32  -6.307  16.133  -0.131
  227    HG3  ARG  32          2HG       ARG  32  -6.734  17.793  -0.557
  228    HD2  ARG  32          3HD       ARG  32  -7.301  17.272   1.776
  229    HD3  ARG  32          2HD       ARG  32  -8.732  17.653   0.818
  230    HE   ARG  32           HE       ARG  32  -7.942  14.862   1.326
  231   HH11  ARG  32          1HH1      ARG  32 -10.308  17.442   1.524
  232   HH12  ARG  32          2HH1      ARG  32 -11.609  16.384   1.980
  233   HH21  ARG  32          1HH2      ARG  32  -9.645  13.473   1.914
  234   HH22  ARG  32          2HH2      ARG  32 -11.238  14.118   2.190
  235    H    GLY  33           HN       GLY  33  -8.061  13.720  -3.154
  236    HA2  GLY  33          2HA       GLY  33  -9.842  12.856  -4.376
  237    HA3  GLY  33          1HA       GLY  33 -10.237  14.485  -4.902
  238    H    GLY  34           HN       GLY  34  -7.055  13.018  -5.277
  239    HA2  GLY  34          2HA       GLY  34  -7.501  13.139  -8.196
  240    HA3  GLY  34          1HA       GLY  34  -5.948  13.442  -7.431
  241    H    ASP  35           HN       ASP  35  -4.936  11.562  -6.285
  242    HA   ASP  35           HA       ASP  35  -6.017   8.956  -6.745
  243    HB2  ASP  35          3HB       ASP  35  -4.911   9.597  -8.969
  244    HB3  ASP  35          2HB       ASP  35  -3.378   9.458  -8.117
  245    H    CYS  36           HN       CYS  36  -3.677  11.102  -5.419
  246    HA   CYS  36           HA       CYS  36  -2.637   8.932  -3.731
  247    HB2  CYS  36          3HB       CYS  36  -1.598  11.767  -4.023
  248    HB3  CYS  36          2HB       CYS  36  -0.847  10.469  -3.101
  249    HG   CYS  36           HG       CYS  36  -1.253  10.411  -6.498
  250    H    GLU  37           HN       GLU  37  -4.319   8.697  -2.305
  251    HA   GLU  37           HA       GLU  37  -5.138  11.077  -0.781
  252    HB2  GLU  37          3HB       GLU  37  -6.999   8.836  -1.596
  253    HB3  GLU  37          2HB       GLU  37  -7.431  10.340  -0.801
  254    HG2  GLU  37          3HG       GLU  37  -6.458  10.014  -3.627
  255    HG3  GLU  37          2HG       GLU  37  -8.093  10.408  -3.107
  256    H    GLY  38           HN       GLY  38  -3.154   9.557   0.042
  257    HA2  GLY  38          2HA       GLY  38  -2.573   8.603   2.085
  258    HA3  GLY  38          1HA       GLY  38  -4.263   8.214   2.374
  259    H    CYS  39           HN       CYS  39  -1.676   7.424   0.082
  260    HA   CYS  39           HA       CYS  39  -1.779   4.656   0.656
  261    HB2  CYS  39          3HB       CYS  39  -3.823   4.748  -0.675
  262    HB3  CYS  39          2HB       CYS  39  -2.964   5.560  -1.978
  263    H    SER  40           HN       SER  40  -1.246   5.991  -2.560
  264    HA   SER  40           HA       SER  40   1.131   4.657  -2.964
  265    HB2  SER  40          3HB       SER  40   1.435   6.344  -4.830
  266    HB3  SER  40          2HB       SER  40  -0.075   5.454  -4.784
  267    HG   SER  40           HG       SER  40   0.045   7.960  -4.992
  268    H    GLY  41           HN       GLY  41   0.825   8.133  -2.465
  269    HA2  GLY  41          2HA       GLY  41   3.685   8.313  -1.835
  270    HA3  GLY  41          1HA       GLY  41   2.588   9.687  -1.879
  271    H    THR  42           HN       THR  42   1.641   6.876  -0.120
  272    HA   THR  42           HA       THR  42   2.183   8.342   2.383
  273    HB   THR  42           HB       THR  42  -0.021   6.360   1.789
  274    HG1  THR  42          1HG       THR  42  -0.255   9.125   2.418
  275   HG21  THR  42          1HG2      THR  42   0.712   6.241   4.130
  276   HG22  THR  42          2HG2      THR  42  -0.891   6.965   3.999
  277   HG23  THR  42          3HG2      THR  42   0.518   7.988   4.280
  278    H    ALA  43           HN       ALA  43   3.363   7.410   3.894
  279    HA   ALA  43           HA       ALA  43   4.749   4.976   3.260
  280    HB1  ALA  43          1HB       ALA  43   5.908   6.881   4.274
  281    HB2  ALA  43          2HB       ALA  43   6.034   5.438   5.279
  282    HB3  ALA  43          3HB       ALA  43   4.909   6.723   5.720
  283    H    CYS  44           HN       CYS  44   4.204   3.078   3.761
  284    HA   CYS  44           HA       CYS  44   2.471   2.524   6.068
  285    HB2  CYS  44          3HB       CYS  44   2.294   0.263   4.923
  286    HB3  CYS  44          2HB       CYS  44   1.522   1.612   4.098
  287    H    SER  45           HN       SER  45   3.448   1.735   7.814
  288    HA   SER  45           HA       SER  45   6.054   0.473   7.538
  289    HB2  SER  45          3HB       SER  45   4.424   0.463  10.090
  290    HB3  SER  45          2HB       SER  45   6.174   0.461   9.891
  291    HG   SER  45           HG       SER  45   5.679   2.643   8.817
  292    H    SER  46           HN       SER  46   2.694  -0.312   7.831
  293    HA   SER  46           HA       SER  46   3.382  -3.163   7.827
  294    HB2  SER  46          3HB       SER  46   0.871  -1.825   8.839
  295    HB3  SER  46          2HB       SER  46   1.141  -3.567   8.797
  296    HG   SER  46           HG       SER  46   2.875  -3.279  10.226
  297    H    ASP  47           HN       ASP  47   2.544  -4.459   6.290
  298    HA   ASP  47           HA       ASP  47   1.482  -3.522   3.894
  299    HB2  ASP  47          3HB       ASP  47   1.420  -6.296   5.077
  300    HB3  ASP  47          2HB       ASP  47   1.040  -5.910   3.402
  301    H    ALA  48           HN       ALA  48  -0.211  -4.824   6.759
  302    HA   ALA  48           HA       ALA  48  -2.641  -5.280   5.619
  303    HB1  ALA  48          1HB       ALA  48  -2.096  -4.364   8.431
  304    HB2  ALA  48          2HB       ALA  48  -2.014  -6.030   7.859
  305    HB3  ALA  48          3HB       ALA  48  -3.556  -5.176   7.867
  306    H    GLN  49           HN       GLN  49  -1.122  -2.297   6.211
  307    HA   GLN  49           HA       GLN  49  -3.452  -0.698   6.533
  308    HB2  GLN  49          3HB       GLN  49  -0.740   0.199   5.550
  309    HB3  GLN  49          2HB       GLN  49  -1.992   1.197   6.271
  310    HG2  GLN  49          3HG       GLN  49  -1.715  -0.172   8.366
  311    HG3  GLN  49          2HG       GLN  49  -0.291  -0.877   7.611
  312   HE21  GLN  49          1HE2      GLN  49  -1.371   2.452   7.324
  313   HE22  GLN  49          2HE2      GLN  49  -0.029   3.155   8.159
  314    H    CYS  50           HN       CYS  50  -1.413  -1.713   3.840
  315    HA   CYS  50           HA       CYS  50  -2.840  -0.144   1.895
  316    HB2  CYS  50          3HB       CYS  50  -0.969  -2.488   1.589
  317    HB3  CYS  50          2HB       CYS  50  -1.653  -1.595   0.239
  318    H    ARG  51           HN       ARG  51  -2.894  -3.389   3.120
  319    HA   ARG  51           HA       ARG  51  -4.768  -4.480   1.372
  320    HB2  ARG  51          3HB       ARG  51  -4.251  -5.118   4.281
  321    HB3  ARG  51          2HB       ARG  51  -5.201  -6.109   3.195
  322    HG2  ARG  51          3HG       ARG  51  -2.250  -5.594   3.128
  323    HG3  ARG  51          2HG       ARG  51  -3.101  -7.131   3.288
  324    HD2  ARG  51          3HD       ARG  51  -3.164  -5.360   0.852
  325    HD3  ARG  51          2HD       ARG  51  -2.132  -6.782   1.042
  326    HE   ARG  51           HE       ARG  51  -4.808  -7.524   1.496
  327   HH11  ARG  51          1HH1      ARG  51  -2.695  -6.542  -1.115
  328   HH12  ARG  51          2HH1      ARG  51  -3.609  -7.376  -2.334
  329   HH21  ARG  51          1HH2      ARG  51  -6.018  -8.606  -0.114
  330   HH22  ARG  51          2HH2      ARG  51  -5.491  -8.546  -1.768
  331    H    ALA  52           HN       ALA  52  -5.134  -2.805   4.471
  332    HA   ALA  52           HA       ALA  52  -7.995  -2.856   4.418
  333    HB1  ALA  52          1HB       ALA  52  -6.736  -2.731   6.515
  334    HB2  ALA  52          2HB       ALA  52  -7.872  -1.393   6.352
  335    HB3  ALA  52          3HB       ALA  52  -6.153  -1.129   6.065
  336    H    ARG  53           HN       ARG  53  -5.564  -0.758   3.077
  337    HA   ARG  53           HA       ARG  53  -7.428   1.435   2.733
  338    HB2  ARG  53          3HB       ARG  53  -4.571   1.042   1.947
  339    HB3  ARG  53          2HB       ARG  53  -5.509   2.355   1.250
  340    HG2  ARG  53          3HG       ARG  53  -5.052   1.919   4.196
  341    HG3  ARG  53          2HG       ARG  53  -4.178   3.070   3.183
  342    HD2  ARG  53          3HD       ARG  53  -7.166   3.097   3.598
  343    HD3  ARG  53          2HD       ARG  53  -6.032   4.065   4.530
  344    HE   ARG  53           HE       ARG  53  -5.436   5.196   2.442
  345   HH11  ARG  53          1HH1      ARG  53  -8.391   3.303   2.414
  346   HH12  ARG  53          2HH1      ARG  53  -9.155   4.274   1.194
  347   HH21  ARG  53          1HH2      ARG  53  -6.488   6.524   0.876
  348   HH22  ARG  53          2HH2      ARG  53  -8.096   6.110   0.351
  349    H    GLY  54           HN       GLY  54  -7.397  -1.402   1.327
  350    HA2  GLY  54          2HA       GLY  54  -8.296  -2.212  -0.644
  351    HA3  GLY  54          1HA       GLY  54  -8.912  -0.588  -0.918
  352    H    CYS  55           HN       CYS  55  -5.565  -0.758  -0.415
  353    HA   CYS  55           HA       CYS  55  -5.138  -0.034  -3.185
  354    HB2  CYS  55          3HB       CYS  55  -3.361   0.122  -0.759
  355    HB3  CYS  55          2HB       CYS  55  -2.740   0.400  -2.390
  356    H    ASP  56           HN       ASP  56  -2.643  -1.962  -1.525
  357    HA   ASP  56           HA       ASP  56  -3.387  -4.424  -2.629
  358    HB2  ASP  56          3HB       ASP  56  -2.909  -3.498  -4.800
  359    HB3  ASP  56          2HB       ASP  56  -1.382  -2.825  -4.237
  360    H    GLY  57           HN       GLY  57  -0.309  -2.538  -2.250
  361    HA2  GLY  57          2HA       GLY  57   0.434  -4.432  -0.171
  362    HA3  GLY  57          1HA       GLY  57   1.364  -4.539  -1.652
  363    H    CYS  58           HN       CYS  58   1.865  -3.656   1.235
  364    HA   CYS  58           HA       CYS  58   3.000  -1.048   0.862
  365    HB2  CYS  58          3HB       CYS  58   2.363  -2.028   3.098
  366    HB3  CYS  58          2HB       CYS  58   3.743  -3.114   2.945
  367    H    SER  59           HN       SER  59   5.028  -0.554   0.108
  368    HA   SER  59           HA       SER  59   6.454  -2.792  -1.103
  369    HB2  SER  59          3HB       SER  59   7.001   0.174  -1.360
  370    HB3  SER  59          2HB       SER  59   7.638  -1.110  -2.388
  371    HG   SER  59           HG       SER  59   4.875  -0.548  -2.080
  372    H    THR  60           HN       THR  60   8.875  -2.913  -0.901
  373    HA   THR  60           HA       THR  60   9.621  -3.001   1.793
  374    HB   THR  60           HB       THR  60  12.018  -3.136   0.667
  375    HG1  THR  60          1HG       THR  60  11.000  -4.241  -1.519
  376   HG21  THR  60          1HG2      THR  60  11.589  -5.524   0.288
  377   HG22  THR  60          2HG2      THR  60   9.852  -5.222   0.363
  378   HG23  THR  60          3HG2      THR  60  10.855  -4.967   1.792
  379    H    SER  61           HN       SER  61   9.330  -0.064   0.205
  380    HA   SER  61           HA       SER  61  11.337   1.052   2.012
  381    HB2  SER  61          3HB       SER  61  11.779   1.387  -0.463
  382    HB3  SER  61          2HB       SER  61  10.331   2.392  -0.500
  383    HG   SER  61           HG       SER  61  11.941   3.805  -0.135
  384    H    GLY  62           HN       GLY  62   8.449   0.339   2.399
  385    HA2  GLY  62          2HA       GLY  62   6.705   1.181   3.591
  386    HA3  GLY  62          1HA       GLY  62   7.758   2.515   4.020
  387    H    VAL  63           HN       VAL  63   6.389   1.531   0.867
  388    HA   VAL  63           HA       VAL  63   4.706   3.936   0.982
  389    HB   VAL  63           HB       VAL  63   4.955   4.297  -1.449
  390   HG11  VAL  63          1HG1      VAL  63   7.205   5.289  -1.388
  391   HG12  VAL  63          2HG1      VAL  63   7.545   4.400   0.097
  392   HG13  VAL  63          3HG1      VAL  63   6.284   5.632   0.077
  393   HG21  VAL  63          1HG2      VAL  63   5.637   2.040  -2.103
  394   HG22  VAL  63          2HG2      VAL  63   7.175   2.257  -1.267
  395   HG23  VAL  63          3HG2      VAL  63   6.792   3.245  -2.675
  396    H    CYS  64           HN       CYS  64   2.731   3.762  -0.286
  397    HA   CYS  64           HA       CYS  64   1.846   0.946  -0.124
  398    HB2  CYS  64          3HB       CYS  64   0.851   2.762   1.415
  399    HB3  CYS  64          2HB       CYS  64   0.072   3.380  -0.029
  400    H    VAL  65           HN       VAL  65   1.670   0.026  -2.110
  401    HA   VAL  65           HA       VAL  65   0.466   1.574  -4.289
  402    HB   VAL  65           HB       VAL  65   2.283   1.271  -5.822
  403   HG11  VAL  65          1HG1      VAL  65   2.516   3.180  -4.383
  404   HG12  VAL  65          2HG1      VAL  65   4.100   2.501  -4.758
  405   HG13  VAL  65          3HG1      VAL  65   3.356   2.195  -3.188
  406   HG21  VAL  65          1HG2      VAL  65   4.379   0.156  -5.227
  407   HG22  VAL  65          2HG2      VAL  65   3.010  -0.953  -5.143
  408   HG23  VAL  65          3HG2      VAL  65   3.695  -0.285  -3.662
  409    H    LEU  66           HN       LEU  66   0.429   0.083  -6.361
  410    HA   LEU  66           HA       LEU  66  -0.278  -2.623  -5.768
  411    HB2  LEU  66          3HB       LEU  66  -1.100  -1.364  -7.754
  412    HB3  LEU  66          2HB       LEU  66   0.533  -1.344  -8.388
  413    HG   LEU  66           HG       LEU  66   0.445  -3.866  -8.428
  414   HD11  LEU  66          1HD1      LEU  66  -1.756  -4.915  -8.398
  415   HD12  LEU  66          2HD1      LEU  66  -2.492  -3.372  -7.965
  416   HD13  LEU  66          3HD1      LEU  66  -1.388  -4.167  -6.844
  417   HD21  LEU  66          1HD2      LEU  66  -1.548  -2.357 -10.111
  418   HD22  LEU  66          2HD2      LEU  66  -0.877  -3.944 -10.484
  419   HD23  LEU  66          3HD2      LEU  66   0.175  -2.530 -10.441
  420    H    SER  67           HN       SER  67   1.501  -3.415  -4.577
  421    HA   SER  67           HA       SER  67   4.169  -3.090  -5.686
  422    HB2  SER  67          3HB       SER  67   3.713  -2.832  -3.180
  423    HB3  SER  67          2HB       SER  67   3.532  -4.592  -3.122
  424    HG   SER  67           HG       SER  67   5.815  -3.086  -3.882
  425    H    SER  68           HN       SER  68   5.636  -5.226  -5.382
  426    HA   SER  68           HA       SER  68   4.296  -7.147  -7.141
  427    HB2  SER  68          3HB       SER  68   7.263  -6.738  -6.712
  428    HB3  SER  68          2HB       SER  68   6.496  -7.690  -7.984
  429    HG   SER  68           HG       SER  68   7.199  -5.513  -8.584
  430    H    LEU  69           HN       LEU  69   3.305  -8.264  -5.365
  431    HA   LEU  69           HA       LEU  69   4.801  -9.452  -3.273
  432    HB2  LEU  69          3HB       LEU  69   2.846 -10.719  -2.747
  433    HB3  LEU  69          2HB       LEU  69   2.340  -9.105  -3.199
  434    HG   LEU  69           HG       LEU  69   2.255 -11.390  -5.160
  435   HD11  LEU  69          1HD1      LEU  69  -0.084 -11.706  -4.575
  436   HD12  LEU  69          2HD1      LEU  69   0.063 -10.512  -3.286
  437   HD13  LEU  69          3HD1      LEU  69   0.954 -12.030  -3.188
  438   HD21  LEU  69          1HD2      LEU  69   0.772  -8.770  -4.981
  439   HD22  LEU  69          2HD2      LEU  69   0.535 -10.002  -6.220
  440   HD23  LEU  69          3HD2      LEU  69   2.074  -9.156  -6.105
  441    H    HIS  70           HN       HIS  70   3.954 -10.477  -6.512
  442    HA   HIS  70           HA       HIS  70   5.130 -13.111  -6.073
  443    HB2  HIS  70          3HB       HIS  70   3.003 -12.921  -7.338
  444    HB3  HIS  70          2HB       HIS  70   3.825 -11.946  -8.548
  445    HD1  HIS  70          1HD       HIS  70   3.446 -15.461  -7.345
  446    HD2  HIS  70          2HD       HIS  70   5.447 -13.378 -10.334
  447    HE1  HIS  70          1HE       HIS  70   4.265 -17.210  -8.954
  448    HE2  HIS  70          2HE       HIS  70   5.295 -15.907 -10.852
  449    H    HIS  71           HN       HIS  71   7.296 -12.656  -5.851
  450    HA   HIS  71           HA       HIS  71   8.607 -11.577  -8.247
  451    HB2  HIS  71          3HB       HIS  71  10.447 -10.797  -6.623
  452    HB3  HIS  71          2HB       HIS  71   8.963  -9.859  -6.699
  453    HD1  HIS  71          1HD       HIS  71   7.711  -9.521  -4.548
  454    HD2  HIS  71          2HD       HIS  71  10.662 -12.438  -4.239
  455    HE1  HIS  71          1HE       HIS  71   7.860 -10.085  -2.104
  456    HE2  HIS  71          2HE       HIS  71   9.754 -11.732  -1.923
  457    H    HIS  72           HN       HIS  72   8.647 -13.778  -8.920
  458    HA   HIS  72           HA       HIS  72  10.399 -15.602  -7.465
  459    HB2  HIS  72          3HB       HIS  72   8.195 -16.290  -8.564
  460    HB3  HIS  72          2HB       HIS  72   9.010 -16.084 -10.107
  461    HD1  HIS  72          1HD       HIS  72  10.178 -18.094 -10.987
  462    HD2  HIS  72          2HD       HIS  72   9.490 -18.347  -6.896
  463    HE1  HIS  72          1HE       HIS  72  10.906 -20.406 -10.323
  464    HE2  HIS  72          2HE       HIS  72  10.319 -20.591  -7.882
  465    H    HIS  73           HN       HIS  73  12.532 -15.363  -7.801
  466    HA   HIS  73           HA       HIS  73  13.411 -14.067 -10.260
  467    HB2  HIS  73          3HB       HIS  73  14.753 -14.518  -7.608
  468    HB3  HIS  73          2HB       HIS  73  15.642 -13.955  -9.019
  469    HD1  HIS  73          1HD       HIS  73  15.179 -11.545  -9.832
  470    HD2  HIS  73          2HD       HIS  73  13.040 -12.637  -6.439
  471    HE1  HIS  73          1HE       HIS  73  14.237  -9.406  -8.909
  472    HE2  HIS  73          2HE       HIS  73  13.090 -10.074  -6.769
  473    H    HIS  74           HN       HIS  74  12.598 -16.610 -10.723
  474    HA   HIS  74           HA       HIS  74  13.216 -18.412 -11.952
  475    HB2  HIS  74          3HB       HIS  74  15.705 -16.755 -12.376
  476    HB3  HIS  74          2HB       HIS  74  15.301 -18.201 -13.292
  477    HD1  HIS  74          1HD       HIS  74  13.996 -17.828 -15.369
  478    HD2  HIS  74          2HD       HIS  74  13.686 -14.628 -12.742
  479    HE1  HIS  74          1HE       HIS  74  12.711 -16.059 -16.607
  480    HE2  HIS  74          2HE       HIS  74  12.711 -14.065 -15.068
  481    H    HIS  75           HN       HIS  75  13.920 -18.462  -9.074
  482    HA   HIS  75           HA       HIS  75  15.831 -20.661  -9.326
  483    HB2  HIS  75          3HB       HIS  75  17.038 -20.060  -7.325
  484    HB3  HIS  75          2HB       HIS  75  17.072 -18.704  -8.440
  485    HD1  HIS  75          1HD       HIS  75  15.771 -19.754  -5.098
  486    HD2  HIS  75          2HD       HIS  75  15.769 -16.388  -7.536
  487    HE1  HIS  75          1HE       HIS  75  14.997 -17.863  -3.637
  488    HE2  HIS  75          2HE       HIS  75  15.029 -15.827  -5.121
  Start of MODEL    6
    1    H1   MET   1          1HT       MET   1 -14.216  -7.475 -21.827
    2    H2   MET   1          2HT       MET   1 -12.646  -8.105 -21.773
    3    H3   MET   1          3HT       MET   1 -13.625  -8.403 -23.119
    4    HA   MET   1           HA       MET   1 -12.495  -5.809 -22.259
    5    HB2  MET   1          3HB       MET   1 -10.938  -7.340 -23.417
    6    HB3  MET   1          2HB       MET   1 -12.060  -7.448 -24.762
    7    HG2  MET   1          3HG       MET   1 -10.260  -5.935 -25.283
    8    HG3  MET   1          2HG       MET   1 -11.788  -5.064 -25.191
    9    HE1  MET   1          1HE       MET   1  -9.080  -2.499 -23.918
   10    HE2  MET   1          2HE       MET   1 -10.324  -2.815 -25.129
   11    HE3  MET   1          3HE       MET   1  -8.832  -3.756 -25.130
   12    H    CYS   2           HN       CYS   2 -14.370  -7.415 -24.850
   13    HA   CYS   2           HA       CYS   2 -15.401  -4.859 -25.736
   14    HB2  CYS   2          3HB       CYS   2 -16.034  -7.648 -26.719
   15    HB3  CYS   2          2HB       CYS   2 -16.450  -6.140 -27.528
   16    HG   CYS   2           HG       CYS   2 -14.043  -5.546 -28.471
   17    H    GLU   3           HN       GLU   3 -16.205  -5.140 -23.217
   18    HA   GLU   3           HA       GLU   3 -19.039  -4.939 -23.495
   19    HB2  GLU   3          3HB       GLU   3 -19.753  -6.634 -21.983
   20    HB3  GLU   3          2HB       GLU   3 -18.688  -7.432 -23.126
   21    HG2  GLU   3          3HG       GLU   3 -17.861  -6.522 -20.378
   22    HG3  GLU   3          2HG       GLU   3 -18.395  -8.153 -20.774
   23    H    PHE   4           HN       PHE   4 -19.869  -4.719 -20.961
   24    HA   PHE   4           HA       PHE   4 -17.933  -2.829 -19.763
   25    HB2  PHE   4          3HB       PHE   4 -20.942  -2.941 -19.317
   26    HB3  PHE   4          2HB       PHE   4 -19.829  -1.740 -18.681
   27    HD1  PHE   4          1HD       PHE   4 -21.989  -2.598 -21.369
   28    HD2  PHE   4          2HD       PHE   4 -18.558  -0.292 -20.360
   29    HE1  PHE   4          1HE       PHE   4 -22.344  -1.205 -23.366
   30    HE2  PHE   4          2HE       PHE   4 -18.911   1.108 -22.352
   31    HZ   PHE   4           HZ       PHE   4 -20.805   0.653 -23.856
   32    H    ILE   5           HN       ILE   5 -16.878  -3.730 -18.167
   33    HA   ILE   5           HA       ILE   5 -17.840  -6.057 -16.795
   34    HB   ILE   5           HB       ILE   5 -15.378  -5.536 -17.252
   35   HG12  ILE   5          3HG1      ILE   5 -16.223  -6.355 -14.472
   36   HG13  ILE   5          2HG1      ILE   5 -16.125  -7.412 -15.875
   37   HG21  ILE   5          1HG2      ILE   5 -14.373  -4.446 -15.067
   38   HG22  ILE   5          2HG2      ILE   5 -15.905  -3.572 -15.074
   39   HG23  ILE   5          3HG2      ILE   5 -14.807  -3.456 -16.452
   40   HD11  ILE   5          1HD1      ILE   5 -13.707  -7.061 -15.963
   41   HD12  ILE   5          2HD1      ILE   5 -14.220  -7.723 -14.410
   42   HD13  ILE   5          3HD1      ILE   5 -13.813  -6.013 -14.549
   43    H    GLU   6           HN       GLU   6 -19.530  -3.756 -16.575
   44    HA   GLU   6           HA       GLU   6 -20.723  -2.484 -15.048
   45    HB2  GLU   6          3HB       GLU   6 -19.736  -4.716 -13.308
   46    HB3  GLU   6          2HB       GLU   6 -20.752  -3.438 -12.667
   47    HG2  GLU   6          3HG       GLU   6 -22.205  -5.207 -13.158
   48    HG3  GLU   6          2HG       GLU   6 -22.423  -4.046 -14.461
   49    H    ASP   7           HN       ASP   7 -18.315  -1.455 -15.653
   50    HA   ASP   7           HA       ASP   7 -16.679  -0.701 -13.482
   51    HB2  ASP   7          3HB       ASP   7 -15.798   1.034 -14.986
   52    HB3  ASP   7          2HB       ASP   7 -15.926  -0.524 -15.797
   53    H    SER   8           HN       SER   8 -19.726  -0.149 -13.440
   54    HA   SER   8           HA       SER   8 -19.885   2.629 -12.708
   55    HB2  SER   8          3HB       SER   8 -21.885   0.424 -12.186
   56    HB3  SER   8          2HB       SER   8 -22.189   2.161 -12.180
   57    HG   SER   8           HG       SER   8 -21.381   2.008 -14.470
   58    H    GLU   9           HN       GLU   9 -18.255   0.351 -11.443
   59    HA   GLU   9           HA       GLU   9 -18.793  -0.663  -9.075
   60    HB2  GLU   9          3HB       GLU   9 -16.392  -0.466  -8.572
   61    HB3  GLU   9          2HB       GLU   9 -16.694  -0.906 -10.252
   62    HG2  GLU   9          3HG       GLU   9 -16.465   1.528 -10.823
   63    HG3  GLU   9          2HG       GLU   9 -15.909   1.789  -9.173
   64    H    ASP  10           HN       ASP  10 -18.505   2.808  -9.428
   65    HA   ASP  10           HA       ASP  10 -17.753   3.240  -6.687
   66    HB2  ASP  10          3HB       ASP  10 -18.753   5.205  -8.755
   67    HB3  ASP  10          2HB       ASP  10 -18.088   5.631  -7.182
   68    H    ILE  11           HN       ILE  11 -19.577   1.908  -5.807
   69    HA   ILE  11           HA       ILE  11 -22.211   2.965  -5.916
   70    HB   ILE  11           HB       ILE  11 -22.539   1.639  -3.731
   71   HG12  ILE  11          3HG1      ILE  11 -19.913   1.400  -3.566
   72   HG13  ILE  11          2HG1      ILE  11 -20.981   0.114  -3.026
   73   HG21  ILE  11          1HG2      ILE  11 -23.471   1.015  -5.830
   74   HG22  ILE  11          2HG2      ILE  11 -22.832  -0.423  -5.030
   75   HG23  ILE  11          3HG2      ILE  11 -21.937   0.322  -6.355
   76   HD11  ILE  11          1HD1      ILE  11 -19.079  -0.726  -4.310
   77   HD12  ILE  11          2HD1      ILE  11 -19.610   0.212  -5.703
   78   HD13  ILE  11          3HD1      ILE  11 -20.616  -1.097  -5.087
   79    H    GLN  12           HN       GLN  12 -19.494   3.495  -3.743
   80    HA   GLN  12           HA       GLN  12 -20.924   5.007  -1.846
   81    HB2  GLN  12          3HB       GLN  12 -18.782   5.866  -1.080
   82    HB3  GLN  12          2HB       GLN  12 -18.680   4.136  -1.363
   83    HG2  GLN  12          3HG       GLN  12 -17.751   6.192  -3.345
   84    HG3  GLN  12          2HG       GLN  12 -16.710   5.482  -2.111
   85   HE21  GLN  12          1HE2      GLN  12 -16.574   5.363  -5.029
   86   HE22  GLN  12          2HE2      GLN  12 -16.574   3.678  -5.420
   87    H    GLY  13           HN       GLY  13 -19.880   5.656  -5.016
   88    HA2  GLY  13          2HA       GLY  13 -20.577   8.497  -4.702
   89    HA3  GLY  13          1HA       GLY  13 -19.576   7.850  -5.994
   90    H    LEU  14           HN       LEU  14 -22.361   6.062  -5.005
   91    HA   LEU  14           HA       LEU  14 -24.427   5.716  -5.873
   92    HB2  LEU  14          3HB       LEU  14 -23.962   8.245  -7.450
   93    HB3  LEU  14          2HB       LEU  14 -25.494   7.410  -7.287
   94    HG   LEU  14           HG       LEU  14 -23.974   8.719  -5.028
   95   HD11  LEU  14          1HD1      LEU  14 -26.436   9.596  -6.527
   96   HD12  LEU  14          2HD1      LEU  14 -24.852  10.372  -6.558
   97   HD13  LEU  14          3HD1      LEU  14 -25.799  10.362  -5.072
   98   HD21  LEU  14          1HD2      LEU  14 -25.303   6.808  -4.288
   99   HD22  LEU  14          2HD2      LEU  14 -26.722   7.478  -5.093
  100   HD23  LEU  14          3HD2      LEU  14 -26.001   8.326  -3.726
  101    H    LYS  15           HN       LYS  15 -24.126   3.892  -6.936
  102    HA   LYS  15           HA       LYS  15 -22.340   3.484  -9.036
  103    HB2  LYS  15          3HB       LYS  15 -23.100   1.621  -7.682
  104    HB3  LYS  15          2HB       LYS  15 -24.746   1.804  -8.276
  105    HG2  LYS  15          3HG       LYS  15 -24.222   0.958 -10.358
  106    HG3  LYS  15          2HG       LYS  15 -22.493   1.272 -10.164
  107    HD2  LYS  15          3HD       LYS  15 -22.424  -0.456  -8.389
  108    HD3  LYS  15          2HD       LYS  15 -24.121  -0.813  -8.707
  109    HE2  LYS  15          3HE       LYS  15 -21.916  -1.026 -10.753
  110    HE3  LYS  15          2HE       LYS  15 -22.532  -2.379  -9.807
  111    HZ1  LYS  15          1HZ       LYS  15 -24.200  -0.711 -11.604
  112    HZ2  LYS  15          2HZ       LYS  15 -24.673  -2.130 -10.802
  113    HZ3  LYS  15          3HZ       LYS  15 -23.520  -2.194 -12.044
  114    H    SER  16           HN       SER  16 -25.831   4.119  -9.187
  115    HA   SER  16           HA       SER  16 -25.393   4.887 -11.983
  116    HB2  SER  16          3HB       SER  16 -27.797   4.124 -12.381
  117    HB3  SER  16          2HB       SER  16 -26.605   2.843 -12.155
  118    HG   SER  16           HG       SER  16 -28.487   2.482 -10.915
  119    H    LEU  17           HN       LEU  17 -27.997   5.002  -9.620
  120    HA   LEU  17           HA       LEU  17 -27.740   7.926  -9.552
  121    HB2  LEU  17          3HB       LEU  17 -29.699   7.304 -10.936
  122    HB3  LEU  17          2HB       LEU  17 -30.354   6.422  -9.571
  123    HG   LEU  17           HG       LEU  17 -30.543   8.522  -8.303
  124   HD11  LEU  17          1HD1      LEU  17 -28.723   9.770  -9.294
  125   HD12  LEU  17          2HD1      LEU  17 -30.234  10.664  -9.468
  126   HD13  LEU  17          3HD1      LEU  17 -29.557   9.799 -10.848
  127   HD21  LEU  17          1HD2      LEU  17 -32.373   9.492  -9.586
  128   HD22  LEU  17          2HD2      LEU  17 -32.433   7.730  -9.631
  129   HD23  LEU  17          3HD2      LEU  17 -31.833   8.628 -11.024
  130    H    ARG  18           HN       ARG  18 -28.924   5.029  -8.055
  131    HA   ARG  18           HA       ARG  18 -28.036   6.019  -5.447
  132    HB2  ARG  18          3HB       ARG  18 -30.680   4.661  -6.021
  133    HB3  ARG  18          2HB       ARG  18 -30.014   4.857  -4.407
  134    HG2  ARG  18          3HG       ARG  18 -30.092   7.292  -4.688
  135    HG3  ARG  18          2HG       ARG  18 -30.793   7.073  -6.292
  136    HD2  ARG  18          3HD       ARG  18 -32.025   6.042  -3.743
  137    HD3  ARG  18          2HD       ARG  18 -32.456   7.572  -4.501
  138    HE   ARG  18           HE       ARG  18 -32.810   5.761  -6.490
  139   HH11  ARG  18          1HH1      ARG  18 -33.996   6.000  -3.202
  140   HH12  ARG  18          2HH1      ARG  18 -35.475   5.159  -3.543
  141   HH21  ARG  18          1HH2      ARG  18 -34.757   4.668  -6.937
  142   HH22  ARG  18          2HH2      ARG  18 -35.908   4.402  -5.664
  143    H    LYS  19           HN       LYS  19 -27.814   4.094  -3.894
  144    HA   LYS  19           HA       LYS  19 -27.097   1.698  -5.446
  145    HB2  LYS  19          3HB       LYS  19 -25.260   1.227  -3.985
  146    HB3  LYS  19          2HB       LYS  19 -25.097   2.884  -4.535
  147    HG2  LYS  19          3HG       LYS  19 -26.344   2.226  -1.890
  148    HG3  LYS  19          2HG       LYS  19 -24.599   2.364  -2.085
  149    HD2  LYS  19          3HD       LYS  19 -24.851   4.650  -2.875
  150    HD3  LYS  19          2HD       LYS  19 -26.603   4.512  -2.749
  151    HE2  LYS  19          3HE       LYS  19 -26.370   4.108  -0.329
  152    HE3  LYS  19          2HE       LYS  19 -24.628   4.328  -0.481
  153    HZ1  LYS  19          1HZ       LYS  19 -26.687   6.380  -1.087
  154    HZ2  LYS  19          2HZ       LYS  19 -25.018   6.590  -1.232
  155    HZ3  LYS  19          3HZ       LYS  19 -25.706   6.342   0.290
  156    H    SER  20           HN       SER  20 -29.608   2.426  -4.168
  157    HA   SER  20           HA       SER  20 -29.835   0.692  -1.851
  158    HB2  SER  20          3HB       SER  20 -32.316   1.386  -2.151
  159    HB3  SER  20          2HB       SER  20 -31.153   2.620  -1.670
  160    HG   SER  20           HG       SER  20 -32.755   2.850  -3.624
  161    H    HIS  21           HN       HIS  21 -30.221   0.502  -5.289
  162    HA   HIS  21           HA       HIS  21 -32.065  -1.660  -5.366
  163    HB2  HIS  21          3HB       HIS  21 -31.513  -1.827  -7.720
  164    HB3  HIS  21          2HB       HIS  21 -31.661  -0.130  -7.283
  165    HD1  HIS  21          1HD       HIS  21 -29.639   1.347  -7.694
  166    HD2  HIS  21          2HD       HIS  21 -28.829  -2.692  -8.199
  167    HE1  HIS  21          1HE       HIS  21 -27.331   1.240  -8.675
  168    HE2  HIS  21          2HE       HIS  21 -26.768  -1.222  -8.695
  169    H    THR  22           HN       THR  22 -29.271  -1.710  -3.889
  170    HA   THR  22           HA       THR  22 -27.751  -3.771  -5.164
  171    HB   THR  22           HB       THR  22 -26.798  -3.894  -2.680
  172    HG1  THR  22          1HG       THR  22 -27.343  -1.253  -2.428
  173   HG21  THR  22          1HG2      THR  22 -26.368  -1.572  -4.579
  174   HG22  THR  22          2HG2      THR  22 -25.544  -3.129  -4.630
  175   HG23  THR  22          3HG2      THR  22 -25.287  -2.040  -3.268
  176    H    SER  23           HN       SER  23 -30.717  -4.474  -4.195
  177    HA   SER  23           HA       SER  23 -30.286  -6.608  -2.349
  178    HB2  SER  23          3HB       SER  23 -32.663  -7.223  -3.088
  179    HB3  SER  23          2HB       SER  23 -32.458  -5.645  -2.328
  180    HG   SER  23           HG       SER  23 -33.354  -6.243  -4.796
  181    H    LEU  24           HN       LEU  24 -30.302  -6.188  -5.775
  182    HA   LEU  24           HA       LEU  24 -29.452  -8.981  -6.101
  183    HB2  LEU  24          3HB       LEU  24 -31.157  -7.359  -7.994
  184    HB3  LEU  24          2HB       LEU  24 -30.464  -8.922  -8.374
  185    HG   LEU  24           HG       LEU  24 -32.486  -8.410  -6.189
  186   HD11  LEU  24          1HD1      LEU  24 -33.450  -8.116  -8.406
  187   HD12  LEU  24          2HD1      LEU  24 -34.050  -9.590  -7.648
  188   HD13  LEU  24          3HD1      LEU  24 -32.814  -9.683  -8.902
  189   HD21  LEU  24          1HD2      LEU  24 -32.637 -10.858  -6.101
  190   HD22  LEU  24          2HD2      LEU  24 -31.026 -10.282  -5.673
  191   HD23  LEU  24          3HD2      LEU  24 -31.321 -10.974  -7.269
  192    H    GLU  25           HN       GLU  25 -27.561  -7.280  -5.547
  193    HA   GLU  25           HA       GLU  25 -25.964  -7.165  -7.885
  194    HB2  GLU  25          3HB       GLU  25 -27.329  -5.096  -8.204
  195    HB3  GLU  25          2HB       GLU  25 -26.721  -4.501  -6.666
  196    HG2  GLU  25          3HG       GLU  25 -24.469  -4.459  -7.522
  197    HG3  GLU  25          2HG       GLU  25 -25.003  -5.175  -9.041
  198    H    ASP  26           HN       ASP  26 -24.665  -8.403  -6.657
  199    HA   ASP  26           HA       ASP  26 -23.908  -7.979  -4.001
  200    HB2  ASP  26          3HB       ASP  26 -22.347  -9.348  -6.185
  201    HB3  ASP  26          2HB       ASP  26 -22.103  -9.569  -4.459
  202    H    ASP  27           HN       ASP  27 -22.107  -7.100  -3.069
  203    HA   ASP  27           HA       ASP  27 -21.051  -4.765  -4.360
  204    HB2  ASP  27          3HB       ASP  27 -21.626  -4.705  -1.978
  205    HB3  ASP  27          2HB       ASP  27 -20.462  -5.981  -1.653
  206    H    ASP  28           HN       ASP  28 -20.177  -7.955  -4.022
  207    HA   ASP  28           HA       ASP  28 -17.387  -7.886  -3.967
  208    HB2  ASP  28          3HB       ASP  28 -18.728  -9.916  -3.559
  209    HB3  ASP  28          2HB       ASP  28 -19.162  -9.949  -5.265
  210    H    ASP  29           HN       ASP  29 -19.297  -8.751  -6.766
  211    HA   ASP  29           HA       ASP  29 -17.168  -7.957  -8.547
  212    HB2  ASP  29          3HB       ASP  29 -18.698  -8.780 -10.338
  213    HB3  ASP  29          2HB       ASP  29 -18.352  -9.979  -9.097
  214    H    GLY  30           HN       GLY  30 -19.838  -6.447  -7.143
  215    HA2  GLY  30          2HA       GLY  30 -20.455  -4.649  -9.296
  216    HA3  GLY  30          1HA       GLY  30 -21.010  -4.519  -7.635
  217    H    SER  31           HN       SER  31 -17.868  -4.848  -7.183
  218    HA   SER  31           HA       SER  31 -17.357  -1.957  -7.346
  219    HB2  SER  31          3HB       SER  31 -16.126  -3.997  -5.480
  220    HB3  SER  31          2HB       SER  31 -15.817  -2.261  -5.467
  221    HG   SER  31           HG       SER  31 -18.071  -3.693  -4.631
  222    H    ARG  32           HN       ARG  32 -16.888  -4.013  -9.449
  223    HA   ARG  32           HA       ARG  32 -13.948  -3.881  -9.596
  224    HB2  ARG  32          3HB       ARG  32 -15.749  -5.713 -11.193
  225    HB3  ARG  32          2HB       ARG  32 -13.996  -5.737 -11.138
  226    HG2  ARG  32          3HG       ARG  32 -14.145  -6.298  -8.716
  227    HG3  ARG  32          2HG       ARG  32 -15.891  -6.453  -8.918
  228    HD2  ARG  32          3HD       ARG  32 -13.727  -8.087 -10.224
  229    HD3  ARG  32          2HD       ARG  32 -14.955  -8.637  -9.089
  230    HE   ARG  32           HE       ARG  32 -16.445  -7.732 -11.130
  231   HH11  ARG  32          1HH1      ARG  32 -13.674  -9.866 -11.039
  232   HH12  ARG  32          2HH1      ARG  32 -14.152 -10.760 -12.444
  233   HH21  ARG  32          1HH2      ARG  32 -17.079  -8.902 -12.988
  234   HH22  ARG  32          2HH2      ARG  32 -16.092 -10.211 -13.557
  235    H    GLY  33           HN       GLY  33 -13.080  -3.681 -11.835
  236    HA2  GLY  33          2HA       GLY  33 -13.944  -2.836 -14.127
  237    HA3  GLY  33          1HA       GLY  33 -14.499  -1.478 -13.157
  238    H    GLY  34           HN       GLY  34 -13.085   0.018 -12.445
  239    HA2  GLY  34          2HA       GLY  34 -10.258  -0.336 -13.246
  240    HA3  GLY  34          1HA       GLY  34 -11.073   1.222 -13.109
  241    H    ASP  35           HN       ASP  35 -10.751  -1.656 -11.084
  242    HA   ASP  35           HA       ASP  35 -10.966  -0.084  -8.696
  243    HB2  ASP  35          3HB       ASP  35 -10.836  -2.276  -7.540
  244    HB3  ASP  35          2HB       ASP  35 -12.072  -2.237  -8.789
  245    H    CYS  36           HN       CYS  36  -8.682   0.646 -10.111
  246    HA   CYS  36           HA       CYS  36  -6.535  -0.339  -8.352
  247    HB2  CYS  36          3HB       CYS  36  -6.276   1.082 -11.015
  248    HB3  CYS  36          2HB       CYS  36  -4.950   0.468 -10.033
  249    HG   CYS  36           HG       CYS  36  -6.724  -2.122 -10.370
  250    H    GLU  37           HN       GLU  37  -7.049   0.976  -6.629
  251    HA   GLU  37           HA       GLU  37  -6.543   3.844  -7.052
  252    HB2  GLU  37          3HB       GLU  37  -8.229   2.521  -4.914
  253    HB3  GLU  37          2HB       GLU  37  -7.857   4.237  -4.983
  254    HG2  GLU  37          3HG       GLU  37  -8.999   4.342  -7.181
  255    HG3  GLU  37          2HG       GLU  37  -9.471   2.657  -6.970
  256    H    GLY  38           HN       GLY  38  -4.299   2.839  -6.948
  257    HA2  GLY  38          2HA       GLY  38  -3.279   1.995  -4.418
  258    HA3  GLY  38          1HA       GLY  38  -2.301   2.545  -5.776
  259    H    CYS  39           HN       CYS  39  -2.539   3.134  -2.720
  260    HA   CYS  39           HA       CYS  39  -3.029   6.008  -2.776
  261    HB2  CYS  39          3HB       CYS  39  -2.389   4.229  -0.415
  262    HB3  CYS  39          2HB       CYS  39  -2.968   5.889  -0.353
  263    H    SER  40           HN       SER  40  -0.958   5.655  -4.246
  264    HA   SER  40           HA       SER  40   1.497   5.224  -2.880
  265    HB2  SER  40          3HB       SER  40   1.347   4.634  -5.147
  266    HB3  SER  40          2HB       SER  40   0.855   6.251  -5.638
  267    HG   SER  40           HG       SER  40   3.137   5.657  -5.982
  268    H    GLY  41           HN       GLY  41   3.172   6.703  -2.487
  269    HA2  GLY  41          2HA       GLY  41   3.811   8.982  -1.817
  270    HA3  GLY  41          1HA       GLY  41   2.115   9.430  -1.984
  271    H    THR  42           HN       THR  42   1.227   6.927  -0.559
  272    HA   THR  42           HA       THR  42   1.611   7.982   2.137
  273    HB   THR  42           HB       THR  42  -0.099   5.678   1.172
  274    HG1  THR  42          1HG       THR  42  -0.574   8.438   1.587
  275   HG21  THR  42          1HG2      THR  42  -0.076   7.117   3.830
  276   HG22  THR  42          2HG2      THR  42   0.496   5.473   3.544
  277   HG23  THR  42          3HG2      THR  42  -1.214   5.857   3.347
  278    H    ALA  43           HN       ALA  43   2.699   6.975   3.751
  279    HA   ALA  43           HA       ALA  43   4.473   4.802   2.891
  280    HB1  ALA  43          1HB       ALA  43   5.524   6.835   3.778
  281    HB2  ALA  43          2HB       ALA  43   5.869   5.425   4.779
  282    HB3  ALA  43          3HB       ALA  43   4.667   6.604   5.302
  283    H    CYS  44           HN       CYS  44   4.314   2.903   3.555
  284    HA   CYS  44           HA       CYS  44   2.617   2.210   5.847
  285    HB2  CYS  44          3HB       CYS  44   2.818  -0.098   4.914
  286    HB3  CYS  44          2HB       CYS  44   2.045   1.048   3.821
  287    H    SER  45           HN       SER  45   3.571   1.606   7.679
  288    HA   SER  45           HA       SER  45   6.212   0.378   7.555
  289    HB2  SER  45          3HB       SER  45   5.630   0.078  10.110
  290    HB3  SER  45          2HB       SER  45   6.093   1.665   9.494
  291    HG   SER  45           HG       SER  45   4.280   2.142  10.519
  292    H    SER  46           HN       SER  46   2.829  -0.375   7.757
  293    HA   SER  46           HA       SER  46   3.489  -3.229   7.938
  294    HB2  SER  46          3HB       SER  46   0.871  -1.892   8.629
  295    HB3  SER  46          2HB       SER  46   1.266  -3.597   8.849
  296    HG   SER  46           HG       SER  46   3.022  -2.794  10.247
  297    H    ASP  47           HN       ASP  47   2.689  -4.619   6.405
  298    HA   ASP  47           HA       ASP  47   1.895  -3.687   3.905
  299    HB2  ASP  47          3HB       ASP  47   1.674  -6.418   5.148
  300    HB3  ASP  47          2HB       ASP  47   1.239  -6.091   3.475
  301    H    ALA  48           HN       ALA  48  -0.120  -5.099   6.500
  302    HA   ALA  48           HA       ALA  48  -2.409  -5.295   5.003
  303    HB1  ALA  48          1HB       ALA  48  -3.565  -5.598   7.125
  304    HB2  ALA  48          2HB       ALA  48  -2.144  -4.997   7.980
  305    HB3  ALA  48          3HB       ALA  48  -2.055  -6.505   7.073
  306    H    GLN  49           HN       GLN  49  -1.018  -2.432   6.310
  307    HA   GLN  49           HA       GLN  49  -3.537  -1.183   6.888
  308    HB2  GLN  49          3HB       GLN  49  -2.289   0.806   7.454
  309    HB3  GLN  49          2HB       GLN  49  -1.556  -0.600   8.208
  310    HG2  GLN  49          3HG       GLN  49   0.169  -0.620   6.477
  311    HG3  GLN  49          2HG       GLN  49  -0.568   0.800   5.737
  312   HE21  GLN  49          1HE2      GLN  49  -1.255   1.994   8.302
  313   HE22  GLN  49          2HE2      GLN  49   0.228   2.598   8.957
  314    H    CYS  50           HN       CYS  50  -1.406  -1.356   4.142
  315    HA   CYS  50           HA       CYS  50  -2.988   0.748   2.807
  316    HB2  CYS  50          3HB       CYS  50  -1.029  -0.783   1.207
  317    HB3  CYS  50          2HB       CYS  50  -1.378   0.935   1.213
  318    H    ARG  51           HN       ARG  51  -2.053  -2.613   2.437
  319    HA   ARG  51           HA       ARG  51  -3.644  -3.445   0.400
  320    HB2  ARG  51          3HB       ARG  51  -2.076  -4.963   1.243
  321    HB3  ARG  51          2HB       ARG  51  -2.627  -4.763   2.900
  322    HG2  ARG  51          3HG       ARG  51  -3.249  -6.924   2.072
  323    HG3  ARG  51          2HG       ARG  51  -4.667  -5.914   2.355
  324    HD2  ARG  51          3HD       ARG  51  -4.826  -5.435  -0.027
  325    HD3  ARG  51          2HD       ARG  51  -3.361  -6.367  -0.327
  326    HE   ARG  51           HE       ARG  51  -5.202  -8.037   0.943
  327   HH11  ARG  51          1HH1      ARG  51  -4.812  -6.339  -2.091
  328   HH12  ARG  51          2HH1      ARG  51  -5.737  -7.485  -3.004
  329   HH21  ARG  51          1HH2      ARG  51  -6.419  -9.563  -0.259
  330   HH22  ARG  51          2HH2      ARG  51  -6.660  -9.315  -1.961
  331    H    ALA  52           HN       ALA  52  -4.563  -3.418   3.874
  332    HA   ALA  52           HA       ALA  52  -7.257  -4.216   3.200
  333    HB1  ALA  52          1HB       ALA  52  -7.703  -4.105   5.591
  334    HB2  ALA  52          2HB       ALA  52  -6.126  -3.363   5.863
  335    HB3  ALA  52          3HB       ALA  52  -6.231  -5.021   5.267
  336    H    ARG  53           HN       ARG  53  -5.575  -1.315   3.233
  337    HA   ARG  53           HA       ARG  53  -7.893   0.318   3.716
  338    HB2  ARG  53          3HB       ARG  53  -5.513   1.057   4.172
  339    HB3  ARG  53          2HB       ARG  53  -5.325   1.198   2.430
  340    HG2  ARG  53          3HG       ARG  53  -7.095   2.870   2.361
  341    HG3  ARG  53          2HG       ARG  53  -7.320   2.715   4.104
  342    HD2  ARG  53          3HD       ARG  53  -4.830   3.668   2.690
  343    HD3  ARG  53          2HD       ARG  53  -5.969   4.669   3.593
  344    HE   ARG  53           HE       ARG  53  -5.048   2.656   5.300
  345   HH11  ARG  53          1HH1      ARG  53  -3.794   5.459   3.621
  346   HH12  ARG  53          2HH1      ARG  53  -2.579   5.781   4.813
  347   HH21  ARG  53          1HH2      ARG  53  -3.449   3.066   6.853
  348   HH22  ARG  53          2HH2      ARG  53  -2.357   4.400   6.639
  349    H    GLY  54           HN       GLY  54  -7.194  -1.735   1.382
  350    HA2  GLY  54          2HA       GLY  54  -8.295  -2.039  -0.639
  351    HA3  GLY  54          1HA       GLY  54  -8.908  -0.395  -0.523
  352    H    CYS  55           HN       CYS  55  -6.032   0.440   0.071
  353    HA   CYS  55           HA       CYS  55  -5.371   1.452  -2.386
  354    HB2  CYS  55          3HB       CYS  55  -3.330   0.749  -0.262
  355    HB3  CYS  55          2HB       CYS  55  -3.184   1.969  -1.513
  356    H    ASP  56           HN       ASP  56  -3.553  -1.416  -1.050
  357    HA   ASP  56           HA       ASP  56  -4.127  -3.260  -2.934
  358    HB2  ASP  56          3HB       ASP  56  -3.211  -1.725  -4.699
  359    HB3  ASP  56          2HB       ASP  56  -1.654  -1.745  -3.872
  360    H    GLY  57           HN       GLY  57  -1.038  -1.730  -1.849
  361    HA2  GLY  57          2HA       GLY  57  -0.897  -3.446   0.397
  362    HA3  GLY  57          1HA       GLY  57   0.098  -4.077  -0.904
  363    H    CYS  58           HN       CYS  58   1.623  -3.777   0.796
  364    HA   CYS  58           HA       CYS  58   2.811  -1.099   0.844
  365    HB2  CYS  58          3HB       CYS  58   2.227  -2.025   3.059
  366    HB3  CYS  58          2HB       CYS  58   3.187  -3.457   2.703
  367    H    SER  59           HN       SER  59   4.776  -0.868  -0.086
  368    HA   SER  59           HA       SER  59   6.009  -3.279  -1.190
  369    HB2  SER  59          3HB       SER  59   5.622  -1.163  -2.578
  370    HB3  SER  59          2HB       SER  59   6.918  -0.429  -1.635
  371    HG   SER  59           HG       SER  59   7.373  -2.923  -2.842
  372    H    THR  60           HN       THR  60   8.316  -3.735  -0.761
  373    HA   THR  60           HA       THR  60   8.961  -3.590   1.950
  374    HB   THR  60           HB       THR  60  11.365  -3.960   0.495
  375    HG1  THR  60          1HG       THR  60  10.409  -4.350  -1.414
  376   HG21  THR  60          1HG2      THR  60  10.690  -5.141   2.537
  377   HG22  THR  60          2HG2      THR  60  11.089  -6.273   1.247
  378   HG23  THR  60          3HG2      THR  60   9.402  -5.949   1.645
  379    H    SER  61           HN       SER  61   9.003  -0.852   0.154
  380    HA   SER  61           HA       SER  61  11.385   0.195   1.474
  381    HB2  SER  61          3HB       SER  61  11.361   0.331  -1.019
  382    HB3  SER  61          2HB       SER  61   9.923   1.341  -0.914
  383    HG   SER  61           HG       SER  61  11.898   2.297   0.672
  384    H    GLY  62           HN       GLY  62   8.472  -0.174   2.408
  385    HA2  GLY  62          2HA       GLY  62   7.185   0.927   3.946
  386    HA3  GLY  62          1HA       GLY  62   8.421   2.170   3.998
  387    H    VAL  63           HN       VAL  63   6.492   1.160   1.194
  388    HA   VAL  63           HA       VAL  63   5.041   3.700   1.372
  389    HB   VAL  63           HB       VAL  63   5.177   3.967  -1.108
  390   HG11  VAL  63          1HG1      VAL  63   7.802   4.051   0.374
  391   HG12  VAL  63          2HG1      VAL  63   6.568   5.311   0.366
  392   HG13  VAL  63          3HG1      VAL  63   7.435   4.917  -1.118
  393   HG21  VAL  63          1HG2      VAL  63   5.797   1.661  -1.666
  394   HG22  VAL  63          2HG2      VAL  63   7.366   1.914  -0.903
  395   HG23  VAL  63          3HG2      VAL  63   6.931   2.831  -2.338
  396    H    CYS  64           HN       CYS  64   3.047   3.754   0.263
  397    HA   CYS  64           HA       CYS  64   1.753   1.101   0.326
  398    HB2  CYS  64          3HB       CYS  64   0.616   3.872   0.833
  399    HB3  CYS  64          2HB       CYS  64  -0.403   2.493   0.529
  400    H    VAL  65           HN       VAL  65   1.258   0.253  -1.569
  401    HA   VAL  65           HA       VAL  65   0.855   1.910  -3.928
  402    HB   VAL  65           HB       VAL  65   2.848   1.240  -5.094
  403   HG11  VAL  65          1HG1      VAL  65   3.602   2.005  -2.295
  404   HG12  VAL  65          2HG1      VAL  65   3.191   3.110  -3.610
  405   HG13  VAL  65          3HG1      VAL  65   4.654   2.126  -3.707
  406   HG21  VAL  65          1HG2      VAL  65   2.875  -1.088  -4.114
  407   HG22  VAL  65          2HG2      VAL  65   3.725  -0.403  -2.727
  408   HG23  VAL  65          3HG2      VAL  65   4.450  -0.328  -4.330
  409    H    LEU  66           HN       LEU  66   1.040   0.232  -5.938
  410    HA   LEU  66           HA       LEU  66  -0.423  -2.143  -5.415
  411    HB2  LEU  66          3HB       LEU  66   1.408  -1.614  -7.759
  412    HB3  LEU  66          2HB       LEU  66   0.048  -2.719  -7.697
  413    HG   LEU  66           HG       LEU  66  -0.165   0.290  -7.566
  414   HD11  LEU  66          1HD1      LEU  66  -1.091   0.125  -9.814
  415   HD12  LEU  66          2HD1      LEU  66  -0.771  -1.609  -9.823
  416   HD13  LEU  66          3HD1      LEU  66   0.570  -0.464  -9.759
  417   HD21  LEU  66          1HD2      LEU  66  -2.564  -0.103  -7.870
  418   HD22  LEU  66          2HD2      LEU  66  -1.967  -0.816  -6.371
  419   HD23  LEU  66          3HD2      LEU  66  -2.286  -1.841  -7.771
  420    H    SER  67           HN       SER  67   0.391  -3.924  -4.404
  421    HA   SER  67           HA       SER  67   2.772  -3.733  -3.008
  422    HB2  SER  67          3HB       SER  67   1.544  -6.415  -3.700
  423    HB3  SER  67          2HB       SER  67   2.331  -5.915  -2.205
  424    HG   SER  67           HG       SER  67  -0.166  -4.964  -3.195
  425    H    SER  68           HN       SER  68   4.797  -5.056  -3.097
  426    HA   SER  68           HA       SER  68   5.614  -5.485  -5.870
  427    HB2  SER  68          3HB       SER  68   7.946  -5.423  -4.769
  428    HB3  SER  68          2HB       SER  68   7.046  -3.909  -4.859
  429    HG   SER  68           HG       SER  68   7.321  -5.630  -2.615
  430    H    LEU  69           HN       LEU  69   4.985  -7.542  -6.286
  431    HA   LEU  69           HA       LEU  69   5.484  -9.652  -4.361
  432    HB2  LEU  69          3HB       LEU  69   4.169  -9.606  -7.069
  433    HB3  LEU  69          2HB       LEU  69   4.495 -11.099  -6.219
  434    HG   LEU  69           HG       LEU  69   2.222 -10.581  -5.834
  435   HD11  LEU  69          1HD1      LEU  69   3.447 -11.378  -3.874
  436   HD12  LEU  69          2HD1      LEU  69   2.097 -10.334  -3.435
  437   HD13  LEU  69          3HD1      LEU  69   3.744  -9.709  -3.389
  438   HD21  LEU  69          1HD2      LEU  69   1.453  -8.451  -4.909
  439   HD22  LEU  69          2HD2      LEU  69   2.233  -8.242  -6.475
  440   HD23  LEU  69          3HD2      LEU  69   3.098  -7.822  -4.997
  441    H    HIS  70           HN       HIS  70   6.296 -11.780  -5.442
  442    HA   HIS  70           HA       HIS  70   8.008 -12.983  -6.301
  443    HB2  HIS  70          3HB       HIS  70   8.239 -10.640  -8.196
  444    HB3  HIS  70          2HB       HIS  70   9.173 -12.122  -8.350
  445    HD1  HIS  70          1HD       HIS  70   8.117 -13.974  -9.645
  446    HD2  HIS  70          2HD       HIS  70   5.374 -11.055  -8.537
  447    HE1  HIS  70          1HE       HIS  70   5.989 -14.559 -10.840
  448    HE2  HIS  70          2HE       HIS  70   4.410 -12.668 -10.315
  449    H    HIS  71           HN       HIS  71   9.213 -12.809  -4.337
  450    HA   HIS  71           HA       HIS  71  11.151 -10.731  -4.020
  451    HB2  HIS  71          3HB       HIS  71  12.001 -11.956  -2.153
  452    HB3  HIS  71          2HB       HIS  71  10.255 -12.136  -2.121
  453    HD1  HIS  71          1HD       HIS  71  13.394 -14.044  -2.280
  454    HD2  HIS  71          2HD       HIS  71   9.340 -14.767  -2.840
  455    HE1  HIS  71          1HE       HIS  71  13.144 -16.545  -2.251
  456    HE2  HIS  71          2HE       HIS  71  10.712 -16.956  -2.763
  457    H    HIS  72           HN       HIS  72  10.988 -13.746  -5.666
  458    HA   HIS  72           HA       HIS  72  13.804 -13.588  -6.459
  459    HB2  HIS  72          3HB       HIS  72  12.764 -15.791  -5.792
  460    HB3  HIS  72          2HB       HIS  72  11.728 -15.664  -7.207
  461    HD1  HIS  72          1HD       HIS  72  12.559 -17.305  -8.839
  462    HD2  HIS  72          2HD       HIS  72  15.673 -15.293  -6.966
  463    HE1  HIS  72          1HE       HIS  72  14.663 -18.175  -9.905
  464    HE2  HIS  72          2HE       HIS  72  16.516 -16.811  -8.883
  465    H    HIS  73           HN       HIS  73  14.368 -12.731  -8.386
  466    HA   HIS  73           HA       HIS  73  14.191 -11.473 -10.258
  467    HB2  HIS  73          3HB       HIS  73  11.726 -13.163 -10.629
  468    HB3  HIS  73          2HB       HIS  73  12.126 -11.869 -11.752
  469    HD1  HIS  73          1HD       HIS  73  14.105 -12.245 -13.342
  470    HD2  HIS  73          2HD       HIS  73  13.400 -15.415 -10.749
  471    HE1  HIS  73          1HE       HIS  73  15.490 -14.150 -14.214
  472    HE2  HIS  73          2HE       HIS  73  14.906 -16.105 -12.737
  473    H    HIS  74           HN       HIS  74  13.660 -10.264  -8.008
  474    HA   HIS  74           HA       HIS  74  11.116  -8.895  -8.064
  475    HB2  HIS  74          3HB       HIS  74  11.984  -7.698  -6.069
  476    HB3  HIS  74          2HB       HIS  74  12.056  -9.445  -5.894
  477    HD1  HIS  74          1HD       HIS  74  14.209 -10.326  -5.043
  478    HD2  HIS  74          2HD       HIS  74  14.661  -6.592  -6.827
  479    HE1  HIS  74          1HE       HIS  74  16.610  -9.680  -4.673
  480    HE2  HIS  74          2HE       HIS  74  16.896  -7.490  -5.882
  481    H    HIS  75           HN       HIS  75  11.219  -6.429  -7.740
  482    HA   HIS  75           HA       HIS  75  12.692  -5.275  -9.943
  483    HB2  HIS  75          3HB       HIS  75  10.349  -4.591  -9.394
  484    HB3  HIS  75          2HB       HIS  75  10.940  -3.901  -7.887
  485    HD1  HIS  75          1HD       HIS  75  12.521  -1.778  -8.120
  486    HD2  HIS  75          2HD       HIS  75  10.636  -2.999 -11.616
  487    HE1  HIS  75          1HE       HIS  75  12.706   0.163  -9.701
  488    HE2  HIS  75          2HE       HIS  75  11.768  -0.691 -11.876
  Start of MODEL    7
    1    H1   MET   1          1HT       MET   1  10.631  -5.015 -15.135
    2    H2   MET   1          2HT       MET   1  10.497  -6.428 -14.223
    3    H3   MET   1          3HT       MET   1  11.026  -4.998 -13.493
    4    HA   MET   1           HA       MET   1   8.340  -5.488 -14.621
    5    HB2  MET   1          3HB       MET   1   9.339  -5.319 -11.781
    6    HB3  MET   1          2HB       MET   1   7.640  -5.199 -12.210
    7    HG2  MET   1          3HG       MET   1   7.688  -7.428 -13.144
    8    HG3  MET   1          2HG       MET   1   9.414  -7.551 -12.812
    9    HE1  MET   1          1HE       MET   1   7.784 -10.050 -10.260
   10    HE2  MET   1          2HE       MET   1   8.923  -9.869 -11.594
   11    HE3  MET   1          3HE       MET   1   7.192  -9.688 -11.880
   12    H    CYS   2           HN       CYS   2   9.081  -3.494 -15.858
   13    HA   CYS   2           HA       CYS   2   8.677  -1.051 -14.297
   14    HB2  CYS   2          3HB       CYS   2   9.192   0.092 -16.461
   15    HB3  CYS   2          2HB       CYS   2  10.488  -0.957 -15.899
   16    HG   CYS   2           HG       CYS   2   8.537  -2.732 -17.836
   17    H    GLU   3           HN       GLU   3   6.728  -3.253 -15.107
   18    HA   GLU   3           HA       GLU   3   4.876  -1.949 -16.882
   19    HB2  GLU   3          3HB       GLU   3   4.692  -4.545 -15.338
   20    HB3  GLU   3          2HB       GLU   3   3.484  -3.981 -16.481
   21    HG2  GLU   3          3HG       GLU   3   4.859  -5.616 -17.553
   22    HG3  GLU   3          2HG       GLU   3   5.197  -4.042 -18.265
   23    H    PHE   4           HN       PHE   4   3.962  -0.214 -16.000
   24    HA   PHE   4           HA       PHE   4   2.735  -0.486 -13.310
   25    HB2  PHE   4          3HB       PHE   4   4.455   1.324 -13.565
   26    HB3  PHE   4          2HB       PHE   4   3.435   2.079 -14.785
   27    HD1  PHE   4          1HD       PHE   4   3.652   1.179 -11.216
   28    HD2  PHE   4          2HD       PHE   4   1.593   3.416 -14.192
   29    HE1  PHE   4          1HE       PHE   4   2.453   2.410  -9.457
   30    HE2  PHE   4          2HE       PHE   4   0.388   4.648 -12.440
   31    HZ   PHE   4           HZ       PHE   4   0.818   4.148 -10.068
   32    H    ILE   5           HN       ILE   5   0.678  -0.792 -13.325
   33    HA   ILE   5           HA       ILE   5  -1.506  -1.105 -14.099
   34    HB   ILE   5           HB       ILE   5  -1.467   1.228 -13.160
   35   HG12  ILE   5          3HG1      ILE   5  -3.454   0.715 -15.378
   36   HG13  ILE   5          2HG1      ILE   5  -3.537   0.038 -13.756
   37   HG21  ILE   5          1HG2      ILE   5  -1.734   3.127 -14.683
   38   HG22  ILE   5          2HG2      ILE   5  -1.376   2.071 -16.049
   39   HG23  ILE   5          3HG2      ILE   5  -0.144   2.380 -14.827
   40   HD11  ILE   5          1HD1      ILE   5  -5.047   1.925 -14.025
   41   HD12  ILE   5          2HD1      ILE   5  -3.683   2.964 -14.442
   42   HD13  ILE   5          3HD1      ILE   5  -3.801   2.267 -12.825
   43    H    GLU   6           HN       GLU   6   0.096  -2.171 -15.843
   44    HA   GLU   6           HA       GLU   6  -0.354  -1.078 -18.479
   45    HB2  GLU   6          3HB       GLU   6   1.227  -3.455 -17.509
   46    HB3  GLU   6          2HB       GLU   6   0.981  -3.119 -19.213
   47    HG2  GLU   6          3HG       GLU   6   2.286  -1.215 -17.283
   48    HG3  GLU   6          2HG       GLU   6   3.150  -2.329 -18.340
   49    H    ASP   7           HN       ASP   7  -1.761  -3.324 -16.385
   50    HA   ASP   7           HA       ASP   7  -2.700  -5.160 -18.390
   51    HB2  ASP   7          3HB       ASP   7  -3.437  -4.941 -15.467
   52    HB3  ASP   7          2HB       ASP   7  -3.844  -6.283 -16.532
   53    H    SER   8           HN       SER   8  -3.602  -2.163 -18.055
   54    HA   SER   8           HA       SER   8  -6.472  -2.523 -18.115
   55    HB2  SER   8          3HB       SER   8  -4.861  -0.080 -18.895
   56    HB3  SER   8          2HB       SER   8  -6.580  -0.137 -18.507
   57    HG   SER   8           HG       SER   8  -5.778  -0.992 -16.379
   58    H    GLU   9           HN       GLU   9  -3.944  -1.515 -20.408
   59    HA   GLU   9           HA       GLU   9  -5.749  -1.962 -22.647
   60    HB2  GLU   9          3HB       GLU   9  -2.902  -0.953 -22.580
   61    HB3  GLU   9          2HB       GLU   9  -3.942  -0.988 -23.996
   62    HG2  GLU   9          3HG       GLU   9  -5.403   0.640 -23.060
   63    HG3  GLU   9          2HG       GLU   9  -4.599   0.547 -21.495
   64    H    ASP  10           HN       ASP  10  -3.299  -3.617 -20.940
   65    HA   ASP  10           HA       ASP  10  -2.640  -5.334 -23.203
   66    HB2  ASP  10          3HB       ASP  10  -0.836  -4.551 -21.689
   67    HB3  ASP  10          2HB       ASP  10  -1.601  -5.425 -20.364
   68    H    ILE  11           HN       ILE  11  -4.301  -6.648 -23.620
   69    HA   ILE  11           HA       ILE  11  -6.054  -7.775 -21.732
   70    HB   ILE  11           HB       ILE  11  -5.407  -8.804 -24.503
   71   HG12  ILE  11          3HG1      ILE  11  -7.564  -6.877 -23.610
   72   HG13  ILE  11          2HG1      ILE  11  -6.093  -6.418 -24.459
   73   HG21  ILE  11          1HG2      ILE  11  -6.618 -10.436 -23.153
   74   HG22  ILE  11          2HG2      ILE  11  -7.647  -9.793 -24.432
   75   HG23  ILE  11          3HG2      ILE  11  -7.843  -9.226 -22.773
   76   HD11  ILE  11          1HD1      ILE  11  -8.274  -8.197 -25.525
   77   HD12  ILE  11          2HD1      ILE  11  -6.795  -7.759 -26.380
   78   HD13  ILE  11          3HD1      ILE  11  -7.980  -6.518 -25.973
   79    H    GLN  12           HN       GLN  12  -2.932  -8.803 -22.892
   80    HA   GLN  12           HA       GLN  12  -3.011 -11.511 -22.302
   81    HB2  GLN  12          3HB       GLN  12  -1.252 -10.443 -23.621
   82    HB3  GLN  12          2HB       GLN  12  -0.695  -9.580 -22.191
   83    HG2  GLN  12          3HG       GLN  12  -0.226 -11.729 -21.125
   84    HG3  GLN  12          2HG       GLN  12  -0.698 -12.543 -22.608
   85   HE21  GLN  12          1HE2      GLN  12   0.531 -10.498 -24.305
   86   HE22  GLN  12          2HE2      GLN  12   2.236 -10.772 -24.217
   87    H    GLY  13           HN       GLY  13  -2.354  -8.708 -20.274
   88    HA2  GLY  13          2HA       GLY  13  -1.310  -9.967 -18.024
   89    HA3  GLY  13          1HA       GLY  13  -2.241  -8.477 -17.997
   90    H    LEU  14           HN       LEU  14  -4.695  -9.437 -18.910
   91    HA   LEU  14           HA       LEU  14  -5.718 -10.577 -16.498
   92    HB2  LEU  14          3HB       LEU  14  -7.051 -10.083 -19.162
   93    HB3  LEU  14          2HB       LEU  14  -7.892 -10.638 -17.733
   94    HG   LEU  14           HG       LEU  14  -8.349  -8.343 -17.863
   95   HD11  LEU  14          1HD1      LEU  14  -6.051  -8.639 -15.942
   96   HD12  LEU  14          2HD1      LEU  14  -7.737  -9.042 -15.621
   97   HD13  LEU  14          3HD1      LEU  14  -7.271  -7.367 -15.911
   98   HD21  LEU  14          1HD2      LEU  14  -6.657  -6.610 -18.173
   99   HD22  LEU  14          2HD2      LEU  14  -6.684  -7.738 -19.530
  100   HD23  LEU  14          3HD2      LEU  14  -5.411  -7.851 -18.314
  101    H    LYS  15           HN       LYS  15  -4.701 -11.774 -19.564
  102    HA   LYS  15           HA       LYS  15  -5.922 -14.378 -19.272
  103    HB2  LYS  15          3HB       LYS  15  -5.455 -13.387 -21.510
  104    HB3  LYS  15          2HB       LYS  15  -3.731 -13.510 -21.182
  105    HG2  LYS  15          3HG       LYS  15  -3.967 -15.952 -21.018
  106    HG3  LYS  15          2HG       LYS  15  -5.674 -15.793 -21.435
  107    HD2  LYS  15          3HD       LYS  15  -5.103 -14.843 -23.581
  108    HD3  LYS  15          2HD       LYS  15  -3.390 -14.840 -23.160
  109    HE2  LYS  15          3HE       LYS  15  -5.144 -17.271 -23.482
  110    HE3  LYS  15          2HE       LYS  15  -3.924 -16.710 -24.623
  111    HZ1  LYS  15          1HZ       LYS  15  -3.001 -18.458 -23.328
  112    HZ2  LYS  15          2HZ       LYS  15  -3.467 -17.733 -21.878
  113    HZ3  LYS  15          3HZ       LYS  15  -2.262 -17.022 -22.827
  114    H    SER  16           HN       SER  16  -3.268 -12.891 -17.872
  115    HA   SER  16           HA       SER  16  -1.593 -15.252 -17.749
  116    HB2  SER  16          3HB       SER  16  -1.226 -12.527 -16.480
  117    HB3  SER  16          2HB       SER  16  -0.015 -13.807 -16.554
  118    HG   SER  16           HG       SER  16  -1.219 -12.588 -18.828
  119    H    LEU  17           HN       LEU  17  -4.338 -14.703 -16.355
  120    HA   LEU  17           HA       LEU  17  -3.526 -15.612 -13.679
  121    HB2  LEU  17          3HB       LEU  17  -6.224 -14.684 -14.656
  122    HB3  LEU  17          2HB       LEU  17  -5.820 -15.105 -13.004
  123    HG   LEU  17           HG       LEU  17  -4.704 -12.762 -14.548
  124   HD11  LEU  17          1HD1      LEU  17  -5.971 -11.418 -12.932
  125   HD12  LEU  17          2HD1      LEU  17  -6.662 -12.895 -12.260
  126   HD13  LEU  17          3HD1      LEU  17  -7.021 -12.430 -13.923
  127   HD21  LEU  17          1HD2      LEU  17  -3.060 -13.652 -12.992
  128   HD22  LEU  17          2HD2      LEU  17  -4.251 -13.619 -11.691
  129   HD23  LEU  17          3HD2      LEU  17  -3.691 -12.111 -12.414
  130    H    ARG  18           HN       ARG  18  -3.578 -17.070 -16.243
  131    HA   ARG  18           HA       ARG  18  -5.641 -18.933 -16.415
  132    HB2  ARG  18          3HB       ARG  18  -4.012 -18.575 -18.191
  133    HB3  ARG  18          2HB       ARG  18  -2.723 -19.183 -17.165
  134    HG2  ARG  18          3HG       ARG  18  -3.704 -21.395 -17.193
  135    HG3  ARG  18          2HG       ARG  18  -5.066 -20.801 -18.149
  136    HD2  ARG  18          3HD       ARG  18  -3.529 -20.187 -19.948
  137    HD3  ARG  18          2HD       ARG  18  -2.172 -20.771 -18.994
  138    HE   ARG  18           HE       ARG  18  -3.199 -23.014 -19.173
  139   HH11  ARG  18          1HH1      ARG  18  -4.144 -20.543 -21.464
  140   HH12  ARG  18          2HH1      ARG  18  -4.474 -21.666 -22.743
  141   HH21  ARG  18          1HH2      ARG  18  -3.639 -24.506 -20.861
  142   HH22  ARG  18          2HH2      ARG  18  -4.182 -23.922 -22.402
  143    H    LYS  19           HN       LYS  19  -6.251 -20.472 -15.098
  144    HA   LYS  19           HA       LYS  19  -6.284 -22.165 -13.611
  145    HB2  LYS  19          3HB       LYS  19  -3.326 -22.290 -14.194
  146    HB3  LYS  19          2HB       LYS  19  -4.192 -23.474 -13.225
  147    HG2  LYS  19          3HG       LYS  19  -4.793 -22.833 -16.106
  148    HG3  LYS  19          2HG       LYS  19  -3.831 -24.202 -15.549
  149    HD2  LYS  19          3HD       LYS  19  -5.737 -25.114 -14.372
  150    HD3  LYS  19          2HD       LYS  19  -6.707 -23.699 -14.790
  151    HE2  LYS  19          3HE       LYS  19  -6.558 -24.255 -17.140
  152    HE3  LYS  19          2HE       LYS  19  -5.506 -25.620 -16.777
  153    HZ1  LYS  19          1HZ       LYS  19  -8.306 -25.345 -15.836
  154    HZ2  LYS  19          2HZ       LYS  19  -7.298 -26.681 -15.602
  155    HZ3  LYS  19          3HZ       LYS  19  -7.819 -26.277 -17.158
  156    H    SER  20           HN       SER  20  -5.544 -19.298 -12.865
  157    HA   SER  20           HA       SER  20  -5.011 -19.998 -10.063
  158    HB2  SER  20          3HB       SER  20  -3.747 -17.829  -9.848
  159    HB3  SER  20          2HB       SER  20  -2.946 -19.052 -10.833
  160    HG   SER  20           HG       SER  20  -3.266 -16.678 -11.573
  161    H    HIS  21           HN       HIS  21  -6.627 -17.896 -12.408
  162    HA   HIS  21           HA       HIS  21  -7.817 -16.177 -10.502
  163    HB2  HIS  21          3HB       HIS  21  -9.174 -15.317 -12.237
  164    HB3  HIS  21          2HB       HIS  21  -7.638 -15.718 -12.984
  165    HD1  HIS  21          1HD       HIS  21 -11.264 -16.564 -13.031
  166    HD2  HIS  21          2HD       HIS  21  -7.735 -17.867 -14.826
  167    HE1  HIS  21          1HE       HIS  21 -11.970 -17.986 -14.982
  168    HE2  HIS  21          2HE       HIS  21  -9.827 -18.669 -16.118
  169    H    THR  22           HN       THR  22  -8.446 -19.424 -11.277
  170    HA   THR  22           HA       THR  22 -11.177 -19.658 -10.631
  171    HB   THR  22           HB       THR  22 -10.106 -21.916  -9.488
  172    HG1  THR  22          1HG       THR  22  -8.121 -22.177 -10.173
  173   HG21  THR  22          1HG2      THR  22 -10.557 -22.976 -11.653
  174   HG22  THR  22          2HG2      THR  22 -10.614 -21.389 -12.419
  175   HG23  THR  22          3HG2      THR  22 -11.830 -21.833 -11.222
  176    H    SER  23           HN       SER  23  -8.488 -20.139  -8.203
  177    HA   SER  23           HA       SER  23 -10.376 -19.810  -6.079
  178    HB2  SER  23          3HB       SER  23  -8.271 -19.915  -4.655
  179    HB3  SER  23          2HB       SER  23  -8.592 -21.326  -5.664
  180    HG   SER  23           HG       SER  23  -6.446 -19.743  -5.647
  181    H    LEU  24           HN       LEU  24  -8.048 -17.827  -7.745
  182    HA   LEU  24           HA       LEU  24  -8.439 -15.602  -5.902
  183    HB2  LEU  24          3HB       LEU  24  -6.690 -15.993  -8.320
  184    HB3  LEU  24          2HB       LEU  24  -6.911 -14.415  -7.600
  185    HG   LEU  24           HG       LEU  24  -4.849 -15.301  -6.803
  186   HD11  LEU  24          1HD1      LEU  24  -6.210 -14.092  -5.168
  187   HD12  LEU  24          2HD1      LEU  24  -5.174 -15.301  -4.414
  188   HD13  LEU  24          3HD1      LEU  24  -6.894 -15.623  -4.617
  189   HD21  LEU  24          1HD2      LEU  24  -6.375 -17.746  -5.925
  190   HD22  LEU  24          2HD2      LEU  24  -4.672 -17.419  -5.606
  191   HD23  LEU  24          3HD2      LEU  24  -5.228 -17.657  -7.261
  192    H    GLU  25           HN       GLU  25 -10.764 -16.461  -7.230
  193    HA   GLU  25           HA       GLU  25 -11.236 -14.587  -9.398
  194    HB2  GLU  25          3HB       GLU  25 -12.162 -16.974  -9.296
  195    HB3  GLU  25          2HB       GLU  25 -13.284 -16.366  -8.090
  196    HG2  GLU  25          3HG       GLU  25 -14.372 -16.379 -10.214
  197    HG3  GLU  25          2HG       GLU  25 -14.090 -14.706  -9.734
  198    H    ASP  26           HN       ASP  26 -10.869 -12.697  -8.133
  199    HA   ASP  26           HA       ASP  26 -13.273 -11.724  -6.856
  200    HB2  ASP  26          3HB       ASP  26 -11.872 -12.880  -5.058
  201    HB3  ASP  26          2HB       ASP  26 -10.687 -11.604  -5.299
  202    H    ASP  27           HN       ASP  27 -13.036  -9.413  -6.298
  203    HA   ASP  27           HA       ASP  27 -11.808  -8.038  -8.497
  204    HB2  ASP  27          3HB       ASP  27 -14.044  -7.418  -7.612
  205    HB3  ASP  27          2HB       ASP  27 -13.287  -6.929  -6.102
  206    H    ASP  28           HN       ASP  28 -10.724  -9.101  -5.613
  207    HA   ASP  28           HA       ASP  28  -9.129  -7.009  -4.632
  208    HB2  ASP  28          3HB       ASP  28  -9.727  -9.276  -3.540
  209    HB3  ASP  28          2HB       ASP  28  -8.347  -9.898  -4.435
  210    H    ASP  29           HN       ASP  29  -8.434  -9.628  -6.828
  211    HA   ASP  29           HA       ASP  29  -5.757  -8.739  -7.377
  212    HB2  ASP  29          3HB       ASP  29  -7.511 -10.908  -8.502
  213    HB3  ASP  29          2HB       ASP  29  -5.998 -10.480  -9.294
  214    H    GLY  30           HN       GLY  30  -8.830  -7.854  -8.430
  215    HA2  GLY  30          2HA       GLY  30  -8.233  -7.057 -11.096
  216    HA3  GLY  30          1HA       GLY  30  -9.585  -6.496 -10.123
  217    H    SER  31           HN       SER  31  -7.984  -5.498  -7.958
  218    HA   SER  31           HA       SER  31  -7.247  -2.953  -9.078
  219    HB2  SER  31          3HB       SER  31  -6.592  -2.676  -6.497
  220    HB3  SER  31          2HB       SER  31  -8.260  -2.576  -7.064
  221    HG   SER  31           HG       SER  31  -6.952  -4.842  -5.943
  222    H    ARG  32           HN       ARG  32  -5.641  -5.670  -9.228
  223    HA   ARG  32           HA       ARG  32  -3.030  -4.410  -8.722
  224    HB2  ARG  32          3HB       ARG  32  -3.742  -7.348  -8.841
  225    HB3  ARG  32          2HB       ARG  32  -2.109  -6.720  -8.667
  226    HG2  ARG  32          3HG       ARG  32  -2.748  -5.670  -6.549
  227    HG3  ARG  32          2HG       ARG  32  -4.373  -6.334  -6.723
  228    HD2  ARG  32          3HD       ARG  32  -3.025  -7.694  -5.216
  229    HD3  ARG  32          2HD       ARG  32  -3.462  -8.595  -6.664
  230    HE   ARG  32           HE       ARG  32  -1.232  -8.558  -7.349
  231   HH11  ARG  32          1HH1      ARG  32  -1.642  -6.635  -4.453
  232   HH12  ARG  32          2HH1      ARG  32   0.031  -6.751  -3.992
  233   HH21  ARG  32          1HH2      ARG  32   0.979  -8.688  -6.747
  234   HH22  ARG  32          2HH2      ARG  32   1.516  -7.908  -5.295
  235    H    GLY  33           HN       GLY  33  -2.132  -3.682 -10.561
  236    HA2  GLY  33          2HA       GLY  33  -1.240  -3.832 -12.697
  237    HA3  GLY  33          1HA       GLY  33  -2.056  -5.373 -12.904
  238    H    GLY  34           HN       GLY  34  -4.598  -5.028 -12.806
  239    HA2  GLY  34          2HA       GLY  34  -5.221  -3.615 -15.187
  240    HA3  GLY  34          1HA       GLY  34  -6.378  -4.380 -14.110
  241    H    ASP  35           HN       ASP  35  -6.262  -3.039 -11.833
  242    HA   ASP  35           HA       ASP  35  -6.595  -0.202 -12.550
  243    HB2  ASP  35          3HB       ASP  35  -8.485  -1.901 -10.909
  244    HB3  ASP  35          2HB       ASP  35  -8.496  -0.145 -10.859
  245    H    CYS  36           HN       CYS  36  -4.263  -1.102 -11.532
  246    HA   CYS  36           HA       CYS  36  -4.224  -0.946  -8.671
  247    HB2  CYS  36          3HB       CYS  36  -1.713  -0.861  -9.033
  248    HB3  CYS  36          2HB       CYS  36  -2.540  -2.303  -9.611
  249    HG   CYS  36           HG       CYS  36  -1.861   0.285 -11.716
  250    H    GLU  37           HN       GLU  37  -5.002   0.948  -7.977
  251    HA   GLU  37           HA       GLU  37  -3.362   3.294  -8.628
  252    HB2  GLU  37          3HB       GLU  37  -5.753   3.458  -9.391
  253    HB3  GLU  37          2HB       GLU  37  -6.235   3.355  -7.703
  254    HG2  GLU  37          3HG       GLU  37  -5.004   5.389  -7.210
  255    HG3  GLU  37          2HG       GLU  37  -4.477   5.489  -8.889
  256    H    GLY  38           HN       GLY  38  -2.042   2.213  -6.954
  257    HA2  GLY  38          2HA       GLY  38  -2.914   2.243  -4.238
  258    HA3  GLY  38          1HA       GLY  38  -1.235   2.154  -4.775
  259    H    CYS  39           HN       CYS  39  -2.993   3.846  -2.820
  260    HA   CYS  39           HA       CYS  39  -2.878   6.501  -3.323
  261    HB2  CYS  39          3HB       CYS  39  -2.028   6.426  -0.730
  262    HB3  CYS  39          2HB       CYS  39  -3.698   6.204  -1.245
  263    H    SER  40           HN       SER  40  -0.127   4.431  -2.517
  264    HA   SER  40           HA       SER  40   2.008   4.518  -3.125
  265    HB2  SER  40          3HB       SER  40   0.919   5.386  -5.197
  266    HB3  SER  40          2HB       SER  40   1.383   7.010  -4.682
  267    HG   SER  40           HG       SER  40   3.301   6.618  -5.425
  268    H    GLY  41           HN       GLY  41   1.098   7.945  -2.676
  269    HA2  GLY  41          2HA       GLY  41   3.563   8.482  -1.232
  270    HA3  GLY  41          1HA       GLY  41   2.210   9.602  -1.341
  271    H    THR  42           HN       THR  42   1.378   6.461  -0.294
  272    HA   THR  42           HA       THR  42   1.163   7.426   2.475
  273    HB   THR  42           HB       THR  42  -0.215   5.067   1.171
  274    HG1  THR  42          1HG       THR  42  -0.964   7.769   1.592
  275   HG21  THR  42          1HG2      THR  42  -1.642   5.087   3.165
  276   HG22  THR  42          2HG2      THR  42  -0.683   6.403   3.842
  277   HG23  THR  42          3HG2      THR  42   0.046   4.816   3.597
  278    H    ALA  43           HN       ALA  43   2.840   6.833   3.687
  279    HA   ALA  43           HA       ALA  43   4.349   4.425   3.077
  280    HB1  ALA  43          1HB       ALA  43   5.506   6.505   3.732
  281    HB2  ALA  43          2HB       ALA  43   5.866   5.165   4.820
  282    HB3  ALA  43          3HB       ALA  43   4.731   6.422   5.315
  283    H    CYS  44           HN       CYS  44   4.111   2.593   3.920
  284    HA   CYS  44           HA       CYS  44   2.903   2.224   6.559
  285    HB2  CYS  44          3HB       CYS  44   1.658   0.274   5.588
  286    HB3  CYS  44          2HB       CYS  44   1.056   1.870   5.148
  287    H    SER  45           HN       SER  45   4.151   0.994   7.752
  288    HA   SER  45           HA       SER  45   6.346  -0.425   6.519
  289    HB2  SER  45          3HB       SER  45   5.653  -0.558   9.462
  290    HB3  SER  45          2HB       SER  45   7.228  -0.688   8.684
  291    HG   SER  45           HG       SER  45   6.328   1.652   7.978
  292    H    SER  46           HN       SER  46   3.203  -1.058   7.783
  293    HA   SER  46           HA       SER  46   3.623  -3.910   7.230
  294    HB2  SER  46          3HB       SER  46   1.400  -2.671   8.867
  295    HB3  SER  46          2HB       SER  46   1.757  -4.389   8.699
  296    HG   SER  46           HG       SER  46   2.925  -2.489  10.305
  297    H    ASP  47           HN       ASP  47   2.416  -4.833   5.667
  298    HA   ASP  47           HA       ASP  47   1.087  -3.278   3.785
  299    HB2  ASP  47          3HB       ASP  47   0.592  -5.314   2.624
  300    HB3  ASP  47          2HB       ASP  47   2.208  -5.442   3.305
  301    H    ALA  48           HN       ALA  48  -0.181  -4.648   6.720
  302    HA   ALA  48           HA       ALA  48  -2.793  -4.999   5.973
  303    HB1  ALA  48          1HB       ALA  48  -1.893  -5.749   8.115
  304    HB2  ALA  48          2HB       ALA  48  -3.341  -4.766   8.339
  305    HB3  ALA  48          3HB       ALA  48  -1.748  -4.070   8.639
  306    H    GLN  49           HN       GLN  49  -0.972  -2.128   6.303
  307    HA   GLN  49           HA       GLN  49  -3.083  -0.311   6.876
  308    HB2  GLN  49          3HB       GLN  49  -0.452   0.249   5.501
  309    HB3  GLN  49          2HB       GLN  49  -1.514   1.432   6.243
  310    HG2  GLN  49          3HG       GLN  49  -0.205  -0.776   7.798
  311    HG3  GLN  49          2HG       GLN  49   0.541   0.786   7.497
  312   HE21  GLN  49          1HE2      GLN  49   0.570   1.092   9.854
  313   HE22  GLN  49          2HE2      GLN  49  -0.874   1.601  10.643
  314    H    CYS  50           HN       CYS  50  -1.443  -1.466   3.950
  315    HA   CYS  50           HA       CYS  50  -3.059   0.160   2.191
  316    HB2  CYS  50          3HB       CYS  50  -1.361  -2.255   1.629
  317    HB3  CYS  50          2HB       CYS  50  -2.230  -1.371   0.393
  318    H    ARG  51           HN       ARG  51  -2.994  -3.159   3.271
  319    HA   ARG  51           HA       ARG  51  -5.083  -4.134   1.709
  320    HB2  ARG  51          3HB       ARG  51  -4.354  -4.898   4.543
  321    HB3  ARG  51          2HB       ARG  51  -5.404  -5.824   3.500
  322    HG2  ARG  51          3HG       ARG  51  -2.455  -5.373   3.225
  323    HG3  ARG  51          2HG       ARG  51  -3.320  -6.894   3.426
  324    HD2  ARG  51          3HD       ARG  51  -3.575  -5.104   1.020
  325    HD3  ARG  51          2HD       ARG  51  -2.485  -6.481   1.118
  326    HE   ARG  51           HE       ARG  51  -5.039  -7.395   1.747
  327   HH11  ARG  51          1HH1      ARG  51  -3.375  -5.998  -1.004
  328   HH12  ARG  51          2HH1      ARG  51  -4.349  -6.833  -2.174
  329   HH21  ARG  51          1HH2      ARG  51  -6.308  -8.495   0.215
  330   HH22  ARG  51          2HH2      ARG  51  -6.032  -8.250  -1.489
  331    H    ALA  52           HN       ALA  52  -5.194  -2.540   4.861
  332    HA   ALA  52           HA       ALA  52  -8.070  -2.498   4.915
  333    HB1  ALA  52          1HB       ALA  52  -6.083  -0.966   6.589
  334    HB2  ALA  52          2HB       ALA  52  -6.773  -2.540   6.986
  335    HB3  ALA  52          3HB       ALA  52  -7.810  -1.116   6.906
  336    H    ARG  53           HN       ARG  53  -5.597  -0.561   3.515
  337    HA   ARG  53           HA       ARG  53  -7.080   1.870   3.435
  338    HB2  ARG  53          3HB       ARG  53  -4.621   1.839   3.325
  339    HB3  ARG  53          2HB       ARG  53  -4.729   1.092   1.740
  340    HG2  ARG  53          3HG       ARG  53  -4.274   3.494   1.618
  341    HG3  ARG  53          2HG       ARG  53  -5.793   3.057   0.836
  342    HD2  ARG  53          3HD       ARG  53  -7.017   3.786   2.830
  343    HD3  ARG  53          2HD       ARG  53  -5.495   4.236   3.597
  344    HE   ARG  53           HE       ARG  53  -5.286   5.784   1.555
  345   HH11  ARG  53          1HH1      ARG  53  -8.298   4.969   3.148
  346   HH12  ARG  53          2HH1      ARG  53  -9.081   6.449   2.696
  347   HH21  ARG  53          1HH2      ARG  53  -6.318   7.745   0.976
  348   HH22  ARG  53          2HH2      ARG  53  -7.955   8.028   1.480
  349    H    GLY  54           HN       GLY  54  -7.291  -0.990   1.676
  350    HA2  GLY  54          2HA       GLY  54  -8.497  -1.533  -0.234
  351    HA3  GLY  54          1HA       GLY  54  -9.120   0.116  -0.236
  352    H    CYS  55           HN       CYS  55  -5.840   0.199   0.046
  353    HA   CYS  55           HA       CYS  55  -5.523   1.058  -2.702
  354    HB2  CYS  55          3HB       CYS  55  -3.696   1.154  -0.336
  355    HB3  CYS  55          2HB       CYS  55  -3.017   1.299  -1.956
  356    H    ASP  56           HN       ASP  56  -3.104  -1.103  -1.176
  357    HA   ASP  56           HA       ASP  56  -4.120  -3.431  -2.361
  358    HB2  ASP  56          3HB       ASP  56  -3.480  -2.686  -4.529
  359    HB3  ASP  56          2HB       ASP  56  -1.944  -2.047  -3.946
  360    H    GLY  57           HN       GLY  57  -0.828  -2.014  -2.028
  361    HA2  GLY  57          2HA       GLY  57  -0.315  -3.905   0.118
  362    HA3  GLY  57          1HA       GLY  57   0.495  -4.275  -1.389
  363    H    CYS  58           HN       CYS  58   1.429  -3.506   1.302
  364    HA   CYS  58           HA       CYS  58   2.979  -1.121   0.752
  365    HB2  CYS  58          3HB       CYS  58   2.935  -3.050   3.088
  366    HB3  CYS  58          2HB       CYS  58   3.828  -1.522   3.048
  367    H    SER  59           HN       SER  59   5.149  -1.178   0.102
  368    HA   SER  59           HA       SER  59   5.976  -3.887  -0.705
  369    HB2  SER  59          3HB       SER  59   7.305  -2.663  -2.474
  370    HB3  SER  59          2HB       SER  59   5.553  -2.528  -2.630
  371    HG   SER  59           HG       SER  59   5.645  -0.456  -2.124
  372    H    THR  60           HN       THR  60   8.500  -3.925  -1.126
  373    HA   THR  60           HA       THR  60  10.036  -3.718   1.104
  374    HB   THR  60           HB       THR  60  11.445  -2.616  -1.261
  375    HG1  THR  60          1HG       THR  60  10.874  -5.283  -1.620
  376   HG21  THR  60          1HG2      THR  60  12.955  -4.487  -0.752
  377   HG22  THR  60          2HG2      THR  60  11.827  -5.064   0.474
  378   HG23  THR  60          3HG2      THR  60  12.631  -3.508   0.678
  379    H    SER  61           HN       SER  61   8.943  -0.873  -0.730
  380    HA   SER  61           HA       SER  61  10.847   0.781   0.640
  381    HB2  SER  61          3HB       SER  61  10.536   1.153  -1.763
  382    HB3  SER  61          2HB       SER  61   8.837   1.521  -1.479
  383    HG   SER  61           HG       SER  61   9.766   3.210   0.008
  384    H    GLY  62           HN       GLY  62   8.097  -0.469   1.612
  385    HA2  GLY  62          2HA       GLY  62   6.597   0.098   3.256
  386    HA3  GLY  62          1HA       GLY  62   7.712   1.386   3.692
  387    H    VAL  63           HN       VAL  63   6.337   1.165   0.530
  388    HA   VAL  63           HA       VAL  63   4.636   3.507   1.095
  389    HB   VAL  63           HB       VAL  63   4.864   4.125  -1.268
  390   HG11  VAL  63          1HG1      VAL  63   7.218   4.830  -1.218
  391   HG12  VAL  63          2HG1      VAL  63   7.498   3.740   0.138
  392   HG13  VAL  63          3HG1      VAL  63   6.397   5.105   0.318
  393   HG21  VAL  63          1HG2      VAL  63   6.873   1.889  -1.492
  394   HG22  VAL  63          2HG2      VAL  63   6.416   3.031  -2.754
  395   HG23  VAL  63          3HG2      VAL  63   5.246   1.851  -2.166
  396    H    CYS  64           HN       CYS  64   2.653   3.587  -0.353
  397    HA   CYS  64           HA       CYS  64   1.519   0.875  -0.189
  398    HB2  CYS  64          3HB       CYS  64   0.576   2.823   1.218
  399    HB3  CYS  64          2HB       CYS  64  -0.060   3.447  -0.303
  400    H    VAL  65           HN       VAL  65   1.455  -0.081  -2.127
  401    HA   VAL  65           HA       VAL  65   0.649   1.468  -4.483
  402    HB   VAL  65           HB       VAL  65   2.636   0.845  -5.753
  403   HG11  VAL  65          1HG1      VAL  65   3.336   2.062  -3.110
  404   HG12  VAL  65          2HG1      VAL  65   2.774   2.912  -4.548
  405   HG13  VAL  65          3HG1      VAL  65   4.349   2.115  -4.551
  406   HG21  VAL  65          1HG2      VAL  65   4.538  -0.288  -4.725
  407   HG22  VAL  65          2HG2      VAL  65   3.098  -1.309  -4.673
  408   HG23  VAL  65          3HG2      VAL  65   3.634  -0.461  -3.221
  409    H    LEU  66           HN       LEU  66   0.861  -0.244  -6.481
  410    HA   LEU  66           HA       LEU  66  -0.242  -2.754  -5.756
  411    HB2  LEU  66          3HB       LEU  66   0.270  -3.486  -8.019
  412    HB3  LEU  66          2HB       LEU  66  -0.470  -1.905  -8.036
  413    HG   LEU  66           HG       LEU  66   2.513  -2.276  -8.293
  414   HD11  LEU  66          1HD1      LEU  66   1.429  -3.546 -10.072
  415   HD12  LEU  66          2HD1      LEU  66   2.214  -2.101 -10.712
  416   HD13  LEU  66          3HD1      LEU  66   0.463  -2.135 -10.501
  417   HD21  LEU  66          1HD2      LEU  66   2.315  -0.077  -9.453
  418   HD22  LEU  66          2HD2      LEU  66   1.890  -0.030  -7.744
  419   HD23  LEU  66          3HD2      LEU  66   0.620  -0.028  -8.968
  420    H    SER  67           HN       SER  67   0.970  -3.494  -4.076
  421    HA   SER  67           HA       SER  67   3.636  -3.403  -3.532
  422    HB2  SER  67          3HB       SER  67   3.181  -5.745  -2.425
  423    HB3  SER  67          2HB       SER  67   2.390  -4.292  -1.820
  424    HG   SER  67           HG       SER  67   0.647  -4.953  -3.425
  425    H    SER  68           HN       SER  68   5.201  -3.837  -5.226
  426    HA   SER  68           HA       SER  68   5.281  -6.611  -6.127
  427    HB2  SER  68          3HB       SER  68   7.133  -5.735  -7.616
  428    HB3  SER  68          2HB       SER  68   5.544  -5.034  -7.929
  429    HG   SER  68           HG       SER  68   7.394  -3.801  -6.177
  430    H    LEU  69           HN       LEU  69   6.259  -7.870  -4.661
  431    HA   LEU  69           HA       LEU  69   8.339  -6.795  -2.951
  432    HB2  LEU  69          3HB       LEU  69   6.833  -9.378  -3.053
  433    HB3  LEU  69          2HB       LEU  69   8.339  -9.294  -2.163
  434    HG   LEU  69           HG       LEU  69   7.365  -7.422  -0.815
  435   HD11  LEU  69          1HD1      LEU  69   4.792  -8.228  -2.160
  436   HD12  LEU  69          2HD1      LEU  69   5.648  -6.707  -2.413
  437   HD13  LEU  69          3HD1      LEU  69   4.964  -7.082  -0.831
  438   HD21  LEU  69          1HD2      LEU  69   5.987  -8.873   0.569
  439   HD22  LEU  69          2HD2      LEU  69   7.425  -9.720   0.004
  440   HD23  LEU  69          3HD2      LEU  69   5.864 -10.034  -0.753
  441    H    HIS  70           HN       HIS  70   8.424  -7.598  -5.992
  442    HA   HIS  70           HA       HIS  70  10.581  -9.362  -6.288
  443    HB2  HIS  70          3HB       HIS  70   9.206  -8.595  -8.181
  444    HB3  HIS  70          2HB       HIS  70   9.831  -6.963  -7.982
  445    HD1  HIS  70          1HD       HIS  70  11.575  -6.435  -9.644
  446    HD2  HIS  70          2HD       HIS  70  11.581 -10.465  -8.631
  447    HE1  HIS  70          1HE       HIS  70  13.416  -7.474 -11.004
  448    HE2  HIS  70          2HE       HIS  70  13.266  -9.940 -10.516
  449    H    HIS  71           HN       HIS  71  12.687  -9.158  -5.876
  450    HA   HIS  71           HA       HIS  71  13.579  -6.914  -4.359
  451    HB2  HIS  71          3HB       HIS  71  14.986  -9.382  -5.368
  452    HB3  HIS  71          2HB       HIS  71  15.807  -8.139  -4.436
  453    HD1  HIS  71          1HD       HIS  71  16.173  -9.134  -2.205
  454    HD2  HIS  71          2HD       HIS  71  12.333  -9.887  -3.616
  455    HE1  HIS  71          1HE       HIS  71  14.991 -10.342  -0.342
  456    HE2  HIS  71          2HE       HIS  71  12.696 -10.859  -1.246
  457    H    HIS  72           HN       HIS  72  13.159  -5.311  -6.092
  458    HA   HIS  72           HA       HIS  72  15.432  -5.103  -7.942
  459    HB2  HIS  72          3HB       HIS  72  13.097  -4.776  -8.825
  460    HB3  HIS  72          2HB       HIS  72  12.973  -3.343  -7.814
  461    HD1  HIS  72          1HD       HIS  72  14.248  -4.531 -11.058
  462    HD2  HIS  72          2HD       HIS  72  14.723  -1.196  -8.620
  463    HE1  HIS  72          1HE       HIS  72  15.293  -2.773 -12.511
  464    HE2  HIS  72          2HE       HIS  72  15.475  -0.735 -11.050
  465    H    HIS  73           HN       HIS  73  13.776  -3.485  -5.288
  466    HA   HIS  73           HA       HIS  73  15.791  -1.445  -5.017
  467    HB2  HIS  73          3HB       HIS  73  13.475  -2.328  -3.296
  468    HB3  HIS  73          2HB       HIS  73  14.641  -1.142  -2.730
  469    HD1  HIS  73          1HD       HIS  73  11.440  -1.272  -4.190
  470    HD2  HIS  73          2HD       HIS  73  14.811   1.074  -4.831
  471    HE1  HIS  73          1HE       HIS  73  10.608   0.813  -5.325
  472    HE2  HIS  73          2HE       HIS  73  12.637   2.295  -5.511
  473    H    HIS  74           HN       HIS  74  17.769  -2.393  -4.738
  474    HA   HIS  74           HA       HIS  74  18.076  -4.417  -2.660
  475    HB2  HIS  74          3HB       HIS  74  20.069  -3.259  -4.622
  476    HB3  HIS  74          2HB       HIS  74  20.462  -4.481  -3.420
  477    HD1  HIS  74          1HD       HIS  74  19.793  -6.889  -3.923
  478    HD2  HIS  74          2HD       HIS  74  18.472  -4.171  -6.776
  479    HE1  HIS  74          1HE       HIS  74  18.974  -8.275  -5.850
  480    HE2  HIS  74          2HE       HIS  74  18.400  -6.607  -7.642
  481    H    HIS  75           HN       HIS  75  20.051  -1.602  -3.524
  482    HA   HIS  75           HA       HIS  75  19.774  -0.505  -0.856
  483    HB2  HIS  75          3HB       HIS  75  22.427  -1.468  -1.943
  484    HB3  HIS  75          2HB       HIS  75  22.295  -0.311  -0.623
  485    HD1  HIS  75          1HD       HIS  75  22.601  -3.834  -1.236
  486    HD2  HIS  75          2HD       HIS  75  20.735  -1.489   1.638
  487    HE1  HIS  75          1HE       HIS  75  22.179  -5.363   0.710
  488    HE2  HIS  75          2HE       HIS  75  20.849  -3.973   2.337
  Start of MODEL    8
    1    H1   MET   1          1HT       MET   1 -17.455  -1.846 -24.661
    2    H2   MET   1          2HT       MET   1 -16.573  -2.960 -23.751
    3    H3   MET   1          3HT       MET   1 -17.584  -1.846 -22.978
    4    HA   MET   1           HA       MET   1 -19.514  -2.839 -24.047
    5    HB2  MET   1          3HB       MET   1 -18.332  -3.759 -25.997
    6    HB3  MET   1          2HB       MET   1 -17.507  -4.911 -24.958
    7    HG2  MET   1          3HG       MET   1 -19.640  -5.943 -24.394
    8    HG3  MET   1          2HG       MET   1 -20.479  -4.779 -25.416
    9    HE1  MET   1          1HE       MET   1 -20.791  -7.964 -25.654
   10    HE2  MET   1          2HE       MET   1 -20.790  -8.151 -27.408
   11    HE3  MET   1          3HE       MET   1 -21.669  -6.816 -26.665
   12    H    CYS   2           HN       CYS   2 -16.752  -4.438 -22.482
   13    HA   CYS   2           HA       CYS   2 -18.660  -5.634 -20.577
   14    HB2  CYS   2          3HB       CYS   2 -17.365  -7.248 -22.011
   15    HB3  CYS   2          2HB       CYS   2 -15.893  -6.651 -21.258
   16    HG   CYS   2           HG       CYS   2 -17.043  -7.371 -18.631
   17    H    GLU   3           HN       GLU   3 -17.755  -3.004 -20.293
   18    HA   GLU   3           HA       GLU   3 -16.252  -3.257 -17.801
   19    HB2  GLU   3          3HB       GLU   3 -14.628  -2.713 -19.601
   20    HB3  GLU   3          2HB       GLU   3 -15.543  -1.253 -19.948
   21    HG2  GLU   3          3HG       GLU   3 -15.060  -0.394 -17.737
   22    HG3  GLU   3          2HG       GLU   3 -14.194  -1.877 -17.335
   23    H    PHE   4           HN       PHE   4 -17.938  -2.731 -16.561
   24    HA   PHE   4           HA       PHE   4 -18.982   0.041 -16.823
   25    HB2  PHE   4          3HB       PHE   4 -20.575  -2.444 -16.113
   26    HB3  PHE   4          2HB       PHE   4 -21.166  -0.801 -15.923
   27    HD1  PHE   4          1HD       PHE   4 -21.747   0.543 -17.859
   28    HD2  PHE   4          2HD       PHE   4 -20.415  -3.475 -18.279
   29    HE1  PHE   4          1HE       PHE   4 -22.605   0.505 -20.163
   30    HE2  PHE   4          2HE       PHE   4 -21.267  -3.521 -20.584
   31    HZ   PHE   4           HZ       PHE   4 -22.366  -1.529 -21.529
   32    H    ILE   5           HN       ILE   5 -16.789  -0.630 -15.351
   33    HA   ILE   5           HA       ILE   5 -15.867  -0.436 -13.184
   34    HB   ILE   5           HB       ILE   5 -18.703   0.053 -12.230
   35   HG12  ILE   5          3HG1      ILE   5 -16.582   2.054 -13.047
   36   HG13  ILE   5          2HG1      ILE   5 -18.029   1.672 -13.974
   37   HG21  ILE   5          1HG2      ILE   5 -17.147  -0.540 -10.442
   38   HG22  ILE   5          2HG2      ILE   5 -17.626   1.152 -10.327
   39   HG23  ILE   5          3HG2      ILE   5 -16.042   0.728 -10.975
   40   HD11  ILE   5          1HD1      ILE   5 -17.963   2.917 -11.235
   41   HD12  ILE   5          2HD1      ILE   5 -19.416   2.528 -12.157
   42   HD13  ILE   5          3HD1      ILE   5 -18.292   3.749 -12.755
   43    H    GLU   6           HN       GLU   6 -18.312  -2.622 -14.020
   44    HA   GLU   6           HA       GLU   6 -18.779  -4.793 -13.473
   45    HB2  GLU   6          3HB       GLU   6 -16.123  -4.500 -12.083
   46    HB3  GLU   6          2HB       GLU   6 -17.062  -5.983 -11.988
   47    HG2  GLU   6          3HG       GLU   6 -15.361  -6.126 -13.717
   48    HG3  GLU   6          2HG       GLU   6 -16.978  -6.214 -14.407
   49    H    ASP   7           HN       ASP   7 -19.336  -2.344 -11.782
   50    HA   ASP   7           HA       ASP   7 -20.107  -3.653  -9.271
   51    HB2  ASP   7          3HB       ASP   7 -18.811  -1.543  -9.115
   52    HB3  ASP   7          2HB       ASP   7 -20.071  -0.717 -10.021
   53    H    SER   8           HN       SER   8 -21.246  -2.522 -12.247
   54    HA   SER   8           HA       SER   8 -23.931  -1.900 -11.408
   55    HB2  SER   8          3HB       SER   8 -22.859  -0.682 -13.266
   56    HB3  SER   8          2HB       SER   8 -22.744  -2.182 -14.183
   57    HG   SER   8           HG       SER   8 -25.195  -2.165 -13.714
   58    H    GLU   9           HN       GLU   9 -22.311  -4.737 -11.830
   59    HA   GLU   9           HA       GLU   9 -24.344  -6.198 -13.239
   60    HB2  GLU   9          3HB       GLU   9 -22.969  -8.188 -12.669
   61    HB3  GLU   9          2HB       GLU   9 -22.079  -6.927 -13.509
   62    HG2  GLU   9          3HG       GLU   9 -21.087  -6.200 -11.422
   63    HG3  GLU   9          2HG       GLU   9 -22.026  -7.404 -10.538
   64    H    ASP  10           HN       ASP  10 -23.629  -5.446  -9.935
   65    HA   ASP  10           HA       ASP  10 -24.838  -5.715  -8.026
   66    HB2  ASP  10          3HB       ASP  10 -26.869  -5.303  -9.213
   67    HB3  ASP  10          2HB       ASP  10 -26.851  -6.904  -9.934
   68    H    ILE  11           HN       ILE  11 -23.805  -8.261  -9.950
   69    HA   ILE  11           HA       ILE  11 -24.583 -10.494  -8.401
   70    HB   ILE  11           HB       ILE  11 -22.241 -10.278 -10.303
   71   HG12  ILE  11          3HG1      ILE  11 -25.116 -11.067 -10.830
   72   HG13  ILE  11          2HG1      ILE  11 -24.357  -9.567 -11.346
   73   HG21  ILE  11          1HG2      ILE  11 -22.538 -12.697 -10.582
   74   HG22  ILE  11          2HG2      ILE  11 -23.815 -12.678  -9.365
   75   HG23  ILE  11          3HG2      ILE  11 -22.158 -12.280  -8.910
   76   HD11  ILE  11          1HD1      ILE  11 -23.592 -12.333 -12.249
   77   HD12  ILE  11          2HD1      ILE  11 -22.834 -10.829 -12.773
   78   HD13  ILE  11          3HD1      ILE  11 -24.521 -11.153 -13.174
   79    H    GLN  12           HN       GLN  12 -22.291  -8.067  -7.787
   80    HA   GLN  12           HA       GLN  12 -20.452  -9.705  -6.295
   81    HB2  GLN  12          3HB       GLN  12 -20.821  -6.706  -6.299
   82    HB3  GLN  12          2HB       GLN  12 -19.544  -7.559  -5.442
   83    HG2  GLN  12          3HG       GLN  12 -18.829  -8.483  -7.676
   84    HG3  GLN  12          2HG       GLN  12 -19.945  -7.334  -8.413
   85   HE21  GLN  12          1HE2      GLN  12 -19.499  -5.129  -8.296
   86   HE22  GLN  12          2HE2      GLN  12 -17.936  -4.530  -7.859
   87    H    GLY  13           HN       GLY  13 -23.343  -7.855  -5.611
   88    HA2  GLY  13          2HA       GLY  13 -23.097  -8.036  -2.755
   89    HA3  GLY  13          1HA       GLY  13 -24.536  -7.564  -3.651
   90    H    LEU  14           HN       LEU  14 -24.448  -9.990  -5.268
   91    HA   LEU  14           HA       LEU  14 -25.216 -12.006  -3.268
   92    HB2  LEU  14          3HB       LEU  14 -26.392 -11.486  -6.006
   93    HB3  LEU  14          2HB       LEU  14 -26.743 -12.911  -5.055
   94    HG   LEU  14           HG       LEU  14 -27.630 -11.303  -3.267
   95   HD11  LEU  14          1HD1      LEU  14 -27.603  -9.418  -5.622
   96   HD12  LEU  14          2HD1      LEU  14 -26.661  -9.244  -4.142
   97   HD13  LEU  14          3HD1      LEU  14 -28.421  -9.139  -4.085
   98   HD21  LEU  14          1HD2      LEU  14 -29.803 -11.140  -4.383
   99   HD22  LEU  14          2HD2      LEU  14 -29.060 -12.719  -4.631
  100   HD23  LEU  14          3HD2      LEU  14 -29.036 -11.522  -5.925
  101    H    LYS  15           HN       LYS  15 -22.744 -12.286  -3.581
  102    HA   LYS  15           HA       LYS  15 -21.887 -13.251  -6.139
  103    HB2  LYS  15          3HB       LYS  15 -19.686 -13.508  -5.126
  104    HB3  LYS  15          2HB       LYS  15 -20.370 -11.929  -4.774
  105    HG2  LYS  15          3HG       LYS  15 -21.020 -12.763  -2.537
  106    HG3  LYS  15          2HG       LYS  15 -20.198 -14.279  -2.902
  107    HD2  LYS  15          3HD       LYS  15 -18.940 -11.537  -2.784
  108    HD3  LYS  15          2HD       LYS  15 -18.760 -12.820  -1.587
  109    HE2  LYS  15          3HE       LYS  15 -17.733 -14.241  -3.356
  110    HE3  LYS  15          2HE       LYS  15 -17.803 -12.858  -4.447
  111    HZ1  LYS  15          1HZ       LYS  15 -15.622 -13.130  -3.384
  112    HZ2  LYS  15          2HZ       LYS  15 -16.336 -12.903  -1.868
  113    HZ3  LYS  15          3HZ       LYS  15 -16.338 -11.643  -2.995
  114    H    SER  16           HN       SER  16 -23.706 -14.738  -3.945
  115    HA   SER  16           HA       SER  16 -22.574 -17.370  -4.102
  116    HB2  SER  16          3HB       SER  16 -25.064 -17.932  -3.438
  117    HB3  SER  16          2HB       SER  16 -23.990 -17.167  -2.267
  118    HG   SER  16           HG       SER  16 -25.565 -15.772  -2.167
  119    H    LEU  17           HN       LEU  17 -24.332 -15.294  -6.122
  120    HA   LEU  17           HA       LEU  17 -25.004 -17.467  -7.995
  121    HB2  LEU  17          3HB       LEU  17 -25.950 -14.619  -7.777
  122    HB3  LEU  17          2HB       LEU  17 -26.265 -15.604  -9.188
  123    HG   LEU  17           HG       LEU  17 -28.235 -15.609  -7.860
  124   HD11  LEU  17          1HD1      LEU  17 -26.794 -18.211  -7.397
  125   HD12  LEU  17          2HD1      LEU  17 -27.646 -17.749  -8.871
  126   HD13  LEU  17          3HD1      LEU  17 -28.540 -17.961  -7.365
  127   HD21  LEU  17          1HD2      LEU  17 -26.500 -16.431  -5.540
  128   HD22  LEU  17          2HD2      LEU  17 -28.262 -16.376  -5.524
  129   HD23  LEU  17          3HD2      LEU  17 -27.337 -14.891  -5.743
  130    H    ARG  18           HN       ARG  18 -22.395 -16.272  -7.399
  131    HA   ARG  18           HA       ARG  18 -21.378 -14.512  -9.208
  132    HB2  ARG  18          3HB       ARG  18 -19.202 -15.562  -8.885
  133    HB3  ARG  18          2HB       ARG  18 -20.075 -15.452  -7.367
  134    HG2  ARG  18          3HG       ARG  18 -20.684 -17.851  -7.597
  135    HG3  ARG  18          2HG       ARG  18 -19.693 -17.921  -9.052
  136    HD2  ARG  18          3HD       ARG  18 -18.411 -18.759  -7.211
  137    HD3  ARG  18          2HD       ARG  18 -17.749 -17.198  -7.691
  138    HE   ARG  18           HE       ARG  18 -19.684 -17.015  -5.576
  139   HH11  ARG  18          1HH1      ARG  18 -16.320 -17.623  -6.311
  140   HH12  ARG  18          2HH1      ARG  18 -15.758 -17.104  -4.755
  141   HH21  ARG  18          1HH2      ARG  18 -18.941 -16.367  -3.519
  142   HH22  ARG  18          2HH2      ARG  18 -17.234 -16.374  -3.180
  143    H    LYS  19           HN       LYS  19 -21.966 -14.492 -11.282
  144    HA   LYS  19           HA       LYS  19 -21.239 -16.833 -12.925
  145    HB2  LYS  19          3HB       LYS  19 -23.508 -14.874 -13.357
  146    HB3  LYS  19          2HB       LYS  19 -23.042 -16.138 -14.489
  147    HG2  LYS  19          3HG       LYS  19 -23.676 -17.849 -12.957
  148    HG3  LYS  19          2HG       LYS  19 -23.919 -16.676 -11.663
  149    HD2  LYS  19          3HD       LYS  19 -25.746 -15.656 -12.995
  150    HD3  LYS  19          2HD       LYS  19 -25.540 -16.937 -14.194
  151    HE2  LYS  19          3HE       LYS  19 -26.049 -18.613 -12.494
  152    HE3  LYS  19          2HE       LYS  19 -26.246 -17.341 -11.291
  153    HZ1  LYS  19          1HZ       LYS  19 -28.086 -16.459 -12.604
  154    HZ2  LYS  19          2HZ       LYS  19 -28.373 -18.052 -12.128
  155    HZ3  LYS  19          3HZ       LYS  19 -27.913 -17.720 -13.717
  156    H    SER  20           HN       SER  20 -20.285 -13.936 -12.046
  157    HA   SER  20           HA       SER  20 -19.233 -13.164 -14.689
  158    HB2  SER  20          3HB       SER  20 -19.296 -10.799 -13.680
  159    HB3  SER  20          2HB       SER  20 -20.855 -11.517 -14.100
  160    HG   SER  20           HG       SER  20 -20.440 -10.497 -11.861
  161    H    HIS  21           HN       HIS  21 -18.770 -12.402 -11.237
  162    HA   HIS  21           HA       HIS  21 -15.911 -12.234 -11.510
  163    HB2  HIS  21          3HB       HIS  21 -17.842 -11.890  -9.236
  164    HB3  HIS  21          2HB       HIS  21 -16.116 -12.018  -8.920
  165    HD1  HIS  21          1HD       HIS  21 -18.708  -9.685 -10.293
  166    HD2  HIS  21          2HD       HIS  21 -14.575  -9.825  -9.788
  167    HE1  HIS  21          1HE       HIS  21 -17.896  -7.339 -10.657
  168    HE2  HIS  21          2HE       HIS  21 -15.386  -7.482 -10.527
  169    H    THR  22           HN       THR  22 -17.741 -14.788 -11.660
  170    HA   THR  22           HA       THR  22 -17.239 -16.690  -9.756
  171    HB   THR  22           HB       THR  22 -16.789 -17.480 -12.632
  172    HG1  THR  22          1HG       THR  22 -19.416 -17.339 -11.848
  173   HG21  THR  22          1HG2      THR  22 -18.184 -19.378 -11.953
  174   HG22  THR  22          2HG2      THR  22 -18.338 -18.689 -10.339
  175   HG23  THR  22          3HG2      THR  22 -16.762 -19.222 -10.923
  176    H    SER  23           HN       SER  23 -14.728 -15.799 -12.231
  177    HA   SER  23           HA       SER  23 -12.931 -17.670 -10.876
  178    HB2  SER  23          3HB       SER  23 -12.524 -16.209 -13.494
  179    HB3  SER  23          2HB       SER  23 -11.548 -17.534 -12.861
  180    HG   SER  23           HG       SER  23 -12.995 -18.921 -13.514
  181    H    LEU  24           HN       LEU  24 -13.792 -14.841 -10.081
  182    HA   LEU  24           HA       LEU  24 -11.088 -13.714  -9.784
  183    HB2  LEU  24          3HB       LEU  24 -13.724 -12.299 -10.157
  184    HB3  LEU  24          2HB       LEU  24 -12.302 -11.487  -9.537
  185    HG   LEU  24           HG       LEU  24 -12.439 -10.932 -11.825
  186   HD11  LEU  24          1HD1      LEU  24 -10.427 -13.161 -11.616
  187   HD12  LEU  24          2HD1      LEU  24 -10.194 -11.509 -11.045
  188   HD13  LEU  24          3HD1      LEU  24 -10.405 -11.825 -12.767
  189   HD21  LEU  24          1HD2      LEU  24 -12.764 -13.866 -12.420
  190   HD22  LEU  24          2HD2      LEU  24 -12.596 -12.589 -13.624
  191   HD23  LEU  24          3HD2      LEU  24 -14.004 -12.621 -12.564
  192    H    GLU  25           HN       GLU  25 -12.166 -15.606  -8.006
  193    HA   GLU  25           HA       GLU  25 -13.006 -14.042  -5.688
  194    HB2  GLU  25          3HB       GLU  25 -14.188 -16.165  -6.169
  195    HB3  GLU  25          2HB       GLU  25 -12.678 -17.039  -5.949
  196    HG2  GLU  25          3HG       GLU  25 -13.954 -17.258  -3.953
  197    HG3  GLU  25          2HG       GLU  25 -12.596 -16.188  -3.613
  198    H    ASP  26           HN       ASP  26 -10.880 -12.976  -5.781
  199    HA   ASP  26           HA       ASP  26  -9.121 -14.357  -3.895
  200    HB2  ASP  26          3HB       ASP  26  -8.067 -14.512  -6.146
  201    HB3  ASP  26          2HB       ASP  26  -8.099 -12.758  -6.258
  202    H    ASP  27           HN       ASP  27  -7.719 -12.779  -2.752
  203    HA   ASP  27           HA       ASP  27  -9.492 -10.792  -1.723
  204    HB2  ASP  27          3HB       ASP  27  -6.676 -11.543  -0.951
  205    HB3  ASP  27          2HB       ASP  27  -7.662 -10.377  -0.076
  206    H    ASP  28           HN       ASP  28  -7.567 -10.670  -4.311
  207    HA   ASP  28           HA       ASP  28  -6.401  -8.074  -3.959
  208    HB2  ASP  28          3HB       ASP  28  -5.646  -8.247  -6.209
  209    HB3  ASP  28          2HB       ASP  28  -5.525  -9.866  -5.538
  210    H    ASP  29           HN       ASP  29  -9.296  -9.398  -5.297
  211    HA   ASP  29           HA       ASP  29 -11.055  -8.489  -6.453
  212    HB2  ASP  29          3HB       ASP  29 -10.739  -6.796  -3.992
  213    HB3  ASP  29          2HB       ASP  29 -12.070  -6.529  -5.113
  214    H    GLY  30           HN       GLY  30  -8.769  -7.723  -7.758
  215    HA2  GLY  30          2HA       GLY  30  -8.787  -4.917  -8.326
  216    HA3  GLY  30          1HA       GLY  30  -8.000  -6.168  -9.279
  217    H    SER  31           HN       SER  31 -10.638  -7.618  -9.340
  218    HA   SER  31           HA       SER  31 -11.669  -6.396 -11.729
  219    HB2  SER  31          3HB       SER  31 -13.288  -8.354 -11.601
  220    HB3  SER  31          2HB       SER  31 -11.579  -8.778 -11.711
  221    HG   SER  31           HG       SER  31 -11.621  -9.547  -9.734
  222    H    ARG  32           HN       ARG  32 -12.129  -5.852  -8.504
  223    HA   ARG  32           HA       ARG  32 -14.917  -5.018  -8.778
  224    HB2  ARG  32          3HB       ARG  32 -14.277  -6.187  -6.717
  225    HB3  ARG  32          2HB       ARG  32 -13.045  -4.975  -6.398
  226    HG2  ARG  32          3HG       ARG  32 -14.702  -3.292  -6.028
  227    HG3  ARG  32          2HG       ARG  32 -15.987  -4.378  -6.562
  228    HD2  ARG  32          3HD       ARG  32 -14.227  -4.844  -4.160
  229    HD3  ARG  32          2HD       ARG  32 -15.850  -4.157  -4.099
  230    HE   ARG  32           HE       ARG  32 -16.140  -6.523  -5.444
  231   HH11  ARG  32          1HH1      ARG  32 -14.930  -5.577  -2.301
  232   HH12  ARG  32          2HH1      ARG  32 -15.354  -7.078  -1.542
  233   HH21  ARG  32          1HH2      ARG  32 -16.702  -8.503  -4.447
  234   HH22  ARG  32          2HH2      ARG  32 -16.351  -8.750  -2.767
  235    H    GLY  33           HN       GLY  33 -14.985  -3.178  -9.972
  236    HA2  GLY  33          2HA       GLY  33 -14.755  -0.777  -9.977
  237    HA3  GLY  33          1HA       GLY  33 -13.192  -0.975  -9.189
  238    H    GLY  34           HN       GLY  34 -11.745  -2.597 -10.541
  239    HA2  GLY  34          2HA       GLY  34 -10.649  -3.107 -12.497
  240    HA3  GLY  34          1HA       GLY  34 -12.094  -2.618 -13.369
  241    H    ASP  35           HN       ASP  35 -10.101  -0.705 -11.171
  242    HA   ASP  35           HA       ASP  35  -9.222   0.936 -13.430
  243    HB2  ASP  35          3HB       ASP  35 -11.345   1.905 -12.527
  244    HB3  ASP  35          2HB       ASP  35 -10.560   2.078 -10.963
  245    H    CYS  36           HN       CYS  36  -7.496   2.519 -12.712
  246    HA   CYS  36           HA       CYS  36  -5.919   1.304 -10.544
  247    HB2  CYS  36          3HB       CYS  36  -4.930   2.906 -12.919
  248    HB3  CYS  36          2HB       CYS  36  -3.925   2.177 -11.671
  249    HG   CYS  36           HG       CYS  36  -4.932  -0.463 -12.377
  250    H    GLU  37           HN       GLU  37  -6.808   2.492  -8.896
  251    HA   GLU  37           HA       GLU  37  -5.683   5.122  -8.588
  252    HB2  GLU  37          3HB       GLU  37  -7.892   5.524  -9.731
  253    HB3  GLU  37          2HB       GLU  37  -8.679   4.801  -8.335
  254    HG2  GLU  37          3HG       GLU  37  -7.687   6.538  -6.905
  255    HG3  GLU  37          2HG       GLU  37  -6.974   7.281  -8.335
  256    H    GLY  38           HN       GLY  38  -4.662   3.435  -7.181
  257    HA2  GLY  38          2HA       GLY  38  -6.088   2.571  -4.846
  258    HA3  GLY  38          1HA       GLY  38  -4.345   2.517  -5.069
  259    H    CYS  39           HN       CYS  39  -3.201   3.794  -3.753
  260    HA   CYS  39           HA       CYS  39  -3.915   6.492  -3.244
  261    HB2  CYS  39          3HB       CYS  39  -3.921   5.934  -0.621
  262    HB3  CYS  39          2HB       CYS  39  -5.399   6.029  -1.567
  263    H    SER  40           HN       SER  40  -1.807   6.498  -4.177
  264    HA   SER  40           HA       SER  40   0.264   5.138  -2.639
  265    HB2  SER  40          3HB       SER  40   0.644   6.365  -5.354
  266    HB3  SER  40          2HB       SER  40   1.490   5.018  -4.599
  267    HG   SER  40           HG       SER  40   0.141   3.810  -5.634
  268    H    GLY  41           HN       GLY  41   2.354   6.220  -2.398
  269    HA2  GLY  41          2HA       GLY  41   3.542   8.371  -2.062
  270    HA3  GLY  41          1HA       GLY  41   1.964   9.147  -1.997
  271    H    THR  42           HN       THR  42   0.760   7.134  -0.273
  272    HA   THR  42           HA       THR  42   1.590   8.099   2.270
  273    HB   THR  42           HB       THR  42  -0.104   5.648   1.794
  274    HG1  THR  42          1HG       THR  42  -0.651   8.360   1.282
  275   HG21  THR  42          1HG2      THR  42   0.496   6.208   4.124
  276   HG22  THR  42          2HG2      THR  42  -1.235   6.366   3.827
  277   HG23  THR  42          3HG2      THR  42  -0.220   7.805   3.905
  278    H    ALA  43           HN       ALA  43   2.310   6.649   4.054
  279    HA   ALA  43           HA       ALA  43   4.108   4.529   3.062
  280    HB1  ALA  43          1HB       ALA  43   5.343   6.531   3.728
  281    HB2  ALA  43          2HB       ALA  43   5.690   5.172   4.796
  282    HB3  ALA  43          3HB       ALA  43   4.604   6.456   5.326
  283    H    CYS  44           HN       CYS  44   3.201   2.683   3.590
  284    HA   CYS  44           HA       CYS  44   2.473   2.262   6.412
  285    HB2  CYS  44          3HB       CYS  44   1.660   0.033   5.498
  286    HB3  CYS  44          2HB       CYS  44   0.734   1.465   5.063
  287    H    SER  45           HN       SER  45   3.843   1.282   7.700
  288    HA   SER  45           HA       SER  45   6.249   0.094   6.625
  289    HB2  SER  45          3HB       SER  45   5.448  -0.102   9.529
  290    HB3  SER  45          2HB       SER  45   7.056   0.046   8.825
  291    HG   SER  45           HG       SER  45   5.913   2.210   8.068
  292    H    SER  46           HN       SER  46   3.147  -0.842   7.809
  293    HA   SER  46           HA       SER  46   3.888  -3.632   7.332
  294    HB2  SER  46          3HB       SER  46   1.566  -2.561   8.946
  295    HB3  SER  46          2HB       SER  46   1.953  -4.265   8.711
  296    HG   SER  46           HG       SER  46   2.925  -3.827  10.584
  297    H    ASP  47           HN       ASP  47   2.748  -4.793   5.905
  298    HA   ASP  47           HA       ASP  47   1.569  -3.575   3.722
  299    HB2  ASP  47          3HB       ASP  47   2.675  -5.760   3.643
  300    HB3  ASP  47          2HB       ASP  47   1.371  -6.460   4.592
  301    H    ALA  48           HN       ALA  48  -0.042  -5.385   6.360
  302    HA   ALA  48           HA       ALA  48  -2.566  -5.432   5.370
  303    HB1  ALA  48          1HB       ALA  48  -3.328  -5.793   7.636
  304    HB2  ALA  48          2HB       ALA  48  -1.811  -5.146   8.265
  305    HB3  ALA  48          3HB       ALA  48  -1.816  -6.656   7.351
  306    H    GLN  49           HN       GLN  49  -0.906  -2.639   6.318
  307    HA   GLN  49           HA       GLN  49  -3.159  -1.191   7.334
  308    HB2  GLN  49          3HB       GLN  49  -0.512  -0.092   6.385
  309    HB3  GLN  49          2HB       GLN  49  -1.680   0.712   7.425
  310    HG2  GLN  49          3HG       GLN  49  -1.308  -1.031   9.128
  311    HG3  GLN  49          2HG       GLN  49  -0.069  -1.731   8.093
  312   HE21  GLN  49          1HE2      GLN  49  -0.656   1.700   8.518
  313   HE22  GLN  49          2HE2      GLN  49   0.830   2.048   9.335
  314    H    CYS  50           HN       CYS  50  -1.170  -0.897   4.360
  315    HA   CYS  50           HA       CYS  50  -3.269   0.851   3.318
  316    HB2  CYS  50          3HB       CYS  50  -0.466   0.386   2.366
  317    HB3  CYS  50          2HB       CYS  50  -1.650   1.285   1.442
  318    H    ARG  51           HN       ARG  51  -1.709  -2.227   2.672
  319    HA   ARG  51           HA       ARG  51  -3.044  -3.038   0.410
  320    HB2  ARG  51          3HB       ARG  51  -1.633  -4.685   1.123
  321    HB3  ARG  51          2HB       ARG  51  -1.960  -4.392   2.818
  322    HG2  ARG  51          3HG       ARG  51  -2.711  -6.553   2.332
  323    HG3  ARG  51          2HG       ARG  51  -4.131  -5.529   2.509
  324    HD2  ARG  51          3HD       ARG  51  -4.458  -5.458   0.138
  325    HD3  ARG  51          2HD       ARG  51  -2.900  -6.238  -0.148
  326    HE   ARG  51           HE       ARG  51  -4.801  -7.757   1.421
  327   HH11  ARG  51          1HH1      ARG  51  -3.518  -7.106  -1.761
  328   HH12  ARG  51          2HH1      ARG  51  -3.973  -8.650  -2.399
  329   HH21  ARG  51          1HH2      ARG  51  -5.389  -9.794   0.601
  330   HH22  ARG  51          2HH2      ARG  51  -5.038 -10.186  -1.052
  331    H    ALA  52           HN       ALA  52  -4.274  -3.017   3.780
  332    HA   ALA  52           HA       ALA  52  -6.878  -3.921   2.880
  333    HB1  ALA  52          1HB       ALA  52  -6.032  -2.892   5.585
  334    HB2  ALA  52          2HB       ALA  52  -6.092  -4.583   5.088
  335    HB3  ALA  52          3HB       ALA  52  -7.579  -3.644   5.205
  336    H    ARG  53           HN       ARG  53  -5.243  -0.957   3.179
  337    HA   ARG  53           HA       ARG  53  -7.622   0.642   3.393
  338    HB2  ARG  53          3HB       ARG  53  -5.263   1.227   4.307
  339    HB3  ARG  53          2HB       ARG  53  -4.948   1.757   2.660
  340    HG2  ARG  53          3HG       ARG  53  -6.933   3.258   2.843
  341    HG3  ARG  53          2HG       ARG  53  -7.036   2.821   4.548
  342    HD2  ARG  53          3HD       ARG  53  -5.856   4.887   4.393
  343    HD3  ARG  53          2HD       ARG  53  -4.690   3.635   4.817
  344    HE   ARG  53           HE       ARG  53  -4.580   3.783   2.091
  345   HH11  ARG  53          1HH1      ARG  53  -4.152   6.062   4.711
  346   HH12  ARG  53          2HH1      ARG  53  -3.067   7.078   3.822
  347   HH21  ARG  53          1HH2      ARG  53  -3.119   5.097   0.927
  348   HH22  ARG  53          2HH2      ARG  53  -2.456   6.521   1.672
  349    H    GLY  54           HN       GLY  54  -6.869  -1.178   1.033
  350    HA2  GLY  54          2HA       GLY  54  -7.788  -1.138  -1.095
  351    HA3  GLY  54          1HA       GLY  54  -8.131   0.571  -0.886
  352    H    CYS  55           HN       CYS  55  -5.201   0.948  -0.060
  353    HA   CYS  55           HA       CYS  55  -4.183   1.828  -2.454
  354    HB2  CYS  55          3HB       CYS  55  -2.590   0.832  -0.083
  355    HB3  CYS  55          2HB       CYS  55  -1.929   1.768  -1.414
  356    H    ASP  56           HN       ASP  56  -3.012  -1.318  -1.001
  357    HA   ASP  56           HA       ASP  56  -4.029  -3.184  -2.498
  358    HB2  ASP  56          3HB       ASP  56  -2.228  -1.704  -4.358
  359    HB3  ASP  56          2HB       ASP  56  -2.116  -3.459  -4.378
  360    H    GLY  57           HN       GLY  57  -0.727  -1.870  -1.899
  361    HA2  GLY  57          2HA       GLY  57  -0.324  -3.924   0.050
  362    HA3  GLY  57          1HA       GLY  57   0.632  -4.172  -1.402
  363    H    CYS  58           HN       CYS  58   1.982  -3.869   0.793
  364    HA   CYS  58           HA       CYS  58   3.061  -1.142   0.574
  365    HB2  CYS  58          3HB       CYS  58   3.282  -3.071   2.893
  366    HB3  CYS  58          2HB       CYS  58   3.908  -1.425   2.846
  367    H    SER  59           HN       SER  59   5.125  -0.934  -0.077
  368    HA   SER  59           HA       SER  59   6.433  -3.441  -0.847
  369    HB2  SER  59          3HB       SER  59   5.943  -1.771  -2.639
  370    HB3  SER  59          2HB       SER  59   7.031  -0.639  -1.836
  371    HG   SER  59           HG       SER  59   7.667  -3.130  -3.046
  372    H    THR  60           HN       THR  60   8.935  -3.329  -0.816
  373    HA   THR  60           HA       THR  60   9.824  -3.406   1.760
  374    HB   THR  60           HB       THR  60  12.155  -2.759   0.642
  375    HG1  THR  60          1HG       THR  60  11.335  -3.790  -1.682
  376   HG21  THR  60          1HG2      THR  60  10.613  -5.290   0.041
  377   HG22  THR  60          2HG2      THR  60  11.555  -4.970   1.495
  378   HG23  THR  60          3HG2      THR  60  12.363  -5.099  -0.065
  379    H    SER  61           HN       SER  61   9.680  -0.371  -0.114
  380    HA   SER  61           HA       SER  61  11.364   1.029   1.725
  381    HB2  SER  61          3HB       SER  61  11.202   1.638  -0.690
  382    HB3  SER  61          2HB       SER  61   9.550   2.184  -0.406
  383    HG   SER  61           HG       SER  61  11.948   3.238   0.687
  384    H    GLY  62           HN       GLY  62   8.312  -0.092   2.054
  385    HA2  GLY  62          2HA       GLY  62   6.807   0.266   3.767
  386    HA3  GLY  62          1HA       GLY  62   7.817   1.590   4.329
  387    H    VAL  63           HN       VAL  63   6.334   1.166   1.159
  388    HA   VAL  63           HA       VAL  63   4.814   3.632   1.644
  389    HB   VAL  63           HB       VAL  63   5.027   4.130  -0.794
  390   HG11  VAL  63          1HG1      VAL  63   7.631   3.888   0.702
  391   HG12  VAL  63          2HG1      VAL  63   6.459   5.194   0.874
  392   HG13  VAL  63          3HG1      VAL  63   7.305   4.965  -0.657
  393   HG21  VAL  63          1HG2      VAL  63   6.730   3.014  -2.110
  394   HG22  VAL  63          2HG2      VAL  63   5.526   1.847  -1.569
  395   HG23  VAL  63          3HG2      VAL  63   7.094   1.932  -0.769
  396    H    CYS  64           HN       CYS  64   2.831   3.845   0.272
  397    HA   CYS  64           HA       CYS  64   1.475   1.246   0.284
  398    HB2  CYS  64          3HB       CYS  64   0.191   3.983   0.191
  399    HB3  CYS  64          2HB       CYS  64  -0.553   2.451   0.595
  400    H    VAL  65           HN       VAL  65   0.957   0.339  -1.574
  401    HA   VAL  65           HA       VAL  65   0.833   1.807  -4.086
  402    HB   VAL  65           HB       VAL  65   2.817   0.782  -5.062
  403   HG11  VAL  65          1HG1      VAL  65   3.217   2.859  -3.892
  404   HG12  VAL  65          2HG1      VAL  65   4.606   1.780  -3.729
  405   HG13  VAL  65          3HG1      VAL  65   3.469   1.970  -2.390
  406   HG21  VAL  65          1HG2      VAL  65   3.521  -0.432  -2.412
  407   HG22  VAL  65          2HG2      VAL  65   4.181  -0.793  -4.004
  408   HG23  VAL  65          3HG2      VAL  65   2.541  -1.305  -3.589
  409    H    LEU  66           HN       LEU  66   0.939  -0.040  -5.952
  410    HA   LEU  66           HA       LEU  66  -0.386  -2.464  -5.167
  411    HB2  LEU  66          3HB       LEU  66  -0.607  -1.591  -7.447
  412    HB3  LEU  66          2HB       LEU  66   1.124  -1.715  -7.682
  413    HG   LEU  66           HG       LEU  66   0.930  -4.191  -7.450
  414   HD11  LEU  66          1HD1      LEU  66  -1.114  -4.309  -6.156
  415   HD12  LEU  66          2HD1      LEU  66  -1.294  -5.204  -7.664
  416   HD13  LEU  66          3HD1      LEU  66  -2.026  -3.608  -7.491
  417   HD21  LEU  66          1HD2      LEU  66  -0.724  -2.908  -9.620
  418   HD22  LEU  66          2HD2      LEU  66  -0.067  -4.544  -9.663
  419   HD23  LEU  66          3HD2      LEU  66   1.022  -3.156  -9.642
  420    H    SER  67           HN       SER  67   0.696  -4.067  -4.031
  421    HA   SER  67           HA       SER  67   3.331  -3.648  -3.190
  422    HB2  SER  67          3HB       SER  67   2.830  -6.310  -2.652
  423    HB3  SER  67          2HB       SER  67   2.355  -4.954  -1.637
  424    HG   SER  67           HG       SER  67   0.521  -6.131  -2.033
  425    H    SER  68           HN       SER  68   5.104  -5.392  -3.300
  426    HA   SER  68           HA       SER  68   5.477  -6.133  -6.105
  427    HB2  SER  68          3HB       SER  68   7.542  -6.116  -3.892
  428    HB3  SER  68          2HB       SER  68   7.830  -6.159  -5.630
  429    HG   SER  68           HG       SER  68   6.326  -4.026  -5.057
  430    H    LEU  69           HN       LEU  69   3.957  -7.944  -5.763
  431    HA   LEU  69           HA       LEU  69   4.519 -10.073  -3.996
  432    HB2  LEU  69          3HB       LEU  69   3.063 -10.072  -6.642
  433    HB3  LEU  69          2HB       LEU  69   3.148 -11.461  -5.584
  434    HG   LEU  69           HG       LEU  69   1.042 -10.512  -5.187
  435   HD11  LEU  69          1HD1      LEU  69   2.842  -9.456  -3.016
  436   HD12  LEU  69          2HD1      LEU  69   2.230 -11.105  -3.141
  437   HD13  LEU  69          3HD1      LEU  69   1.113  -9.767  -2.880
  438   HD21  LEU  69          1HD2      LEU  69   2.373  -7.818  -4.941
  439   HD22  LEU  69          2HD2      LEU  69   0.659  -8.149  -4.691
  440   HD23  LEU  69          3HD2      LEU  69   1.376  -8.371  -6.287
  441    H    HIS  70           HN       HIS  70   5.811  -9.195  -7.091
  442    HA   HIS  70           HA       HIS  70   7.804 -11.327  -6.746
  443    HB2  HIS  70          3HB       HIS  70   6.501 -10.394  -9.295
  444    HB3  HIS  70          2HB       HIS  70   8.076 -11.173  -9.303
  445    HD1  HIS  70          1HD       HIS  70   4.673 -11.971  -9.765
  446    HD2  HIS  70          2HD       HIS  70   7.832 -13.813  -7.794
  447    HE1  HIS  70          1HE       HIS  70   4.023 -14.391  -9.556
  448    HE2  HIS  70          2HE       HIS  70   5.870 -15.443  -8.202
  449    H    HIS  71           HN       HIS  71   7.366  -8.457  -8.801
  450    HA   HIS  71           HA       HIS  71   9.359  -6.937  -7.464
  451    HB2  HIS  71          3HB       HIS  71  10.686  -8.691  -8.820
  452    HB3  HIS  71          2HB       HIS  71  10.148  -7.805 -10.243
  453    HD1  HIS  71          1HD       HIS  71  12.634  -7.767  -7.541
  454    HD2  HIS  71          2HD       HIS  71  11.196  -5.115 -10.400
  455    HE1  HIS  71          1HE       HIS  71  14.325  -5.911  -7.649
  456    HE2  HIS  71          2HE       HIS  71  13.434  -4.309  -9.378
  457    H    HIS  72           HN       HIS  72   8.672  -4.903  -7.717
  458    HA   HIS  72           HA       HIS  72   6.670  -4.317  -9.691
  459    HB2  HIS  72          3HB       HIS  72   6.576  -2.084  -8.698
  460    HB3  HIS  72          2HB       HIS  72   6.513  -3.325  -7.457
  461    HD1  HIS  72          1HD       HIS  72   8.211  -3.180  -5.613
  462    HD2  HIS  72          2HD       HIS  72   9.121  -0.684  -8.814
  463    HE1  HIS  72          1HE       HIS  72  10.112  -1.732  -4.826
  464    HE2  HIS  72          2HE       HIS  72  10.629  -0.207  -6.765
  465    H    HIS  73           HN       HIS  73   6.785  -2.937 -11.434
  466    HA   HIS  73           HA       HIS  73   9.459  -1.995 -12.195
  467    HB2  HIS  73          3HB       HIS  73   7.510  -3.559 -13.874
  468    HB3  HIS  73          2HB       HIS  73   8.757  -2.553 -14.601
  469    HD1  HIS  73          1HD       HIS  73  11.146  -3.427 -14.573
  470    HD2  HIS  73          2HD       HIS  73   8.467  -5.878 -12.550
  471    HE1  HIS  73          1HE       HIS  73  12.399  -5.558 -14.106
  472    HE2  HIS  73          2HE       HIS  73  10.700  -7.084 -13.046
  473    H    HIS  74           HN       HIS  74   9.540  -0.053 -13.298
  474    HA   HIS  74           HA       HIS  74   7.051   1.127 -14.236
  475    HB2  HIS  74          3HB       HIS  74   7.380   3.247 -13.105
  476    HB3  HIS  74          2HB       HIS  74   7.291   1.961 -11.910
  477    HD1  HIS  74          1HD       HIS  74   9.469   4.670 -13.152
  478    HD2  HIS  74          2HD       HIS  74   9.789   1.370 -10.646
  479    HE1  HIS  74          1HE       HIS  74  11.595   5.009 -11.855
  480    HE2  HIS  74          2HE       HIS  74  11.744   3.022 -10.312
  481    H    HIS  75           HN       HIS  75   7.324   2.455 -15.982
  482    HA   HIS  75           HA       HIS  75  10.094   2.734 -16.945
  483    HB2  HIS  75          3HB       HIS  75   7.566   2.173 -18.499
  484    HB3  HIS  75          2HB       HIS  75   9.077   2.659 -19.255
  485    HD1  HIS  75          1HD       HIS  75  10.402   0.765 -20.090
  486    HD2  HIS  75          2HD       HIS  75   8.054  -0.321 -16.838
  487    HE1  HIS  75          1HE       HIS  75  10.795  -1.695 -19.765
  488    HE2  HIS  75          2HE       HIS  75   9.241  -2.358 -17.900
  Start of MODEL    9
    1    H1   MET   1          1HT       MET   1   2.957  16.117   8.891
    2    H2   MET   1          2HT       MET   1   2.083  15.131   9.946
    3    H3   MET   1          3HT       MET   1   3.756  14.943   9.807
    4    HA   MET   1           HA       MET   1   3.165  16.103  11.844
    5    HB2  MET   1          3HB       MET   1   4.552  17.813   9.767
    6    HB3  MET   1          2HB       MET   1   4.602  18.109  11.498
    7    HG2  MET   1          3HG       MET   1   5.724  15.970  11.834
    8    HG3  MET   1          2HG       MET   1   5.667  15.671  10.099
    9    HE1  MET   1          1HE       MET   1   9.466  16.362  10.679
   10    HE2  MET   1          2HE       MET   1   8.270  15.248  10.017
   11    HE3  MET   1          3HE       MET   1   8.364  15.508  11.758
   12    H    CYS   2           HN       CYS   2   2.203  17.852  12.876
   13    HA   CYS   2           HA       CYS   2   0.775  19.561  13.269
   14    HB2  CYS   2          3HB       CYS   2   2.187  20.723  11.563
   15    HB3  CYS   2          2HB       CYS   2   1.048  20.212  10.327
   16    HG   CYS   2           HG       CYS   2   0.038  22.596  10.501
   17    H    GLU   3           HN       GLU   3  -1.429  20.534  12.420
   18    HA   GLU   3           HA       GLU   3  -3.232  18.352  12.046
   19    HB2  GLU   3          3HB       GLU   3  -3.760  21.320  11.793
   20    HB3  GLU   3          2HB       GLU   3  -4.977  20.063  11.967
   21    HG2  GLU   3          3HG       GLU   3  -4.054  19.519  14.185
   22    HG3  GLU   3          2HG       GLU   3  -2.909  20.848  14.007
   23    H    PHE   4           HN       PHE   4  -2.509  21.215  10.069
   24    HA   PHE   4           HA       PHE   4  -3.018  19.568   7.653
   25    HB2  PHE   4          3HB       PHE   4  -3.454  22.565   7.969
   26    HB3  PHE   4          2HB       PHE   4  -3.726  21.628   6.507
   27    HD1  PHE   4          1HD       PHE   4  -5.688  20.297   6.228
   28    HD2  PHE   4          2HD       PHE   4  -4.968  22.346   9.886
   29    HE1  PHE   4          1HE       PHE   4  -8.017  19.892   6.908
   30    HE2  PHE   4          2HE       PHE   4  -7.292  21.940  10.575
   31    HZ   PHE   4           HZ       PHE   4  -8.821  20.712   9.087
   32    H    ILE   5           HN       ILE   5  -1.155  19.165   6.686
   33    HA   ILE   5           HA       ILE   5   1.187  20.741   7.211
   34    HB   ILE   5           HB       ILE   5   1.247  18.240   6.804
   35   HG12  ILE   5          3HG1      ILE   5   3.433  18.345   5.611
   36   HG13  ILE   5          2HG1      ILE   5   3.100  20.033   5.236
   37   HG21  ILE   5          1HG2      ILE   5   0.563  19.094   4.046
   38   HG22  ILE   5          2HG2      ILE   5   0.178  17.589   4.892
   39   HG23  ILE   5          3HG2      ILE   5   1.784  17.841   4.226
   40   HD11  ILE   5          1HD1      ILE   5   3.109  20.591   7.585
   41   HD12  ILE   5          2HD1      ILE   5   4.603  19.756   7.157
   42   HD13  ILE   5          3HD1      ILE   5   3.323  18.894   8.012
   43    H    GLU   6           HN       GLU   6  -0.442  22.515   6.383
   44    HA   GLU   6           HA       GLU   6  -0.456  22.895   3.514
   45    HB2  GLU   6          3HB       GLU   6  -2.284  23.564   5.209
   46    HB3  GLU   6          2HB       GLU   6  -1.245  24.937   5.551
   47    HG2  GLU   6          3HG       GLU   6  -3.010  25.491   3.951
   48    HG3  GLU   6          2HG       GLU   6  -1.401  25.676   3.255
   49    H    ASP   7           HN       ASP   7   2.038  22.709   3.989
   50    HA   ASP   7           HA       ASP   7   3.357  25.194   4.577
   51    HB2  ASP   7          3HB       ASP   7   4.371  22.580   3.456
   52    HB3  ASP   7          2HB       ASP   7   5.394  24.002   3.578
   53    H    SER   8           HN       SER   8   1.536  24.273   2.036
   54    HA   SER   8           HA       SER   8   2.882  25.100  -0.249
   55    HB2  SER   8          3HB       SER   8  -0.016  25.751   0.173
   56    HB3  SER   8          2HB       SER   8   0.785  25.124  -1.267
   57    HG   SER   8           HG       SER   8  -0.459  23.766   0.645
   58    H    GLU   9           HN       GLU   9   1.593  26.933   2.374
   59    HA   GLU   9           HA       GLU   9   1.650  29.454   0.928
   60    HB2  GLU   9          3HB       GLU   9   0.847  28.803   3.763
   61    HB3  GLU   9          2HB       GLU   9   0.727  30.394   3.022
   62    HG2  GLU   9          3HG       GLU   9  -0.819  29.482   1.349
   63    HG3  GLU   9          2HG       GLU   9  -0.720  27.908   2.136
   64    H    ASP  10           HN       ASP  10   4.047  27.756   1.880
   65    HA   ASP  10           HA       ASP  10   5.376  28.819   4.017
   66    HB2  ASP  10          3HB       ASP  10   7.445  27.959   3.026
   67    HB3  ASP  10          2HB       ASP  10   6.124  26.812   2.875
   68    H    ILE  11           HN       ILE  11   5.137  31.002   4.204
   69    HA   ILE  11           HA       ILE  11   5.889  32.977   2.398
   70    HB   ILE  11           HB       ILE  11   6.081  33.071   5.416
   71   HG12  ILE  11          3HG1      ILE  11   3.838  33.885   3.552
   72   HG13  ILE  11          2HG1      ILE  11   3.838  32.470   4.600
   73   HG21  ILE  11          1HG2      ILE  11   5.893  35.503   5.155
   74   HG22  ILE  11          2HG2      ILE  11   5.942  35.315   3.403
   75   HG23  ILE  11          3HG2      ILE  11   7.345  34.875   4.376
   76   HD11  ILE  11          1HD1      ILE  11   2.514  34.269   5.543
   77   HD12  ILE  11          2HD1      ILE  11   3.918  35.336   5.507
   78   HD13  ILE  11          3HD1      ILE  11   3.913  33.921   6.556
   79    H    GLN  12           HN       GLN  12   7.842  31.168   4.731
   80    HA   GLN  12           HA       GLN  12  10.170  32.714   4.506
   81    HB2  GLN  12          3HB       GLN  12   9.689  31.277   6.397
   82    HB3  GLN  12          2HB       GLN  12   9.699  29.862   5.360
   83    HG2  GLN  12          3HG       GLN  12  11.713  30.087   6.679
   84    HG3  GLN  12          2HG       GLN  12  12.034  30.116   4.951
   85   HE21  GLN  12          1HE2      GLN  12  14.005  31.153   5.220
   86   HE22  GLN  12          2HE2      GLN  12  14.117  32.824   5.658
   87    H    GLY  13           HN       GLY  13   8.795  30.232   2.517
   88    HA2  GLY  13          2HA       GLY  13  11.293  29.745   1.104
   89    HA3  GLY  13          1HA       GLY  13   9.732  29.013   0.751
   90    H    LEU  14           HN       LEU  14   9.644  32.369   1.194
   91    HA   LEU  14           HA       LEU  14   9.291  34.155  -0.152
   92    HB2  LEU  14          3HB       LEU  14  11.590  33.543  -0.937
   93    HB3  LEU  14          2HB       LEU  14  10.849  32.614  -2.223
   94    HG   LEU  14           HG       LEU  14   9.833  34.698  -3.104
   95   HD11  LEU  14          1HD1      LEU  14  11.504  36.021  -0.972
   96   HD12  LEU  14          2HD1      LEU  14   9.743  35.989  -1.050
   97   HD13  LEU  14          3HD1      LEU  14  10.663  36.855  -2.281
   98   HD21  LEU  14          1HD2      LEU  14  11.884  35.609  -4.031
   99   HD22  LEU  14          2HD2      LEU  14  11.958  33.849  -3.980
  100   HD23  LEU  14          3HD2      LEU  14  12.827  34.804  -2.780
  101    H    LYS  15           HN       LYS  15   7.580  31.699  -0.190
  102    HA   LYS  15           HA       LYS  15   6.532  31.421  -2.834
  103    HB2  LYS  15          3HB       LYS  15   6.369  29.683  -0.979
  104    HB3  LYS  15          2HB       LYS  15   5.093  30.675  -0.282
  105    HG2  LYS  15          3HG       LYS  15   4.160  28.857  -1.559
  106    HG3  LYS  15          2HG       LYS  15   3.779  30.399  -2.326
  107    HD2  LYS  15          3HD       LYS  15   4.442  28.677  -3.956
  108    HD3  LYS  15          2HD       LYS  15   5.535  30.060  -3.960
  109    HE2  LYS  15          3HE       LYS  15   6.749  27.935  -4.091
  110    HE3  LYS  15          2HE       LYS  15   7.142  28.821  -2.622
  111    HZ1  LYS  15          1HZ       LYS  15   5.661  27.390  -1.378
  112    HZ2  LYS  15          2HZ       LYS  15   6.802  26.460  -2.215
  113    HZ3  LYS  15          3HZ       LYS  15   5.216  26.565  -2.801
  114    H    SER  16           HN       SER  16   6.087  33.719  -0.377
  115    HA   SER  16           HA       SER  16   3.412  34.497  -1.033
  116    HB2  SER  16          3HB       SER  16   5.492  36.079   0.484
  117    HB3  SER  16          2HB       SER  16   3.738  36.261   0.566
  118    HG   SER  16           HG       SER  16   3.645  34.146   1.451
  119    H    LEU  17           HN       LEU  17   6.296  34.871  -2.625
  120    HA   LEU  17           HA       LEU  17   5.820  37.543  -3.628
  121    HB2  LEU  17          3HB       LEU  17   8.113  36.685  -3.234
  122    HB3  LEU  17          2HB       LEU  17   7.854  35.482  -4.481
  123    HG   LEU  17           HG       LEU  17   7.553  37.341  -6.127
  124   HD11  LEU  17          1HD1      LEU  17   6.913  39.102  -4.575
  125   HD12  LEU  17          2HD1      LEU  17   8.334  39.570  -5.509
  126   HD13  LEU  17          3HD1      LEU  17   8.513  39.046  -3.835
  127   HD21  LEU  17          1HD2      LEU  17  10.173  37.248  -4.639
  128   HD22  LEU  17          2HD2      LEU  17   9.941  37.881  -6.268
  129   HD23  LEU  17          3HD2      LEU  17   9.669  36.170  -5.941
  130    H    ARG  18           HN       ARG  18   5.069  34.318  -4.444
  131    HA   ARG  18           HA       ARG  18   4.292  35.090  -7.173
  132    HB2  ARG  18          3HB       ARG  18   4.812  32.378  -5.954
  133    HB3  ARG  18          2HB       ARG  18   4.140  32.610  -7.559
  134    HG2  ARG  18          3HG       ARG  18   6.173  33.769  -8.252
  135    HG3  ARG  18          2HG       ARG  18   6.849  33.543  -6.634
  136    HD2  ARG  18          3HD       ARG  18   6.743  31.139  -6.899
  137    HD3  ARG  18          2HD       ARG  18   5.982  31.319  -8.475
  138    HE   ARG  18           HE       ARG  18   8.465  32.657  -8.444
  139   HH11  ARG  18          1HH1      ARG  18   7.093  29.445  -8.455
  140   HH12  ARG  18          2HH1      ARG  18   8.437  28.723  -9.281
  141   HH21  ARG  18          1HH2      ARG  18  10.262  31.712  -9.526
  142   HH22  ARG  18          2HH2      ARG  18  10.254  30.010  -9.863
  143    H    LYS  19           HN       LYS  19   2.214  35.538  -7.433
  144    HA   LYS  19           HA       LYS  19   0.274  34.389  -5.561
  145    HB2  LYS  19          3HB       LYS  19   0.070  36.717  -7.481
  146    HB3  LYS  19          2HB       LYS  19  -1.293  36.095  -6.568
  147    HG2  LYS  19          3HG       LYS  19  -0.474  37.998  -5.415
  148    HG3  LYS  19          2HG       LYS  19  -0.013  36.581  -4.475
  149    HD2  LYS  19          3HD       LYS  19   2.240  36.682  -5.447
  150    HD3  LYS  19          2HD       LYS  19   1.772  38.114  -6.363
  151    HE2  LYS  19          3HE       LYS  19   1.765  37.898  -3.358
  152    HE3  LYS  19          2HE       LYS  19   3.039  38.651  -4.316
  153    HZ1  LYS  19          1HZ       LYS  19   1.397  40.234  -5.151
  154    HZ2  LYS  19          2HZ       LYS  19   1.529  40.307  -3.468
  155    HZ3  LYS  19          3HZ       LYS  19   0.207  39.529  -4.176
  156    H    SER  20           HN       SER  20   1.335  32.654  -7.424
  157    HA   SER  20           HA       SER  20  -0.796  32.327  -9.421
  158    HB2  SER  20          3HB       SER  20   1.826  30.813  -9.242
  159    HB3  SER  20          2HB       SER  20   0.703  30.856 -10.601
  160    HG   SER  20           HG       SER  20   1.137  33.171 -10.674
  161    H    HIS  21           HN       HIS  21   0.833  30.703  -6.717
  162    HA   HIS  21           HA       HIS  21  -0.639  28.263  -6.984
  163    HB2  HIS  21          3HB       HIS  21   0.422  27.580  -4.936
  164    HB3  HIS  21          2HB       HIS  21   1.616  28.423  -5.913
  165    HD1  HIS  21          1HD       HIS  21   0.031  28.438  -2.616
  166    HD2  HIS  21          2HD       HIS  21   2.177  31.119  -4.957
  167    HE1  HIS  21          1HE       HIS  21   0.745  30.278  -1.056
  168    HE2  HIS  21          2HE       HIS  21   1.940  31.946  -2.520
  169    H    THR  22           HN       THR  22  -1.801  31.166  -6.255
  170    HA   THR  22           HA       THR  22  -3.182  30.702  -3.783
  171    HB   THR  22           HB       THR  22  -4.614  32.690  -4.864
  172    HG1  THR  22          1HG       THR  22  -3.623  32.645  -6.880
  173   HG21  THR  22          1HG2      THR  22  -1.804  32.931  -3.764
  174   HG22  THR  22          2HG2      THR  22  -3.292  32.852  -2.822
  175   HG23  THR  22          3HG2      THR  22  -2.979  34.241  -3.862
  176    H    SER  23           HN       SER  23  -3.797  28.763  -6.268
  177    HA   SER  23           HA       SER  23  -6.699  29.170  -6.270
  178    HB2  SER  23          3HB       SER  23  -5.009  27.349  -8.003
  179    HB3  SER  23          2HB       SER  23  -6.739  27.637  -8.179
  180    HG   SER  23           HG       SER  23  -4.986  29.825  -8.201
  181    H    LEU  24           HN       LEU  24  -4.294  27.439  -4.744
  182    HA   LEU  24           HA       LEU  24  -4.387  25.910  -3.035
  183    HB2  LEU  24          3HB       LEU  24  -7.340  26.125  -3.550
  184    HB3  LEU  24          2HB       LEU  24  -6.696  24.956  -2.418
  185    HG   LEU  24           HG       LEU  24  -7.445  26.854  -1.181
  186   HD11  LEU  24          1HD1      LEU  24  -5.383  25.800  -0.413
  187   HD12  LEU  24          2HD1      LEU  24  -5.431  27.519  -0.025
  188   HD13  LEU  24          3HD1      LEU  24  -4.445  26.948  -1.368
  189   HD21  LEU  24          1HD2      LEU  24  -7.437  28.525  -2.945
  190   HD22  LEU  24          2HD2      LEU  24  -5.673  28.541  -2.942
  191   HD23  LEU  24          3HD2      LEU  24  -6.565  29.108  -1.528
  192    H    GLU  25           HN       GLU  25  -5.360  25.282  -6.178
  193    HA   GLU  25           HA       GLU  25  -5.061  22.379  -5.766
  194    HB2  GLU  25          3HB       GLU  25  -6.601  23.813  -7.942
  195    HB3  GLU  25          2HB       GLU  25  -6.431  22.069  -7.786
  196    HG2  GLU  25          3HG       GLU  25  -7.667  22.090  -5.723
  197    HG3  GLU  25          2HG       GLU  25  -7.734  23.850  -5.742
  198    H    ASP  26           HN       ASP  26  -3.070  24.512  -6.201
  199    HA   ASP  26           HA       ASP  26  -2.185  24.170  -8.932
  200    HB2  ASP  26          3HB       ASP  26  -1.064  25.751  -6.615
  201    HB3  ASP  26          2HB       ASP  26  -0.310  25.687  -8.206
  202    H    ASP  27           HN       ASP  27   0.049  23.617  -9.391
  203    HA   ASP  27           HA       ASP  27   0.653  21.110  -8.056
  204    HB2  ASP  27          3HB       ASP  27   0.411  21.105 -10.487
  205    HB3  ASP  27          2HB       ASP  27   1.689  22.304 -10.635
  206    H    ASP  28           HN       ASP  28   1.475  24.133  -7.504
  207    HA   ASP  28           HA       ASP  28   4.094  24.668  -7.515
  208    HB2  ASP  28          3HB       ASP  28   2.565  26.191  -6.469
  209    HB3  ASP  28          2HB       ASP  28   2.209  25.028  -5.195
  210    H    ASP  29           HN       ASP  29   2.789  23.209  -4.621
  211    HA   ASP  29           HA       ASP  29   3.718  21.867  -3.020
  212    HB2  ASP  29          3HB       ASP  29   3.002  20.291  -4.802
  213    HB3  ASP  29          2HB       ASP  29   4.625  20.352  -5.475
  214    H    GLY  30           HN       GLY  30   5.306  24.032  -3.366
  215    HA2  GLY  30          2HA       GLY  30   7.987  23.629  -4.008
  216    HA3  GLY  30          1HA       GLY  30   7.396  24.807  -2.843
  217    H    SER  31           HN       SER  31   6.875  23.936  -0.668
  218    HA   SER  31           HA       SER  31   8.939  22.121   0.226
  219    HB2  SER  31          3HB       SER  31   7.831  22.695   2.492
  220    HB3  SER  31          2HB       SER  31   8.676  23.990   1.639
  221    HG   SER  31           HG       SER  31   6.695  24.787   2.237
  222    H    ARG  32           HN       ARG  32   5.454  22.421   0.628
  223    HA   ARG  32           HA       ARG  32   4.965  19.699  -0.037
  224    HB2  ARG  32          3HB       ARG  32   5.847  19.475   2.288
  225    HB3  ARG  32          2HB       ARG  32   4.517  20.477   2.847
  226    HG2  ARG  32          3HG       ARG  32   3.883  18.264   3.293
  227    HG3  ARG  32          2HG       ARG  32   2.962  18.743   1.868
  228    HD2  ARG  32          3HD       ARG  32   5.566  17.243   1.698
  229    HD3  ARG  32          2HD       ARG  32   4.011  16.429   1.829
  230    HE   ARG  32           HE       ARG  32   4.317  18.331  -0.354
  231   HH11  ARG  32          1HH1      ARG  32   4.272  14.983   0.684
  232   HH12  ARG  32          2HH1      ARG  32   4.104  14.372  -0.935
  233   HH21  ARG  32          1HH2      ARG  32   4.083  17.541  -2.449
  234   HH22  ARG  32          2HH2      ARG  32   3.974  15.821  -2.715
  235    H    GLY  33           HN       GLY  33   3.365  20.354  -1.410
  236    HA2  GLY  33          2HA       GLY  33   1.240  22.097  -0.392
  237    HA3  GLY  33          1HA       GLY  33   1.449  21.570  -2.059
  238    H    GLY  34           HN       GLY  34   0.866  20.159   1.148
  239    HA2  GLY  34          2HA       GLY  34  -0.884  18.709   1.735
  240    HA3  GLY  34          1HA       GLY  34  -1.274  18.513   0.028
  241    H    ASP  35           HN       ASP  35  -0.664  16.410   2.213
  242    HA   ASP  35           HA       ASP  35   1.584  15.143   0.802
  243    HB2  ASP  35          3HB       ASP  35   2.285  16.131   3.002
  244    HB3  ASP  35          2HB       ASP  35   1.180  15.018   3.799
  245    H    CYS  36           HN       CYS  36  -1.576  14.865   2.061
  246    HA   CYS  36           HA       CYS  36  -1.558  12.001   2.333
  247    HB2  CYS  36          3HB       CYS  36  -4.048  12.301   2.550
  248    HB3  CYS  36          2HB       CYS  36  -3.095  13.207   3.717
  249    HG   CYS  36           HG       CYS  36  -4.914  15.060   3.224
  250    H    GLU  37           HN       GLU  37  -0.813  11.263   0.374
  251    HA   GLU  37           HA       GLU  37  -2.162  11.936  -2.077
  252    HB2  GLU  37          3HB       GLU  37   0.295  11.398  -1.872
  253    HB3  GLU  37          2HB       GLU  37  -0.159   9.726  -1.597
  254    HG2  GLU  37          3HG       GLU  37  -1.021  11.194  -4.062
  255    HG3  GLU  37          2HG       GLU  37   0.557  10.416  -3.947
  256    H    GLY  38           HN       GLY  38  -1.711   8.820  -0.331
  257    HA2  GLY  38          2HA       GLY  38  -3.838   7.899   0.523
  258    HA3  GLY  38          1HA       GLY  38  -4.513   8.216  -1.064
  259    H    CYS  39           HN       CYS  39  -1.963   7.205  -2.389
  260    HA   CYS  39           HA       CYS  39  -1.888   4.417  -1.697
  261    HB2  CYS  39          3HB       CYS  39  -4.101   4.947  -3.019
  262    HB3  CYS  39          2HB       CYS  39  -3.026   4.942  -4.414
  263    H    SER  40           HN       SER  40   0.326   5.491  -1.674
  264    HA   SER  40           HA       SER  40   2.208   4.612  -3.238
  265    HB2  SER  40          3HB       SER  40   0.954   5.492  -5.220
  266    HB3  SER  40          2HB       SER  40   1.309   7.124  -4.670
  267    HG   SER  40           HG       SER  40   3.283   6.931  -5.381
  268    H    GLY  41           HN       GLY  41   1.083   7.914  -2.717
  269    HA2  GLY  41          2HA       GLY  41   3.623   8.574  -1.365
  270    HA3  GLY  41          1HA       GLY  41   2.334   9.719  -1.695
  271    H    THR  42           HN       THR  42   1.677   6.627  -0.291
  272    HA   THR  42           HA       THR  42   1.413   7.882   2.369
  273    HB   THR  42           HB       THR  42  -0.325   5.705   1.174
  274    HG1  THR  42          1HG       THR  42  -1.194   8.260   2.037
  275   HG21  THR  42          1HG2      THR  42  -0.519   7.079   3.860
  276   HG22  THR  42          2HG2      THR  42   0.016   5.419   3.598
  277   HG23  THR  42          3HG2      THR  42  -1.644   5.880   3.221
  278    H    ALA  43           HN       ALA  43   2.551   6.931   3.957
  279    HA   ALA  43           HA       ALA  43   4.252   4.696   3.133
  280    HB1  ALA  43          1HB       ALA  43   5.667   5.335   5.009
  281    HB2  ALA  43          2HB       ALA  43   4.476   6.528   5.526
  282    HB3  ALA  43          3HB       ALA  43   5.320   6.733   3.991
  283    H    CYS  44           HN       CYS  44   3.983   2.786   3.748
  284    HA   CYS  44           HA       CYS  44   2.411   2.147   6.149
  285    HB2  CYS  44          3HB       CYS  44   2.303  -0.131   5.103
  286    HB3  CYS  44          2HB       CYS  44   1.505   1.131   4.170
  287    H    SER  45           HN       SER  45   3.528   1.438   7.855
  288    HA   SER  45           HA       SER  45   6.076   0.097   7.430
  289    HB2  SER  45          3HB       SER  45   5.922  -0.225   9.963
  290    HB3  SER  45          2HB       SER  45   6.039   1.447   9.412
  291    HG   SER  45           HG       SER  45   4.281   0.597  11.023
  292    H    SER  46           HN       SER  46   2.716  -0.525   7.941
  293    HA   SER  46           HA       SER  46   3.270  -3.405   8.059
  294    HB2  SER  46          3HB       SER  46   0.779  -1.950   8.965
  295    HB3  SER  46          2HB       SER  46   1.096  -3.674   9.134
  296    HG   SER  46           HG       SER  46   3.140  -2.600  10.249
  297    H    ASP  47           HN       ASP  47   2.299  -4.721   6.572
  298    HA   ASP  47           HA       ASP  47   1.298  -3.744   4.166
  299    HB2  ASP  47          3HB       ASP  47   1.214  -6.455   5.444
  300    HB3  ASP  47          2HB       ASP  47   0.450  -6.158   3.885
  301    H    ALA  48           HN       ALA  48  -0.499  -4.795   7.065
  302    HA   ALA  48           HA       ALA  48  -2.978  -5.012   5.949
  303    HB1  ALA  48          1HB       ALA  48  -2.291  -4.075   8.723
  304    HB2  ALA  48          2HB       ALA  48  -2.454  -5.752   8.204
  305    HB3  ALA  48          3HB       ALA  48  -3.860  -4.689   8.204
  306    H    GLN  49           HN       GLN  49  -1.151  -2.182   6.531
  307    HA   GLN  49           HA       GLN  49  -3.304  -0.348   6.816
  308    HB2  GLN  49          3HB       GLN  49  -0.418   0.129   6.054
  309    HB3  GLN  49          2HB       GLN  49  -1.573   1.378   6.513
  310    HG2  GLN  49          3HG       GLN  49  -1.827   0.332   8.691
  311    HG3  GLN  49          2HG       GLN  49  -0.645  -0.891   8.240
  312   HE21  GLN  49          1HE2      GLN  49  -0.437   1.022  10.488
  313   HE22  GLN  49          2HE2      GLN  49   0.963   1.977  10.169
  314    H    CYS  50           HN       CYS  50  -1.370  -1.562   4.154
  315    HA   CYS  50           HA       CYS  50  -2.732   0.156   2.242
  316    HB2  CYS  50          3HB       CYS  50  -0.911  -2.169   1.643
  317    HB3  CYS  50          2HB       CYS  50  -1.393  -0.894   0.542
  318    H    ARG  51           HN       ARG  51  -2.815  -3.138   3.383
  319    HA   ARG  51           HA       ARG  51  -4.583  -4.232   1.533
  320    HB2  ARG  51          3HB       ARG  51  -4.311  -4.826   4.491
  321    HB3  ARG  51          2HB       ARG  51  -5.212  -5.810   3.357
  322    HG2  ARG  51          3HG       ARG  51  -2.246  -5.327   3.369
  323    HG3  ARG  51          2HG       ARG  51  -3.088  -6.824   3.759
  324    HD2  ARG  51          3HD       ARG  51  -3.187  -5.455   1.085
  325    HD3  ARG  51          2HD       ARG  51  -2.102  -6.784   1.488
  326    HE   ARG  51           HE       ARG  51  -4.809  -7.467   2.031
  327   HH11  ARG  51          1HH1      ARG  51  -2.540  -7.048  -0.595
  328   HH12  ARG  51          2HH1      ARG  51  -3.298  -8.235  -1.608
  329   HH21  ARG  51          1HH2      ARG  51  -5.823  -9.012   0.694
  330   HH22  ARG  51          2HH2      ARG  51  -5.166  -9.356  -0.874
  331    H    ALA  52           HN       ALA  52  -5.212  -2.606   4.622
  332    HA   ALA  52           HA       ALA  52  -8.045  -2.514   4.183
  333    HB1  ALA  52          1HB       ALA  52  -8.113  -1.155   6.201
  334    HB2  ALA  52          2HB       ALA  52  -6.357  -0.994   6.170
  335    HB3  ALA  52          3HB       ALA  52  -7.092  -2.572   6.445
  336    H    ARG  53           HN       ARG  53  -5.362  -0.699   3.124
  337    HA   ARG  53           HA       ARG  53  -6.662   1.817   2.844
  338    HB2  ARG  53          3HB       ARG  53  -4.166   1.459   2.882
  339    HB3  ARG  53          2HB       ARG  53  -4.313   0.874   1.233
  340    HG2  ARG  53          3HG       ARG  53  -3.610   3.161   1.193
  341    HG3  ARG  53          2HG       ARG  53  -5.263   3.063   0.582
  342    HD2  ARG  53          3HD       ARG  53  -5.045   4.961   2.063
  343    HD3  ARG  53          2HD       ARG  53  -6.094   3.749   2.793
  344    HE   ARG  53           HE       ARG  53  -3.341   3.545   3.604
  345   HH11  ARG  53          1HH1      ARG  53  -6.429   5.055   4.256
  346   HH12  ARG  53          2HH1      ARG  53  -6.051   5.411   5.911
  347   HH21  ARG  53          1HH2      ARG  53  -2.832   4.014   5.788
  348   HH22  ARG  53          2HH2      ARG  53  -4.004   4.817   6.783
  349    H    GLY  54           HN       GLY  54  -7.031  -1.076   1.243
  350    HA2  GLY  54          2HA       GLY  54  -8.225  -1.621  -0.665
  351    HA3  GLY  54          1HA       GLY  54  -8.527   0.095  -0.920
  352    H    CYS  55           HN       CYS  55  -5.375  -0.108  -0.332
  353    HA   CYS  55           HA       CYS  55  -4.629   0.300  -3.043
  354    HB2  CYS  55          3HB       CYS  55  -3.030   0.146  -0.497
  355    HB3  CYS  55          2HB       CYS  55  -2.227   0.199  -2.067
  356    H    ASP  56           HN       ASP  56  -2.829  -2.102  -1.060
  357    HA   ASP  56           HA       ASP  56  -3.586  -4.414  -2.338
  358    HB2  ASP  56          3HB       ASP  56  -2.948  -3.497  -4.473
  359    HB3  ASP  56          2HB       ASP  56  -1.401  -2.952  -3.844
  360    H    GLY  57           HN       GLY  57  -0.433  -2.721  -1.705
  361    HA2  GLY  57          2HA       GLY  57   0.029  -4.477   0.522
  362    HA3  GLY  57          1HA       GLY  57   0.977  -4.922  -0.888
  363    H    CYS  58           HN       CYS  58   2.003  -4.108   1.587
  364    HA   CYS  58           HA       CYS  58   3.055  -1.444   1.243
  365    HB2  CYS  58          3HB       CYS  58   2.687  -2.739   3.461
  366    HB3  CYS  58          2HB       CYS  58   4.196  -3.555   3.066
  367    H    SER  59           HN       SER  59   4.883  -0.924   0.106
  368    HA   SER  59           HA       SER  59   6.081  -3.059  -1.423
  369    HB2  SER  59          3HB       SER  59   7.288  -1.277  -2.566
  370    HB3  SER  59          2HB       SER  59   5.594  -0.812  -2.394
  371    HG   SER  59           HG       SER  59   7.585   0.628  -1.679
  372    H    THR  60           HN       THR  60   8.580  -3.137  -1.601
  373    HA   THR  60           HA       THR  60   9.824  -3.391   0.894
  374    HB   THR  60           HB       THR  60  11.969  -3.042  -0.634
  375    HG1  THR  60          1HG       THR  60  10.594  -2.244  -2.395
  376   HG21  THR  60          1HG2      THR  60  10.085  -5.387  -0.898
  377   HG22  THR  60          2HG2      THR  60  11.264  -5.153   0.392
  378   HG23  THR  60          3HG2      THR  60  11.809  -5.400  -1.267
  379    H    SER  61           HN       SER  61   8.768  -0.419  -0.203
  380    HA   SER  61           HA       SER  61  11.010   0.928   1.081
  381    HB2  SER  61          3HB       SER  61  10.403   2.911  -0.389
  382    HB3  SER  61          2HB       SER  61  11.144   1.535  -1.204
  383    HG   SER  61           HG       SER  61   8.937   2.666  -1.887
  384    H    GLY  62           HN       GLY  62   8.305  -0.044   2.123
  385    HA2  GLY  62          2HA       GLY  62   6.708   0.687   3.567
  386    HA3  GLY  62          1HA       GLY  62   7.812   2.002   3.923
  387    H    VAL  63           HN       VAL  63   6.118   1.302   0.870
  388    HA   VAL  63           HA       VAL  63   4.491   3.714   1.346
  389    HB   VAL  63           HB       VAL  63   4.639   4.405  -0.926
  390   HG11  VAL  63          1HG1      VAL  63   7.377   3.642   0.058
  391   HG12  VAL  63          2HG1      VAL  63   6.496   5.125   0.422
  392   HG13  VAL  63          3HG1      VAL  63   7.047   4.808  -1.222
  393   HG21  VAL  63          1HG2      VAL  63   5.869   3.213  -2.651
  394   HG22  VAL  63          2HG2      VAL  63   4.578   2.207  -1.995
  395   HG23  VAL  63          3HG2      VAL  63   6.248   1.926  -1.509
  396    H    CYS  64           HN       CYS  64   2.460   3.689  -0.005
  397    HA   CYS  64           HA       CYS  64   1.352   0.963   0.353
  398    HB2  CYS  64          3HB       CYS  64   0.293   3.615   1.092
  399    HB3  CYS  64          2HB       CYS  64  -0.851   2.672   0.160
  400    H    VAL  65           HN       VAL  65   1.149  -0.060  -1.522
  401    HA   VAL  65           HA       VAL  65   0.203   1.360  -3.884
  402    HB   VAL  65           HB       VAL  65   2.227   0.729  -5.207
  403   HG11  VAL  65          1HG1      VAL  65   2.671   2.521  -2.862
  404   HG12  VAL  65          2HG1      VAL  65   2.021   2.969  -4.438
  405   HG13  VAL  65          3HG1      VAL  65   3.704   2.459  -4.289
  406   HG21  VAL  65          1HG2      VAL  65   3.025  -1.076  -3.758
  407   HG22  VAL  65          2HG2      VAL  65   3.427   0.106  -2.514
  408   HG23  VAL  65          3HG2      VAL  65   4.280   0.124  -4.058
  409    H    LEU  66           HN       LEU  66   0.316  -0.157  -5.845
  410    HA   LEU  66           HA       LEU  66  -0.181  -2.908  -5.260
  411    HB2  LEU  66          3HB       LEU  66  -0.699  -1.488  -7.418
  412    HB3  LEU  66          2HB       LEU  66   0.928  -1.943  -7.880
  413    HG   LEU  66           HG       LEU  66  -1.225  -3.941  -7.200
  414   HD11  LEU  66          1HD1      LEU  66  -1.422  -4.262  -9.635
  415   HD12  LEU  66          2HD1      LEU  66  -0.373  -2.868  -9.882
  416   HD13  LEU  66          3HD1      LEU  66  -1.947  -2.664  -9.114
  417   HD21  LEU  66          1HD2      LEU  66   1.086  -4.751  -7.000
  418   HD22  LEU  66          2HD2      LEU  66   1.391  -4.248  -8.663
  419   HD23  LEU  66          3HD2      LEU  66   0.221  -5.525  -8.329
  420    H    SER  67           HN       SER  67   1.464  -3.506  -3.875
  421    HA   SER  67           HA       SER  67   4.160  -2.784  -3.990
  422    HB2  SER  67          3HB       SER  67   3.152  -3.825  -1.947
  423    HB3  SER  67          2HB       SER  67   3.102  -5.385  -2.783
  424    HG   SER  67           HG       SER  67   4.970  -4.786  -1.330
  425    H    SER  68           HN       SER  68   6.107  -4.188  -4.542
  426    HA   SER  68           HA       SER  68   5.674  -5.385  -7.131
  427    HB2  SER  68          3HB       SER  68   8.240  -5.037  -5.563
  428    HB3  SER  68          2HB       SER  68   8.097  -5.383  -7.287
  429    HG   SER  68           HG       SER  68   8.408  -3.193  -7.080
  430    H    LEU  69           HN       LEU  69   4.329  -7.082  -5.999
  431    HA   LEU  69           HA       LEU  69   5.834  -9.094  -4.546
  432    HB2  LEU  69          3HB       LEU  69   3.616  -8.425  -3.739
  433    HB3  LEU  69          2HB       LEU  69   2.904  -8.931  -5.258
  434    HG   LEU  69           HG       LEU  69   3.643 -11.268  -4.755
  435   HD11  LEU  69          1HD1      LEU  69   4.284 -10.097  -2.052
  436   HD12  LEU  69          2HD1      LEU  69   5.445 -10.759  -3.202
  437   HD13  LEU  69          3HD1      LEU  69   4.249 -11.814  -2.451
  438   HD21  LEU  69          1HD2      LEU  69   1.879 -11.688  -3.115
  439   HD22  LEU  69          2HD2      LEU  69   1.357 -10.538  -4.346
  440   HD23  LEU  69          3HD2      LEU  69   1.815  -9.967  -2.742
  441    H    HIS  70           HN       HIS  70   7.141 -10.019  -6.092
  442    HA   HIS  70           HA       HIS  70   5.969 -11.294  -8.416
  443    HB2  HIS  70          3HB       HIS  70   8.736 -11.643  -7.220
  444    HB3  HIS  70          2HB       HIS  70   8.215 -12.192  -8.808
  445    HD1  HIS  70          1HD       HIS  70   9.659  -9.318  -7.057
  446    HD2  HIS  70          2HD       HIS  70   7.705 -10.018 -10.658
  447    HE1  HIS  70          1HE       HIS  70  10.108  -7.292  -8.476
  448    HE2  HIS  70          2HE       HIS  70   8.978  -7.769 -10.678
  449    H    HIS  71           HN       HIS  71   4.362 -12.381  -7.055
  450    HA   HIS  71           HA       HIS  71   4.859 -13.824  -4.790
  451    HB2  HIS  71          3HB       HIS  71   2.714 -14.851  -5.038
  452    HB3  HIS  71          2HB       HIS  71   2.603 -13.211  -5.651
  453    HD1  HIS  71          1HD       HIS  71   1.533 -16.496  -6.432
  454    HD2  HIS  71          2HD       HIS  71   2.930 -13.290  -8.684
  455    HE1  HIS  71          1HE       HIS  71   0.755 -16.930  -8.780
  456    HE2  HIS  71          2HE       HIS  71   1.531 -14.936 -10.110
  457    H    HIS  72           HN       HIS  72   6.233 -15.370  -4.437
  458    HA   HIS  72           HA       HIS  72   6.061 -17.775  -6.074
  459    HB2  HIS  72          3HB       HIS  72   8.475 -18.027  -6.274
  460    HB3  HIS  72          2HB       HIS  72   7.963 -16.519  -7.015
  461    HD1  HIS  72          1HD       HIS  72  10.278 -17.901  -4.549
  462    HD2  HIS  72          2HD       HIS  72   8.659 -14.178  -5.436
  463    HE1  HIS  72          1HE       HIS  72  11.753 -16.229  -3.391
  464    HE2  HIS  72          2HE       HIS  72  10.850 -13.979  -4.079
  465    H    HIS  73           HN       HIS  73   5.327 -16.796  -3.319
  466    HA   HIS  73           HA       HIS  73   6.911 -18.338  -1.498
  467    HB2  HIS  73          3HB       HIS  73   4.194 -17.049  -1.272
  468    HB3  HIS  73          2HB       HIS  73   4.851 -18.051   0.012
  469    HD1  HIS  73          1HD       HIS  73   5.246 -16.317   1.763
  470    HD2  HIS  73          2HD       HIS  73   6.912 -15.278  -1.900
  471    HE1  HIS  73          1HE       HIS  73   6.595 -14.240   2.198
  472    HE2  HIS  73          2HE       HIS  73   7.500 -13.564  -0.050
  473    H    HIS  74           HN       HIS  74   6.865 -20.459  -1.221
  474    HA   HIS  74           HA       HIS  74   4.640 -21.963  -2.402
  475    HB2  HIS  74          3HB       HIS  74   7.110 -22.383  -3.024
  476    HB3  HIS  74          2HB       HIS  74   7.241 -23.145  -1.443
  477    HD1  HIS  74          1HD       HIS  74   5.667 -23.574  -4.811
  478    HD2  HIS  74          2HD       HIS  74   6.050 -25.661  -1.235
  479    HE1  HIS  74          1HE       HIS  74   4.871 -25.908  -5.299
  480    HE2  HIS  74          2HE       HIS  74   4.985 -27.108  -3.092
  481    H    HIS  75           HN       HIS  75   5.943 -20.948   0.544
  482    HA   HIS  75           HA       HIS  75   4.147 -22.772   1.984
  483    HB2  HIS  75          3HB       HIS  75   6.917 -21.928   2.855
  484    HB3  HIS  75          2HB       HIS  75   5.763 -22.762   3.885
  485    HD1  HIS  75          1HD       HIS  75   5.183 -25.260   3.202
  486    HD2  HIS  75          2HD       HIS  75   8.371 -23.531   1.170
  487    HE1  HIS  75          1HE       HIS  75   6.421 -27.170   2.138
  488    HE2  HIS  75          2HE       HIS  75   8.439 -26.114   1.064
  Start of MODEL   10
    1    H1   MET   1          1HT       MET   1  -4.294   6.780 -23.654
    2    H2   MET   1          2HT       MET   1  -2.636   7.110 -23.678
    3    H3   MET   1          3HT       MET   1  -3.653   7.976 -22.646
    4    HA   MET   1           HA       MET   1  -4.126   6.024 -21.368
    5    HB2  MET   1          3HB       MET   1  -2.155   4.644 -23.207
    6    HB3  MET   1          2HB       MET   1  -2.940   3.927 -21.806
    7    HG2  MET   1          3HG       MET   1  -4.274   4.847 -24.339
    8    HG3  MET   1          2HG       MET   1  -4.005   3.181 -23.835
    9    HE1  MET   1          1HE       MET   1  -6.448   2.750 -20.850
   10    HE2  MET   1          2HE       MET   1  -4.714   3.068 -20.835
   11    HE3  MET   1          3HE       MET   1  -5.391   1.932 -22.000
   12    H    CYS   2           HN       CYS   2  -2.588   5.165 -19.722
   13    HA   CYS   2           HA       CYS   2  -0.234   6.926 -19.553
   14    HB2  CYS   2          3HB       CYS   2  -1.922   5.826 -17.293
   15    HB3  CYS   2          2HB       CYS   2  -0.530   6.890 -17.118
   16    HG   CYS   2           HG       CYS   2  -1.977   8.847 -18.843
   17    H    GLU   3           HN       GLU   3   0.511   4.902 -20.860
   18    HA   GLU   3           HA       GLU   3   1.103   2.584 -19.245
   19    HB2  GLU   3          3HB       GLU   3   1.913   3.321 -22.060
   20    HB3  GLU   3          2HB       GLU   3   2.271   1.782 -21.292
   21    HG2  GLU   3          3HG       GLU   3  -0.461   2.887 -21.895
   22    HG3  GLU   3          2HG       GLU   3   0.353   1.568 -22.738
   23    H    PHE   4           HN       PHE   4   2.737   5.456 -20.351
   24    HA   PHE   4           HA       PHE   4   5.367   4.534 -19.606
   25    HB2  PHE   4          3HB       PHE   4   6.084   6.843 -20.023
   26    HB3  PHE   4          2HB       PHE   4   5.113   6.230 -21.353
   27    HD1  PHE   4          1HD       PHE   4   2.810   7.044 -21.675
   28    HD2  PHE   4          2HD       PHE   4   5.380   8.698 -18.716
   29    HE1  PHE   4          1HE       PHE   4   1.342   9.006 -21.507
   30    HE2  PHE   4          2HE       PHE   4   3.915  10.666 -18.540
   31    HZ   PHE   4           HZ       PHE   4   1.894  10.823 -19.938
   32    H    ILE   5           HN       ILE   5   2.697   5.711 -17.887
   33    HA   ILE   5           HA       ILE   5   4.201   6.926 -15.751
   34    HB   ILE   5           HB       ILE   5   1.667   7.357 -16.435
   35   HG12  ILE   5          3HG1      ILE   5   1.287   8.243 -14.124
   36   HG13  ILE   5          2HG1      ILE   5   2.761   7.423 -13.620
   37   HG21  ILE   5          1HG2      ILE   5   1.431   5.218 -14.316
   38   HG22  ILE   5          2HG2      ILE   5   0.737   5.188 -15.936
   39   HG23  ILE   5          3HG2      ILE   5   0.140   6.336 -14.743
   40   HD11  ILE   5          1HD1      ILE   5   4.057   8.782 -15.159
   41   HD12  ILE   5          2HD1      ILE   5   3.127   9.793 -14.055
   42   HD13  ILE   5          3HD1      ILE   5   2.585   9.571 -15.718
   43    H    GLU   6           HN       GLU   6   4.344   3.886 -16.579
   44    HA   GLU   6           HA       GLU   6   3.830   2.707 -13.948
   45    HB2  GLU   6          3HB       GLU   6   4.780   1.358 -16.491
   46    HB3  GLU   6          2HB       GLU   6   4.466   0.547 -14.971
   47    HG2  GLU   6          3HG       GLU   6   2.085   1.473 -15.180
   48    HG3  GLU   6          2HG       GLU   6   2.505   1.776 -16.866
   49    H    ASP   7           HN       ASP   7   5.869   4.695 -14.395
   50    HA   ASP   7           HA       ASP   7   8.402   3.269 -14.246
   51    HB2  ASP   7          3HB       ASP   7   9.408   5.511 -14.337
   52    HB3  ASP   7          2HB       ASP   7   8.265   5.271 -15.653
   53    H    SER   8           HN       SER   8   6.301   3.244 -12.106
   54    HA   SER   8           HA       SER   8   6.866   4.834  -9.928
   55    HB2  SER   8          3HB       SER   8   4.909   3.342 -10.088
   56    HB3  SER   8          2HB       SER   8   5.963   1.944  -9.897
   57    HG   SER   8           HG       SER   8   5.519   4.011  -8.000
   58    H    GLU   9           HN       GLU   9   8.372   1.755 -10.833
   59    HA   GLU   9           HA       GLU   9   9.854   1.448  -8.457
   60    HB2  GLU   9          3HB       GLU   9  11.124  -0.250  -9.695
   61    HB3  GLU   9          2HB       GLU   9   9.391  -0.433  -9.911
   62    HG2  GLU   9          3HG       GLU   9   9.565   0.674 -12.097
   63    HG3  GLU   9          2HG       GLU   9  11.311   0.787 -11.878
   64    H    ASP  10           HN       ASP  10  10.575   3.138 -11.469
   65    HA   ASP  10           HA       ASP  10  13.304   3.590 -10.520
   66    HB2  ASP  10          3HB       ASP  10  13.776   4.451 -12.795
   67    HB3  ASP  10          2HB       ASP  10  13.216   2.785 -12.783
   68    H    ILE  11           HN       ILE  11  10.411   5.076 -10.152
   69    HA   ILE  11           HA       ILE  11  11.177   7.806 -10.300
   70    HB   ILE  11           HB       ILE  11   9.237   6.454  -8.401
   71   HG12  ILE  11          3HG1      ILE  11   8.773   8.057 -10.926
   72   HG13  ILE  11          2HG1      ILE  11   8.576   6.315 -10.758
   73   HG21  ILE  11          1HG2      ILE  11  10.043   8.541  -7.442
   74   HG22  ILE  11          2HG2      ILE  11   8.358   8.692  -7.941
   75   HG23  ILE  11          3HG2      ILE  11   9.637   9.396  -8.930
   76   HD11  ILE  11          1HD1      ILE  11   6.952   8.450  -9.396
   77   HD12  ILE  11          2HD1      ILE  11   6.787   6.719  -9.106
   78   HD13  ILE  11          3HD1      ILE  11   6.426   7.384 -10.699
   79    H    GLN  12           HN       GLN  12  11.509   5.285  -7.881
   80    HA   GLN  12           HA       GLN  12  12.656   6.775  -5.820
   81    HB2  GLN  12          3HB       GLN  12  11.626   4.551  -5.606
   82    HB3  GLN  12          2HB       GLN  12  12.925   3.862  -6.567
   83    HG2  GLN  12          3HG       GLN  12  13.257   3.424  -4.248
   84    HG3  GLN  12          2HG       GLN  12  14.520   4.483  -4.860
   85   HE21  GLN  12          1HE2      GLN  12  15.016   5.283  -2.826
   86   HE22  GLN  12          2HE2      GLN  12  13.971   6.372  -1.981
   87    H    GLY  13           HN       GLY  13  13.889   5.605  -8.811
   88    HA2  GLY  13          2HA       GLY  13  16.674   5.692  -8.064
   89    HA3  GLY  13          1HA       GLY  13  16.029   5.479  -9.686
   90    H    LEU  14           HN       LEU  14  14.571   8.074  -8.201
   91    HA   LEU  14           HA       LEU  14  14.754  10.325  -8.257
   92    HB2  LEU  14          3HB       LEU  14  17.696   9.808  -8.669
   93    HB3  LEU  14          2HB       LEU  14  16.983  11.361  -8.281
   94    HG   LEU  14           HG       LEU  14  16.951   8.921  -6.504
   95   HD11  LEU  14          1HD1      LEU  14  18.489  11.501  -6.283
   96   HD12  LEU  14          2HD1      LEU  14  19.163   9.925  -6.695
   97   HD13  LEU  14          3HD1      LEU  14  18.476  10.198  -5.094
   98   HD21  LEU  14          1HD2      LEU  14  15.935  11.720  -6.034
   99   HD22  LEU  14          2HD2      LEU  14  16.058  10.463  -4.805
  100   HD23  LEU  14          3HD2      LEU  14  14.959  10.257  -6.168
  101    H    LYS  15           HN       LYS  15  14.136   8.889 -10.645
  102    HA   LYS  15           HA       LYS  15  15.395  10.114 -12.880
  103    HB2  LYS  15          3HB       LYS  15  13.991   8.068 -13.115
  104    HB3  LYS  15          2HB       LYS  15  12.564   9.030 -12.744
  105    HG2  LYS  15          3HG       LYS  15  12.892  10.349 -14.742
  106    HG3  LYS  15          2HG       LYS  15  14.385   9.487 -15.096
  107    HD2  LYS  15          3HD       LYS  15  12.734   8.542 -16.500
  108    HD3  LYS  15          2HD       LYS  15  12.996   7.377 -15.205
  109    HE2  LYS  15          3HE       LYS  15  10.796   9.411 -15.043
  110    HE3  LYS  15          2HE       LYS  15  10.579   7.906 -15.931
  111    HZ1  LYS  15          1HZ       LYS  15  11.187   6.714 -13.868
  112    HZ2  LYS  15          2HZ       LYS  15   9.753   7.616 -13.735
  113    HZ3  LYS  15          3HZ       LYS  15  11.185   8.198 -13.045
  114    H    SER  16           HN       SER  16  13.076  11.207 -10.604
  115    HA   SER  16           HA       SER  16  12.002  13.333 -12.190
  116    HB2  SER  16          3HB       SER  16  10.829  12.269 -10.221
  117    HB3  SER  16          2HB       SER  16  11.979  13.097  -9.172
  118    HG   SER  16           HG       SER  16  10.205  14.337 -11.011
  119    H    LEU  17           HN       LEU  17  14.931  12.841 -10.564
  120    HA   LEU  17           HA       LEU  17  15.483  15.647 -10.103
  121    HB2  LEU  17          3HB       LEU  17  16.415  13.847  -8.654
  122    HB3  LEU  17          2HB       LEU  17  17.341  13.262 -10.021
  123    HG   LEU  17           HG       LEU  17  18.573  15.409 -10.079
  124   HD11  LEU  17          1HD1      LEU  17  17.016  16.003  -7.565
  125   HD12  LEU  17          2HD1      LEU  17  16.889  16.859  -9.101
  126   HD13  LEU  17          3HD1      LEU  17  18.383  16.938  -8.169
  127   HD21  LEU  17          1HD2      LEU  17  18.612  13.991  -7.417
  128   HD22  LEU  17          2HD2      LEU  17  19.895  15.016  -8.060
  129   HD23  LEU  17          3HD2      LEU  17  19.486  13.503  -8.869
  130    H    ARG  18           HN       ARG  18  15.329  13.661 -12.726
  131    HA   ARG  18           HA       ARG  18  17.547  14.887 -14.177
  132    HB2  ARG  18          3HB       ARG  18  17.261  12.440 -14.288
  133    HB3  ARG  18          2HB       ARG  18  15.658  12.662 -14.969
  134    HG2  ARG  18          3HG       ARG  18  16.634  13.712 -16.942
  135    HG3  ARG  18          2HG       ARG  18  18.246  13.506 -16.255
  136    HD2  ARG  18          3HD       ARG  18  17.906  11.079 -16.211
  137    HD3  ARG  18          2HD       ARG  18  16.310  11.296 -16.926
  138    HE   ARG  18           HE       ARG  18  18.120  12.518 -18.631
  139   HH11  ARG  18          1HH1      ARG  18  17.486   9.312 -17.397
  140   HH12  ARG  18          2HH1      ARG  18  18.087   8.507 -18.811
  141   HH21  ARG  18          1HH2      ARG  18  18.937  11.459 -20.497
  142   HH22  ARG  18          2HH2      ARG  18  18.913   9.728 -20.574
  143    H    LYS  19           HN       LYS  19  16.862  16.927 -14.625
  144    HA   LYS  19           HA       LYS  19  15.910  18.593 -15.826
  145    HB2  LYS  19          3HB       LYS  19  15.053  16.311 -17.609
  146    HB3  LYS  19          2HB       LYS  19  14.957  18.008 -18.044
  147    HG2  LYS  19          3HG       LYS  19  17.464  16.441 -17.474
  148    HG3  LYS  19          2HG       LYS  19  16.897  16.991 -19.051
  149    HD2  LYS  19          3HD       LYS  19  17.692  18.772 -16.749
  150    HD3  LYS  19          2HD       LYS  19  18.677  18.431 -18.169
  151    HE2  LYS  19          3HE       LYS  19  17.078  19.504 -19.603
  152    HE3  LYS  19          2HE       LYS  19  15.952  19.709 -18.263
  153    HZ1  LYS  19          1HZ       LYS  19  17.563  21.171 -17.196
  154    HZ2  LYS  19          2HZ       LYS  19  17.117  21.757 -18.717
  155    HZ3  LYS  19          3HZ       LYS  19  18.613  20.996 -18.511
  156    H    SER  20           HN       SER  20  14.251  17.232 -13.726
  157    HA   SER  20           HA       SER  20  11.614  17.951 -14.819
  158    HB2  SER  20          3HB       SER  20  12.170  15.959 -12.611
  159    HB3  SER  20          2HB       SER  20  10.599  16.328 -13.323
  160    HG   SER  20           HG       SER  20  12.676  15.536 -15.029
  161    H    HIS  21           HN       HIS  21  12.549  17.385 -11.400
  162    HA   HIS  21           HA       HIS  21  11.458  20.040 -10.852
  163    HB2  HIS  21          3HB       HIS  21  11.219  19.419  -8.575
  164    HB3  HIS  21          2HB       HIS  21  10.704  18.028  -9.511
  165    HD1  HIS  21          1HD       HIS  21  13.614  19.224  -7.403
  166    HD2  HIS  21          2HD       HIS  21  12.032  15.699  -8.936
  167    HE1  HIS  21          1HE       HIS  21  14.903  17.372  -6.307
  168    HE2  HIS  21          2HE       HIS  21  13.754  15.261  -7.057
  169    H    THR  22           HN       THR  22  14.333  18.768 -11.609
  170    HA   THR  22           HA       THR  22  16.222  19.802  -9.850
  171    HB   THR  22           HB       THR  22  16.925  20.180 -12.691
  172    HG1  THR  22          1HG       THR  22  16.828  17.546 -12.328
  173   HG21  THR  22          1HG2      THR  22  18.570  20.047 -10.874
  174   HG22  THR  22          2HG2      THR  22  18.778  18.731 -12.026
  175   HG23  THR  22          3HG2      THR  22  17.998  18.429 -10.475
  176    H    SER  23           HN       SER  23  14.745  21.717 -12.595
  177    HA   SER  23           HA       SER  23  15.440  24.097 -11.065
  178    HB2  SER  23          3HB       SER  23  16.128  23.701 -13.986
  179    HB3  SER  23          2HB       SER  23  16.311  25.211 -13.094
  180    HG   SER  23           HG       SER  23  17.844  22.897 -13.022
  181    H    LEU  24           HN       LEU  24  13.238  22.407 -13.053
  182    HA   LEU  24           HA       LEU  24  11.757  24.863 -13.659
  183    HB2  LEU  24          3HB       LEU  24  11.506  22.087 -14.799
  184    HB3  LEU  24          2HB       LEU  24  10.404  23.396 -15.176
  185    HG   LEU  24           HG       LEU  24  13.356  23.316 -15.805
  186   HD11  LEU  24          1HD1      LEU  24  10.935  23.227 -17.600
  187   HD12  LEU  24          2HD1      LEU  24  11.982  21.862 -17.214
  188   HD13  LEU  24          3HD1      LEU  24  12.620  23.233 -18.121
  189   HD21  LEU  24          1HD2      LEU  24  12.706  25.582 -15.297
  190   HD22  LEU  24          2HD2      LEU  24  11.289  25.445 -16.335
  191   HD23  LEU  24          3HD2      LEU  24  12.905  25.409 -17.040
  192    H    GLU  25           HN       GLU  25  11.164  21.582 -12.403
  193    HA   GLU  25           HA       GLU  25   9.546  20.737 -11.018
  194    HB2  GLU  25          3HB       GLU  25   9.355  23.581 -10.008
  195    HB3  GLU  25          2HB       GLU  25   8.742  22.149  -9.193
  196    HG2  GLU  25          3HG       GLU  25  11.092  21.298  -9.124
  197    HG3  GLU  25          2HG       GLU  25  11.609  22.879  -9.706
  198    H    ASP  26           HN       ASP  26   8.140  20.245 -12.716
  199    HA   ASP  26           HA       ASP  26   5.978  22.190 -13.195
  200    HB2  ASP  26          3HB       ASP  26   7.231  21.476 -15.203
  201    HB3  ASP  26          2HB       ASP  26   6.830  19.799 -14.854
  202    H    ASP  27           HN       ASP  27   3.814  21.022 -13.696
  203    HA   ASP  27           HA       ASP  27   3.212  19.500 -11.349
  204    HB2  ASP  27          3HB       ASP  27   1.509  20.515 -13.608
  205    HB3  ASP  27          2HB       ASP  27   0.857  19.504 -12.323
  206    H    ASP  28           HN       ASP  28   4.285  18.691 -14.367
  207    HA   ASP  28           HA       ASP  28   2.968  16.179 -14.671
  208    HB2  ASP  28          3HB       ASP  28   3.991  17.183 -16.621
  209    HB3  ASP  28          2HB       ASP  28   5.565  17.177 -15.831
  210    H    ASP  29           HN       ASP  29   6.236  17.020 -13.717
  211    HA   ASP  29           HA       ASP  29   6.781  14.414 -12.664
  212    HB2  ASP  29          3HB       ASP  29   8.923  15.271 -12.008
  213    HB3  ASP  29          2HB       ASP  29   8.546  15.946 -13.587
  214    H    GLY  30           HN       GLY  30   5.352  17.294 -11.488
  215    HA2  GLY  30          2HA       GLY  30   5.581  16.740  -8.705
  216    HA3  GLY  30          1HA       GLY  30   4.392  17.796  -9.460
  217    H    SER  31           HN       SER  31   3.268  15.834 -11.213
  218    HA   SER  31           HA       SER  31   1.640  14.378  -9.279
  219    HB2  SER  31          3HB       SER  31   1.294  14.628 -12.279
  220    HB3  SER  31          2HB       SER  31   0.112  13.988 -11.139
  221    HG   SER  31           HG       SER  31   1.071  16.652 -11.352
  222    H    ARG  32           HN       ARG  32   4.449  13.682 -10.123
  223    HA   ARG  32           HA       ARG  32   4.642  11.454 -11.719
  224    HB2  ARG  32          3HB       ARG  32   6.687  10.942 -10.624
  225    HB3  ARG  32          2HB       ARG  32   6.530  12.690 -10.580
  226    HG2  ARG  32          3HG       ARG  32   5.627  12.423  -8.228
  227    HG3  ARG  32          2HG       ARG  32   6.138  10.739  -8.331
  228    HD2  ARG  32          3HD       ARG  32   8.433  11.476  -8.789
  229    HD3  ARG  32          2HD       ARG  32   7.913  13.155  -8.641
  230    HE   ARG  32           HE       ARG  32   7.871  11.192  -6.436
  231   HH11  ARG  32          1HH1      ARG  32   8.128  14.490  -7.590
  232   HH12  ARG  32          2HH1      ARG  32   8.499  15.136  -6.026
  233   HH21  ARG  32          1HH2      ARG  32   8.375  12.047  -4.380
  234   HH22  ARG  32          2HH2      ARG  32   8.641  13.754  -4.201
  235    H    GLY  33           HN       GLY  33   4.315   9.271 -11.495
  236    HA2  GLY  33          2HA       GLY  33   3.831   7.306 -10.220
  237    HA3  GLY  33          1HA       GLY  33   3.129   8.332  -8.972
  238    H    GLY  34           HN       GLY  34   1.364   9.888 -10.229
  239    HA2  GLY  34          2HA       GLY  34  -0.487   9.987 -11.662
  240    HA3  GLY  34          1HA       GLY  34  -0.181   8.327 -12.140
  241    H    ASP  35           HN       ASP  35  -0.009   7.868  -9.044
  242    HA   ASP  35           HA       ASP  35  -2.895   7.892  -8.516
  243    HB2  ASP  35          3HB       ASP  35  -1.100   5.465  -8.366
  244    HB3  ASP  35          2HB       ASP  35  -2.649   5.553  -7.540
  245    H    CYS  36           HN       CYS  36  -0.690   9.506  -7.489
  246    HA   CYS  36           HA       CYS  36  -0.234   8.492  -4.806
  247    HB2  CYS  36          3HB       CYS  36   0.584  11.163  -5.965
  248    HB3  CYS  36          2HB       CYS  36   1.187  10.420  -4.488
  249    HG   CYS  36           HG       CYS  36   2.373   8.245  -5.872
  250    H    GLU  37           HN       GLU  37  -2.351   8.454  -4.042
  251    HA   GLU  37           HA       GLU  37  -3.006  10.760  -2.523
  252    HB2  GLU  37          3HB       GLU  37  -3.987  11.097  -4.962
  253    HB3  GLU  37          2HB       GLU  37  -5.235  10.008  -4.380
  254    HG2  GLU  37          3HG       GLU  37  -4.471  12.556  -2.981
  255    HG3  GLU  37          2HG       GLU  37  -5.750  12.448  -4.186
  256    H    GLY  38           HN       GLY  38  -2.411   8.636  -1.331
  257    HA2  GLY  38          2HA       GLY  38  -3.806   7.580   0.447
  258    HA3  GLY  38          1HA       GLY  38  -4.894   7.094  -0.853
  259    H    CYS  39           HN       CYS  39  -2.589   6.714  -2.615
  260    HA   CYS  39           HA       CYS  39  -1.298   4.371  -1.492
  261    HB2  CYS  39          3HB       CYS  39  -2.304   4.644  -4.345
  262    HB3  CYS  39          2HB       CYS  39  -1.501   3.241  -3.648
  263    H    SER  40           HN       SER  40   0.816   4.373  -1.861
  264    HA   SER  40           HA       SER  40   2.841   4.652  -2.849
  265    HB2  SER  40          3HB       SER  40   3.031   5.368  -5.037
  266    HB3  SER  40          2HB       SER  40   1.311   4.976  -4.956
  267    HG   SER  40           HG       SER  40   0.788   7.050  -4.963
  268    H    GLY  41           HN       GLY  41   0.965   7.678  -2.764
  269    HA2  GLY  41          2HA       GLY  41   3.223   8.973  -1.396
  270    HA3  GLY  41          1HA       GLY  41   1.693   9.749  -1.758
  271    H    THR  42           HN       THR  42   1.505   6.645  -0.281
  272    HA   THR  42           HA       THR  42   1.179   7.898   2.358
  273    HB   THR  42           HB       THR  42  -0.470   5.608   1.262
  274    HG1  THR  42          1HG       THR  42  -0.742   8.338   1.116
  275   HG21  THR  42          1HG2      THR  42  -1.811   5.893   3.283
  276   HG22  THR  42          2HG2      THR  42  -0.749   7.192   3.822
  277   HG23  THR  42          3HG2      THR  42  -0.134   5.544   3.706
  278    H    ALA  43           HN       ALA  43   2.488   7.067   3.829
  279    HA   ALA  43           HA       ALA  43   4.199   4.855   3.046
  280    HB1  ALA  43          1HB       ALA  43   5.162   6.907   4.009
  281    HB2  ALA  43          2HB       ALA  43   5.538   5.484   4.980
  282    HB3  ALA  43          3HB       ALA  43   4.287   6.607   5.510
  283    H    CYS  44           HN       CYS  44   3.976   2.915   3.610
  284    HA   CYS  44           HA       CYS  44   2.347   2.175   5.940
  285    HB2  CYS  44          3HB       CYS  44   2.371  -0.067   4.893
  286    HB3  CYS  44          2HB       CYS  44   1.670   1.162   3.844
  287    H    SER  45           HN       SER  45   3.417   1.579   7.711
  288    HA   SER  45           HA       SER  45   6.062   0.373   7.437
  289    HB2  SER  45          3HB       SER  45   4.517   0.547  10.033
  290    HB3  SER  45          2HB       SER  45   6.258   0.489   9.781
  291    HG   SER  45           HG       SER  45   6.010   2.579   8.716
  292    H    SER  46           HN       SER  46   2.728  -0.434   7.761
  293    HA   SER  46           HA       SER  46   3.430  -3.279   8.044
  294    HB2  SER  46          3HB       SER  46   0.817  -1.915   8.731
  295    HB3  SER  46          2HB       SER  46   1.205  -3.615   8.995
  296    HG   SER  46           HG       SER  46   2.728  -3.021  10.509
  297    H    ASP  47           HN       ASP  47   2.627  -4.713   6.533
  298    HA   ASP  47           HA       ASP  47   1.675  -3.829   4.055
  299    HB2  ASP  47          3HB       ASP  47   2.877  -5.939   4.337
  300    HB3  ASP  47          2HB       ASP  47   1.512  -6.598   5.234
  301    H    ALA  48           HN       ALA  48  -0.145  -5.088   6.856
  302    HA   ALA  48           HA       ALA  48  -2.486  -5.568   5.501
  303    HB1  ALA  48          1HB       ALA  48  -3.520  -5.756   7.678
  304    HB2  ALA  48          2HB       ALA  48  -2.136  -4.954   8.420
  305    HB3  ALA  48          3HB       ALA  48  -1.941  -6.541   7.675
  306    H    GLN  49           HN       GLN  49  -1.105  -2.585   6.425
  307    HA   GLN  49           HA       GLN  49  -3.645  -1.276   6.727
  308    HB2  GLN  49          3HB       GLN  49  -2.407   0.793   7.054
  309    HB3  GLN  49          2HB       GLN  49  -1.831  -0.476   8.116
  310    HG2  GLN  49          3HG       GLN  49   0.080  -0.822   6.589
  311    HG3  GLN  49          2HG       GLN  49  -0.493   0.539   5.626
  312   HE21  GLN  49          1HE2      GLN  49  -1.389   2.074   7.906
  313   HE22  GLN  49          2HE2      GLN  49   0.038   2.655   8.700
  314    H    CYS  50           HN       CYS  50  -1.306  -1.789   4.152
  315    HA   CYS  50           HA       CYS  50  -2.612   0.126   2.422
  316    HB2  CYS  50          3HB       CYS  50  -0.853  -2.188   1.618
  317    HB3  CYS  50          2HB       CYS  50  -1.367  -0.876   0.583
  318    H    ARG  51           HN       ARG  51  -2.769  -3.276   3.151
  319    HA   ARG  51           HA       ARG  51  -4.756  -4.095   1.398
  320    HB2  ARG  51          3HB       ARG  51  -4.572  -4.893   4.318
  321    HB3  ARG  51          2HB       ARG  51  -5.367  -5.778   3.041
  322    HG2  ARG  51          3HG       ARG  51  -2.423  -5.423   3.480
  323    HG3  ARG  51          2HG       ARG  51  -3.365  -6.908   3.498
  324    HD2  ARG  51          3HD       ARG  51  -3.758  -6.758   1.141
  325    HD3  ARG  51          2HD       ARG  51  -2.988  -5.167   1.078
  326    HE   ARG  51           HE       ARG  51  -0.956  -6.539   1.971
  327   HH11  ARG  51          1HH1      ARG  51  -3.314  -7.669  -0.357
  328   HH12  ARG  51          2HH1      ARG  51  -2.185  -8.680  -1.195
  329   HH21  ARG  51          1HH2      ARG  51   0.527  -7.837   0.872
  330   HH22  ARG  51          2HH2      ARG  51   0.017  -8.770  -0.501
  331    H    ALA  52           HN       ALA  52  -4.969  -2.545   4.577
  332    HA   ALA  52           HA       ALA  52  -7.802  -2.275   4.567
  333    HB1  ALA  52          1HB       ALA  52  -5.764  -0.693   6.128
  334    HB2  ALA  52          2HB       ALA  52  -6.456  -2.236   6.624
  335    HB3  ALA  52          3HB       ALA  52  -7.486  -0.815   6.477
  336    H    ARG  53           HN       ARG  53  -5.185  -0.427   3.232
  337    HA   ARG  53           HA       ARG  53  -6.698   1.961   2.819
  338    HB2  ARG  53          3HB       ARG  53  -4.128   1.058   1.553
  339    HB3  ARG  53          2HB       ARG  53  -4.886   2.605   1.212
  340    HG2  ARG  53          3HG       ARG  53  -3.922   1.715   3.917
  341    HG3  ARG  53          2HG       ARG  53  -3.063   2.799   2.822
  342    HD2  ARG  53          3HD       ARG  53  -4.963   4.363   2.927
  343    HD3  ARG  53          2HD       ARG  53  -5.759   3.292   4.078
  344    HE   ARG  53           HE       ARG  53  -3.172   3.964   5.000
  345   HH11  ARG  53          1HH1      ARG  53  -6.369   5.319   4.588
  346   HH12  ARG  53          2HH1      ARG  53  -6.196   6.458   5.886
  347   HH21  ARG  53          1HH2      ARG  53  -2.929   5.478   6.705
  348   HH22  ARG  53          2HH2      ARG  53  -4.239   6.553   7.084
  349    H    GLY  54           HN       GLY  54  -6.804  -1.033   1.401
  350    HA2  GLY  54          2HA       GLY  54  -7.931  -1.810  -0.457
  351    HA3  GLY  54          1HA       GLY  54  -8.476  -0.161  -0.760
  352    H    CYS  55           HN       CYS  55  -5.317   0.109  -0.301
  353    HA   CYS  55           HA       CYS  55  -4.698   0.691  -2.969
  354    HB2  CYS  55          3HB       CYS  55  -2.916   0.334  -0.559
  355    HB3  CYS  55          2HB       CYS  55  -2.278   0.741  -2.151
  356    H    ASP  56           HN       ASP  56  -2.892  -1.897  -1.201
  357    HA   ASP  56           HA       ASP  56  -3.733  -4.053  -2.664
  358    HB2  ASP  56          3HB       ASP  56  -2.891  -2.901  -4.689
  359    HB3  ASP  56          2HB       ASP  56  -1.289  -2.796  -3.961
  360    H    GLY  57           HN       GLY  57  -0.535  -2.598  -1.869
  361    HA2  GLY  57          2HA       GLY  57  -0.261  -4.414   0.347
  362    HA3  GLY  57          1HA       GLY  57   0.767  -4.832  -1.018
  363    H    CYS  58           HN       CYS  58   1.820  -4.165   1.423
  364    HA   CYS  58           HA       CYS  58   2.767  -1.418   1.163
  365    HB2  CYS  58          3HB       CYS  58   2.258  -2.272   3.400
  366    HB3  CYS  58          2HB       CYS  58   3.466  -3.542   3.201
  367    H    SER  59           HN       SER  59   4.606  -0.876   0.133
  368    HA   SER  59           HA       SER  59   6.279  -3.039  -0.859
  369    HB2  SER  59          3HB       SER  59   5.644  -1.174  -2.365
  370    HB3  SER  59          2HB       SER  59   6.477  -0.043  -1.299
  371    HG   SER  59           HG       SER  59   7.483  -1.605  -3.253
  372    H    THR  60           HN       THR  60   8.561  -3.254  -0.283
  373    HA   THR  60           HA       THR  60   9.157  -2.652   2.393
  374    HB   THR  60           HB       THR  60  11.593  -3.147   1.575
  375    HG1  THR  60          1HG       THR  60  11.047  -2.831  -0.667
  376   HG21  THR  60          1HG2      THR  60  11.080  -5.553   1.603
  377   HG22  THR  60          2HG2      THR  60   9.367  -5.191   1.423
  378   HG23  THR  60          3HG2      THR  60  10.225  -4.691   2.878
  379    H    SER  61           HN       SER  61   8.963  -0.250   0.137
  380    HA   SER  61           HA       SER  61  11.175   1.255   1.275
  381    HB2  SER  61          3HB       SER  61  10.973   1.226  -1.200
  382    HB3  SER  61          2HB       SER  61   9.373   1.952  -1.060
  383    HG   SER  61           HG       SER  61  10.493   3.706   0.088
  384    H    GLY  62           HN       GLY  62   8.249   0.550   2.266
  385    HA2  GLY  62          2HA       GLY  62   6.829   1.555   3.751
  386    HA3  GLY  62          1HA       GLY  62   7.923   2.928   3.784
  387    H    VAL  63           HN       VAL  63   6.077   1.536   1.077
  388    HA   VAL  63           HA       VAL  63   4.429   3.960   1.031
  389    HB   VAL  63           HB       VAL  63   4.582   4.078  -1.448
  390   HG11  VAL  63          1HG1      VAL  63   7.201   4.404   0.008
  391   HG12  VAL  63          2HG1      VAL  63   5.907   5.596  -0.101
  392   HG13  VAL  63          3HG1      VAL  63   6.799   5.129  -1.548
  393   HG21  VAL  63          1HG2      VAL  63   6.885   2.164  -1.145
  394   HG22  VAL  63          2HG2      VAL  63   6.364   2.949  -2.634
  395   HG23  VAL  63          3HG2      VAL  63   5.318   1.766  -1.847
  396    H    CYS  64           HN       CYS  64   2.436   3.688  -0.226
  397    HA   CYS  64           HA       CYS  64   1.491   0.904   0.225
  398    HB2  CYS  64          3HB       CYS  64   0.267   3.534   0.810
  399    HB3  CYS  64          2HB       CYS  64  -0.818   2.443  -0.012
  400    H    VAL  65           HN       VAL  65   1.374  -0.205  -1.649
  401    HA   VAL  65           HA       VAL  65   0.461   1.131  -4.094
  402    HB   VAL  65           HB       VAL  65   2.522   0.678  -5.330
  403   HG11  VAL  65          1HG1      VAL  65   3.076   2.129  -2.777
  404   HG12  VAL  65          2HG1      VAL  65   2.367   2.815  -4.238
  405   HG13  VAL  65          3HG1      VAL  65   4.036   2.241  -4.253
  406   HG21  VAL  65          1HG2      VAL  65   4.542  -0.128  -4.211
  407   HG22  VAL  65          2HG2      VAL  65   3.246  -1.322  -4.133
  408   HG23  VAL  65          3HG2      VAL  65   3.628  -0.341  -2.718
  409    H    LEU  66           HN       LEU  66   0.836  -0.539  -6.028
  410    HA   LEU  66           HA       LEU  66   0.116  -3.196  -5.338
  411    HB2  LEU  66          3HB       LEU  66  -0.281  -2.150  -7.560
  412    HB3  LEU  66          2HB       LEU  66   1.448  -2.118  -7.837
  413    HG   LEU  66           HG       LEU  66   0.292  -4.778  -7.250
  414   HD11  LEU  66          1HD1      LEU  66  -1.452  -3.839  -8.659
  415   HD12  LEU  66          2HD1      LEU  66  -0.519  -5.041  -9.551
  416   HD13  LEU  66          3HD1      LEU  66  -0.245  -3.322  -9.836
  417   HD21  LEU  66          1HD2      LEU  66   1.838  -5.431  -9.031
  418   HD22  LEU  66          2HD2      LEU  66   2.654  -4.478  -7.793
  419   HD23  LEU  66          3HD2      LEU  66   2.214  -3.734  -9.329
  420    H    SER  67           HN       SER  67   1.549  -3.783  -3.720
  421    HA   SER  67           HA       SER  67   4.335  -3.324  -3.720
  422    HB2  SER  67          3HB       SER  67   3.134  -3.846  -1.623
  423    HB3  SER  67          2HB       SER  67   2.903  -5.516  -2.171
  424    HG   SER  67           HG       SER  67   4.921  -4.589  -0.839
  425    H    SER  68           HN       SER  68   5.547  -4.169  -5.532
  426    HA   SER  68           HA       SER  68   6.918  -5.658  -6.471
  427    HB2  SER  68          3HB       SER  68   6.187  -7.419  -4.130
  428    HB3  SER  68          2HB       SER  68   7.620  -7.571  -5.149
  429    HG   SER  68           HG       SER  68   8.025  -5.291  -4.448
  430    H    LEU  69           HN       LEU  69   5.101  -8.391  -5.222
  431    HA   LEU  69           HA       LEU  69   4.969  -9.326  -7.972
  432    HB2  LEU  69          3HB       LEU  69   6.002 -10.716  -6.202
  433    HB3  LEU  69          2HB       LEU  69   4.447 -10.819  -5.405
  434    HG   LEU  69           HG       LEU  69   3.532 -11.992  -7.382
  435   HD11  LEU  69          1HD1      LEU  69   5.079 -12.857  -9.077
  436   HD12  LEU  69          2HD1      LEU  69   6.383 -11.910  -8.360
  437   HD13  LEU  69          3HD1      LEU  69   5.002 -11.095  -9.093
  438   HD21  LEU  69          1HD2      LEU  69   4.707 -14.108  -7.005
  439   HD22  LEU  69          2HD2      LEU  69   4.383 -13.263  -5.490
  440   HD23  LEU  69          3HD2      LEU  69   6.004 -13.238  -6.185
  441    H    HIS  70           HN       HIS  70   3.204  -7.888  -8.503
  442    HA   HIS  70           HA       HIS  70   0.724  -9.360  -8.400
  443    HB2  HIS  70          3HB       HIS  70   1.061  -6.755  -6.994
  444    HB3  HIS  70          2HB       HIS  70  -0.407  -6.964  -7.940
  445    HD1  HIS  70          1HD       HIS  70  -0.521  -6.664  -4.878
  446    HD2  HIS  70          2HD       HIS  70  -0.438 -10.309  -6.888
  447    HE1  HIS  70          1HE       HIS  70  -1.517  -8.345  -3.292
  448    HE2  HIS  70          2HE       HIS  70  -1.286 -10.565  -4.463
  449    H    HIS  71           HN       HIS  71  -0.858  -8.422  -9.971
  450    HA   HIS  71           HA       HIS  71   0.629  -7.119 -12.155
  451    HB2  HIS  71          3HB       HIS  71  -0.147  -9.506 -12.518
  452    HB3  HIS  71          2HB       HIS  71  -1.793  -8.886 -12.487
  453    HD1  HIS  71          1HD       HIS  71   1.217  -9.137 -14.624
  454    HD2  HIS  71          2HD       HIS  71  -2.492  -7.267 -14.730
  455    HE1  HIS  71          1HE       HIS  71   0.910  -8.377 -16.997
  456    HE2  HIS  71          2HE       HIS  71  -1.259  -7.102 -16.997
  457    H    HIS  72           HN       HIS  72  -2.459  -7.281 -10.457
  458    HA   HIS  72           HA       HIS  72  -2.981  -4.530 -10.909
  459    HB2  HIS  72          3HB       HIS  72  -5.015  -4.718 -12.266
  460    HB3  HIS  72          2HB       HIS  72  -3.619  -5.319 -13.144
  461    HD1  HIS  72          1HD       HIS  72  -6.826  -6.040 -13.378
  462    HD2  HIS  72          2HD       HIS  72  -3.720  -8.443 -12.025
  463    HE1  HIS  72          1HE       HIS  72  -7.607  -8.406 -13.707
  464    HE2  HIS  72          2HE       HIS  72  -5.767  -9.837 -12.765
  465    H    HIS  73           HN       HIS  73  -4.473  -3.750  -9.477
  466    HA   HIS  73           HA       HIS  73  -5.382  -5.671  -7.487
  467    HB2  HIS  73          3HB       HIS  73  -4.222  -3.509  -6.871
  468    HB3  HIS  73          2HB       HIS  73  -5.665  -2.660  -7.416
  469    HD1  HIS  73          1HD       HIS  73  -4.434  -4.955  -4.708
  470    HD2  HIS  73          2HD       HIS  73  -7.800  -2.689  -5.631
  471    HE1  HIS  73          1HE       HIS  73  -5.869  -4.988  -2.640
  472    HE2  HIS  73          2HE       HIS  73  -7.816  -3.482  -3.169
  473    H    HIS  74           HN       HIS  74  -6.852  -6.488  -9.271
  474    HA   HIS  74           HA       HIS  74  -9.520  -5.728  -8.690
  475    HB2  HIS  74          3HB       HIS  74  -8.721  -3.913 -10.335
  476    HB3  HIS  74          2HB       HIS  74  -8.705  -5.188 -11.545
  477    HD1  HIS  74          1HD       HIS  74 -10.873  -5.656 -12.702
  478    HD2  HIS  74          2HD       HIS  74 -11.373  -3.425  -9.232
  479    HE1  HIS  74          1HE       HIS  74 -13.293  -4.977 -12.679
  480    HE2  HIS  74          2HE       HIS  74 -13.526  -3.484 -10.664
  481    H    HIS  75           HN       HIS  75 -10.989  -7.300  -9.477
  482    HA   HIS  75           HA       HIS  75  -9.798  -9.429 -11.099
  483    HB2  HIS  75          3HB       HIS  75 -11.090 -11.105  -9.699
  484    HB3  HIS  75          2HB       HIS  75  -9.687 -10.378  -8.931
  485    HD1  HIS  75          1HD       HIS  75 -13.438 -10.397  -8.803
  486    HD2  HIS  75          2HD       HIS  75 -10.220  -8.913  -6.637
  487    HE1  HIS  75          1HE       HIS  75 -14.405  -9.597  -6.624
  488    HE2  HIS  75          2HE       HIS  75 -12.424  -8.819  -5.281
  Start of MODEL   11
    1    H1   MET   1          1HT       MET   1 -16.401  -1.016 -25.964
    2    H2   MET   1          2HT       MET   1 -16.070   0.597 -25.583
    3    H3   MET   1          3HT       MET   1 -17.664   0.036 -25.576
    4    HA   MET   1           HA       MET   1 -17.238  -1.386 -23.727
    5    HB2  MET   1          3HB       MET   1 -14.442  -0.238 -23.830
    6    HB3  MET   1          2HB       MET   1 -15.060  -1.296 -22.573
    7    HG2  MET   1          3HG       MET   1 -15.376  -3.063 -24.262
    8    HG3  MET   1          2HG       MET   1 -14.660  -2.000 -25.470
    9    HE1  MET   1          1HE       MET   1 -12.159  -1.009 -25.207
   10    HE2  MET   1          2HE       MET   1 -11.021  -1.552 -23.976
   11    HE3  MET   1          3HE       MET   1 -12.414  -0.574 -23.518
   12    H    CYS   2           HN       CYS   2 -18.799   0.572 -23.695
   13    HA   CYS   2           HA       CYS   2 -17.947   2.967 -22.435
   14    HB2  CYS   2          3HB       CYS   2 -20.706   1.737 -22.620
   15    HB3  CYS   2          2HB       CYS   2 -20.366   3.383 -22.100
   16    HG   CYS   2           HG       CYS   2 -19.903   2.090 -25.236
   17    H    GLU   3           HN       GLU   3 -17.280   3.168 -20.424
   18    HA   GLU   3           HA       GLU   3 -16.906   2.819 -18.221
   19    HB2  GLU   3          3HB       GLU   3 -19.771   1.887 -18.339
   20    HB3  GLU   3          2HB       GLU   3 -18.873   2.069 -16.840
   21    HG2  GLU   3          3HG       GLU   3 -18.509   4.466 -17.454
   22    HG3  GLU   3          2HG       GLU   3 -19.622   4.218 -18.798
   23    H    PHE   4           HN       PHE   4 -15.388   1.157 -19.066
   24    HA   PHE   4           HA       PHE   4 -16.229  -1.563 -18.209
   25    HB2  PHE   4          3HB       PHE   4 -15.832  -1.245 -20.684
   26    HB3  PHE   4          2HB       PHE   4 -14.150  -0.895 -20.314
   27    HD1  PHE   4          1HD       PHE   4 -12.647  -2.621 -20.494
   28    HD2  PHE   4          2HD       PHE   4 -16.713  -3.516 -19.611
   29    HE1  PHE   4          1HE       PHE   4 -12.134  -5.024 -20.583
   30    HE2  PHE   4          2HE       PHE   4 -16.207  -5.922 -19.699
   31    HZ   PHE   4           HZ       PHE   4 -13.913  -6.677 -20.185
   32    H    ILE   5           HN       ILE   5 -14.986   0.634 -16.656
   33    HA   ILE   5           HA       ILE   5 -12.832  -0.841 -15.494
   34    HB   ILE   5           HB       ILE   5 -11.173   1.130 -15.583
   35   HG12  ILE   5          3HG1      ILE   5 -12.736   1.711 -18.120
   36   HG13  ILE   5          2HG1      ILE   5 -12.647   2.769 -16.718
   37   HG21  ILE   5          1HG2      ILE   5 -11.619  -0.603 -17.999
   38   HG22  ILE   5          2HG2      ILE   5 -10.716  -1.027 -16.545
   39   HG23  ILE   5          3HG2      ILE   5 -10.127   0.251 -17.607
   40   HD11  ILE   5          1HD1      ILE   5 -11.183   3.523 -18.488
   41   HD12  ILE   5          2HD1      ILE   5 -10.349   1.970 -18.478
   42   HD13  ILE   5          3HD1      ILE   5 -10.252   3.032 -17.074
   43    H    GLU   6           HN       GLU   6 -13.459   2.651 -15.424
   44    HA   GLU   6           HA       GLU   6 -15.152   2.771 -13.284
   45    HB2  GLU   6          3HB       GLU   6 -13.241   1.704 -12.014
   46    HB3  GLU   6          2HB       GLU   6 -12.332   3.185 -12.293
   47    HG2  GLU   6          3HG       GLU   6 -14.145   4.441 -11.155
   48    HG3  GLU   6          2HG       GLU   6 -14.902   2.900 -10.760
   49    H    ASP   7           HN       ASP   7 -12.189   4.224 -14.460
   50    HA   ASP   7           HA       ASP   7 -13.379   6.897 -14.211
   51    HB2  ASP   7          3HB       ASP   7 -11.025   6.251 -13.300
   52    HB3  ASP   7          2HB       ASP   7 -10.521   6.339 -14.982
   53    H    SER   8           HN       SER   8 -14.106   4.929 -16.249
   54    HA   SER   8           HA       SER   8 -12.704   5.296 -18.657
   55    HB2  SER   8          3HB       SER   8 -14.239   3.380 -18.106
   56    HB3  SER   8          2HB       SER   8 -15.598   4.469 -18.376
   57    HG   SER   8           HG       SER   8 -15.096   4.596 -20.502
   58    H    GLU   9           HN       GLU   9 -15.377   7.044 -17.213
   59    HA   GLU   9           HA       GLU   9 -16.278   8.386 -19.510
   60    HB2  GLU   9          3HB       GLU   9 -17.468   8.256 -17.301
   61    HB3  GLU   9          2HB       GLU   9 -16.324   9.432 -16.675
   62    HG2  GLU   9          3HG       GLU   9 -18.399  10.505 -17.291
   63    HG3  GLU   9          2HG       GLU   9 -17.086  11.058 -18.328
   64    H    ASP  10           HN       ASP  10 -13.769   9.180 -17.149
   65    HA   ASP  10           HA       ASP  10 -13.226  11.726 -18.391
   66    HB2  ASP  10          3HB       ASP  10 -12.979  11.408 -15.952
   67    HB3  ASP  10          2HB       ASP  10 -11.679  10.258 -16.249
   68    H    ILE  11           HN       ILE  11 -11.773   8.531 -18.272
   69    HA   ILE  11           HA       ILE  11  -9.367   9.189 -19.594
   70    HB   ILE  11           HB       ILE  11 -10.795   6.550 -19.287
   71   HG12  ILE  11          3HG1      ILE  11  -8.376   7.734 -17.906
   72   HG13  ILE  11          2HG1      ILE  11  -9.985   7.591 -17.208
   73   HG21  ILE  11          1HG2      ILE  11  -8.018   7.071 -20.331
   74   HG22  ILE  11          2HG2      ILE  11  -9.385   6.470 -21.268
   75   HG23  ILE  11          3HG2      ILE  11  -8.701   5.486 -19.973
   76   HD11  ILE  11          1HD1      ILE  11  -9.814   5.160 -17.323
   77   HD12  ILE  11          2HD1      ILE  11  -8.505   5.862 -16.375
   78   HD13  ILE  11          3HD1      ILE  11  -8.202   5.308 -18.020
   79    H    GLN  12           HN       GLN  12 -12.513   8.109 -20.812
   80    HA   GLN  12           HA       GLN  12 -11.524   7.849 -23.515
   81    HB2  GLN  12          3HB       GLN  12 -14.281   7.672 -22.313
   82    HB3  GLN  12          2HB       GLN  12 -13.980   7.523 -24.041
   83    HG2  GLN  12          3HG       GLN  12 -12.745   5.779 -21.931
   84    HG3  GLN  12          2HG       GLN  12 -14.167   5.358 -22.884
   85   HE21  GLN  12          1HE2      GLN  12 -11.536   4.058 -22.734
   86   HE22  GLN  12          2HE2      GLN  12 -10.930   4.034 -24.351
   87    H    GLY  13           HN       GLY  13 -12.340  10.416 -21.612
   88    HA2  GLY  13          2HA       GLY  13 -12.932  12.056 -23.999
   89    HA3  GLY  13          1HA       GLY  13 -13.657  12.379 -22.430
   90    H    LEU  14           HN       LEU  14 -10.316  11.384 -22.731
   91    HA   LEU  14           HA       LEU  14  -9.507  13.594 -21.164
   92    HB2  LEU  14          3HB       LEU  14  -7.192  12.764 -21.541
   93    HB3  LEU  14          2HB       LEU  14  -8.300  11.595 -20.863
   94    HG   LEU  14           HG       LEU  14  -8.529  10.651 -23.221
   95   HD11  LEU  14          1HD1      LEU  14  -7.599  12.551 -24.447
   96   HD12  LEU  14          2HD1      LEU  14  -6.683  11.074 -24.752
   97   HD13  LEU  14          3HD1      LEU  14  -6.042  12.298 -23.655
   98   HD21  LEU  14          1HD2      LEU  14  -6.437   9.384 -23.013
   99   HD22  LEU  14          2HD2      LEU  14  -7.288   9.533 -21.475
  100   HD23  LEU  14          3HD2      LEU  14  -5.875  10.537 -21.805
  101    H    LYS  15           HN       LYS  15  -9.898  13.272 -24.538
  102    HA   LYS  15           HA       LYS  15  -7.990  15.314 -25.195
  103    HB2  LYS  15          3HB       LYS  15  -9.046  15.261 -27.462
  104    HB3  LYS  15          2HB       LYS  15  -8.408  13.726 -26.908
  105    HG2  LYS  15          3HG       LYS  15 -10.434  13.253 -27.995
  106    HG3  LYS  15          2HG       LYS  15 -10.775  13.107 -26.277
  107    HD2  LYS  15          3HD       LYS  15 -11.852  15.258 -26.253
  108    HD3  LYS  15          2HD       LYS  15 -11.356  15.569 -27.918
  109    HE2  LYS  15          3HE       LYS  15 -12.748  13.738 -28.696
  110    HE3  LYS  15          2HE       LYS  15 -13.201  13.354 -27.038
  111    HZ1  LYS  15          1HZ       LYS  15 -14.894  14.656 -28.225
  112    HZ2  LYS  15          2HZ       LYS  15 -13.794  15.928 -28.390
  113    HZ3  LYS  15          3HZ       LYS  15 -14.316  15.455 -26.852
  114    H    SER  16           HN       SER  16 -10.843  15.475 -23.597
  115    HA   SER  16           HA       SER  16 -11.200  18.269 -24.405
  116    HB2  SER  16          3HB       SER  16 -13.038  16.877 -25.343
  117    HB3  SER  16          2HB       SER  16 -13.461  16.386 -23.705
  118    HG   SER  16           HG       SER  16 -13.312  19.120 -24.367
  119    H    LEU  17           HN       LEU  17 -11.584  15.828 -21.898
  120    HA   LEU  17           HA       LEU  17 -12.188  17.757 -19.864
  121    HB2  LEU  17          3HB       LEU  17 -11.487  14.833 -19.702
  122    HB3  LEU  17          2HB       LEU  17 -11.961  15.807 -18.323
  123    HG   LEU  17           HG       LEU  17 -13.702  15.315 -20.739
  124   HD11  LEU  17          1HD1      LEU  17 -13.370  13.249 -19.546
  125   HD12  LEU  17          2HD1      LEU  17 -14.995  13.859 -19.235
  126   HD13  LEU  17          3HD1      LEU  17 -13.737  14.038 -18.013
  127   HD21  LEU  17          1HD2      LEU  17 -15.477  16.225 -19.312
  128   HD22  LEU  17          2HD2      LEU  17 -14.205  17.406 -19.618
  129   HD23  LEU  17          3HD2      LEU  17 -14.282  16.575 -18.064
  130    H    ARG  18           HN       ARG  18  -9.359  16.481 -21.239
  131    HA   ARG  18           HA       ARG  18  -7.203  17.128 -21.099
  132    HB2  ARG  18          3HB       ARG  18  -8.361  19.358 -21.032
  133    HB3  ARG  18          2HB       ARG  18  -8.178  19.328 -19.286
  134    HG2  ARG  18          3HG       ARG  18  -5.801  19.387 -19.464
  135    HG3  ARG  18          2HG       ARG  18  -5.878  19.163 -21.213
  136    HD2  ARG  18          3HD       ARG  18  -7.030  21.522 -19.736
  137    HD3  ARG  18          2HD       ARG  18  -5.451  21.514 -20.519
  138    HE   ARG  18           HE       ARG  18  -6.887  20.885 -22.588
  139   HH11  ARG  18          1HH1      ARG  18  -7.736  23.165 -20.068
  140   HH12  ARG  18          2HH1      ARG  18  -8.756  24.119 -21.095
  141   HH21  ARG  18          1HH2      ARG  18  -8.218  22.142 -23.947
  142   HH22  ARG  18          2HH2      ARG  18  -9.023  23.540 -23.308
  143    H    LYS  19           HN       LYS  19  -8.581  15.529 -18.794
  144    HA   LYS  19           HA       LYS  19  -7.892  14.383 -16.953
  145    HB2  LYS  19          3HB       LYS  19  -6.002  14.002 -18.653
  146    HB3  LYS  19          2HB       LYS  19  -5.085  15.170 -17.718
  147    HG2  LYS  19          3HG       LYS  19  -4.438  12.996 -17.021
  148    HG3  LYS  19          2HG       LYS  19  -5.387  13.718 -15.724
  149    HD2  LYS  19          3HD       LYS  19  -6.055  11.421 -16.009
  150    HD3  LYS  19          2HD       LYS  19  -7.367  12.474 -16.535
  151    HE2  LYS  19          3HE       LYS  19  -7.083  10.626 -18.089
  152    HE3  LYS  19          2HE       LYS  19  -6.678  12.152 -18.869
  153    HZ1  LYS  19          1HZ       LYS  19  -5.088  10.369 -19.371
  154    HZ2  LYS  19          2HZ       LYS  19  -4.695  10.260 -17.730
  155    HZ3  LYS  19          3HZ       LYS  19  -4.351  11.673 -18.588
  156    H    SER  20           HN       SER  20  -8.769  16.836 -16.258
  157    HA   SER  20           HA       SER  20  -6.723  18.356 -14.884
  158    HB2  SER  20          3HB       SER  20  -9.712  18.851 -14.904
  159    HB3  SER  20          2HB       SER  20  -8.434  19.998 -14.506
  160    HG   SER  20           HG       SER  20  -7.677  19.605 -16.731
  161    H    HIS  21           HN       HIS  21  -9.260  16.059 -14.027
  162    HA   HIS  21           HA       HIS  21  -9.597  16.848 -11.369
  163    HB2  HIS  21          3HB       HIS  21 -10.633  14.704 -10.956
  164    HB3  HIS  21          2HB       HIS  21 -11.141  15.304 -12.526
  165    HD1  HIS  21          1HD       HIS  21  -9.325  12.517 -10.871
  166    HD2  HIS  21          2HD       HIS  21 -10.158  13.830 -14.730
  167    HE1  HIS  21          1HE       HIS  21  -8.810  10.576 -12.380
  168    HE2  HIS  21          2HE       HIS  21  -9.505  11.330 -14.680
  169    H    THR  22           HN       THR  22  -7.258  14.608 -12.816
  170    HA   THR  22           HA       THR  22  -6.177  13.667 -10.348
  171    HB   THR  22           HB       THR  22  -4.102  13.412 -12.086
  172    HG1  THR  22          1HG       THR  22  -4.772  13.880 -14.028
  173   HG21  THR  22          1HG2      THR  22  -6.584  11.688 -11.956
  174   HG22  THR  22          2HG2      THR  22  -5.198  11.592 -10.872
  175   HG23  THR  22          3HG2      THR  22  -5.014  11.182 -12.577
  176    H    SER  23           HN       SER  23  -6.174  16.830 -10.947
  177    HA   SER  23           HA       SER  23  -3.500  17.176  -9.811
  178    HB2  SER  23          3HB       SER  23  -4.866  19.051 -11.764
  179    HB3  SER  23          2HB       SER  23  -3.274  19.283 -11.036
  180    HG   SER  23           HG       SER  23  -2.945  17.032 -12.053
  181    H    LEU  24           HN       LEU  24  -6.858  17.729  -9.686
  182    HA   LEU  24           HA       LEU  24  -6.568  19.727  -7.565
  183    HB2  LEU  24          3HB       LEU  24  -9.039  18.718  -8.979
  184    HB3  LEU  24          2HB       LEU  24  -9.033  19.927  -7.708
  185    HG   LEU  24           HG       LEU  24  -7.755  20.220 -10.430
  186   HD11  LEU  24          1HD1      LEU  24 -10.179  20.295 -10.523
  187   HD12  LEU  24          2HD1      LEU  24  -9.502  21.902 -10.788
  188   HD13  LEU  24          3HD1      LEU  24 -10.210  21.489  -9.227
  189   HD21  LEU  24          1HD2      LEU  24  -6.492  21.428  -8.741
  190   HD22  LEU  24          2HD2      LEU  24  -7.973  22.171  -8.138
  191   HD23  LEU  24          3HD2      LEU  24  -7.390  22.556  -9.757
  192    H    GLU  25           HN       GLU  25  -6.484  16.538  -7.888
  193    HA   GLU  25           HA       GLU  25  -6.394  14.846  -6.366
  194    HB2  GLU  25          3HB       GLU  25  -5.546  16.531  -4.787
  195    HB3  GLU  25          2HB       GLU  25  -7.195  16.940  -4.340
  196    HG2  GLU  25          3HG       GLU  25  -7.534  14.711  -3.454
  197    HG3  GLU  25          2HG       GLU  25  -5.909  14.248  -3.955
  198    H    ASP  26           HN       ASP  26  -8.023  13.635  -7.209
  199    HA   ASP  26           HA       ASP  26 -10.579  13.819  -5.754
  200    HB2  ASP  26          3HB       ASP  26 -11.629  12.571  -7.545
  201    HB3  ASP  26          2HB       ASP  26 -10.819  13.974  -8.217
  202    H    ASP  27           HN       ASP  27 -11.507  11.818  -5.042
  203    HA   ASP  27           HA       ASP  27  -9.368  10.171  -3.947
  204    HB2  ASP  27          3HB       ASP  27 -11.097  11.244  -2.470
  205    HB3  ASP  27          2HB       ASP  27 -12.285  10.153  -3.173
  206    H    ASP  28           HN       ASP  28 -11.199   9.998  -6.594
  207    HA   ASP  28           HA       ASP  28 -11.791   7.156  -6.490
  208    HB2  ASP  28          3HB       ASP  28 -12.044   9.107  -8.787
  209    HB3  ASP  28          2HB       ASP  28 -12.621   7.442  -8.790
  210    H    ASP  29           HN       ASP  29  -9.633   9.384  -7.963
  211    HA   ASP  29           HA       ASP  29  -7.585   9.222  -8.875
  212    HB2  ASP  29          3HB       ASP  29  -6.797   7.608  -7.349
  213    HB3  ASP  29          2HB       ASP  29  -7.816   6.343  -8.031
  214    H    GLY  30           HN       GLY  30  -7.178   9.358 -11.057
  215    HA2  GLY  30          2HA       GLY  30  -9.049   8.144 -12.877
  216    HA3  GLY  30          1HA       GLY  30  -7.765   9.267 -13.289
  217    H    SER  31           HN       SER  31  -6.330   6.950 -11.467
  218    HA   SER  31           HA       SER  31  -5.224   5.669 -13.820
  219    HB2  SER  31          3HB       SER  31  -4.504   5.023 -10.963
  220    HB3  SER  31          2HB       SER  31  -3.493   4.911 -12.404
  221    HG   SER  31           HG       SER  31  -4.225   7.162 -10.889
  222    H    ARG  32           HN       ARG  32  -8.021   5.179 -12.900
  223    HA   ARG  32           HA       ARG  32  -7.946   2.412 -11.982
  224    HB2  ARG  32          3HB       ARG  32 -10.298   4.232 -12.524
  225    HB3  ARG  32          2HB       ARG  32 -10.404   2.611 -11.857
  226    HG2  ARG  32          3HG       ARG  32  -9.110   5.004 -10.567
  227    HG3  ARG  32          2HG       ARG  32 -10.622   4.229 -10.098
  228    HD2  ARG  32          3HD       ARG  32  -9.447   2.218  -9.482
  229    HD3  ARG  32          2HD       ARG  32  -7.926   2.887 -10.070
  230    HE   ARG  32           HE       ARG  32  -8.839   4.667  -8.184
  231   HH11  ARG  32          1HH1      ARG  32  -8.005   1.267  -8.261
  232   HH12  ARG  32          2HH1      ARG  32  -7.460   1.228  -6.613
  233   HH21  ARG  32          1HH2      ARG  32  -8.108   4.623  -6.009
  234   HH22  ARG  32          2HH2      ARG  32  -7.538   3.129  -5.334
  235    H    GLY  33           HN       GLY  33  -7.339   1.132 -13.656
  236    HA2  GLY  33          2HA       GLY  33  -8.855   0.015 -15.477
  237    HA3  GLY  33          1HA       GLY  33  -8.565   1.553 -16.276
  238    H    GLY  34           HN       GLY  34  -6.390  -0.491 -14.341
  239    HA2  GLY  34          2HA       GLY  34  -4.868  -2.018 -15.525
  240    HA3  GLY  34          1HA       GLY  34  -4.738  -0.791 -16.773
  241    H    ASP  35           HN       ASP  35  -4.778   0.926 -14.009
  242    HA   ASP  35           HA       ASP  35  -1.877   0.675 -13.599
  243    HB2  ASP  35          3HB       ASP  35  -2.721   2.670 -15.058
  244    HB3  ASP  35          2HB       ASP  35  -3.239   3.362 -13.526
  245    H    CYS  36           HN       CYS  36  -1.242   1.935 -11.492
  246    HA   CYS  36           HA       CYS  36  -3.360   1.779  -9.489
  247    HB2  CYS  36          3HB       CYS  36  -0.749   0.274  -9.224
  248    HB3  CYS  36          2HB       CYS  36  -2.018   0.364  -8.009
  249    HG   CYS  36           HG       CYS  36  -3.673  -0.729 -10.429
  250    H    GLU  37           HN       GLU  37  -3.202   3.998  -9.169
  251    HA   GLU  37           HA       GLU  37  -0.810   4.846  -7.700
  252    HB2  GLU  37          3HB       GLU  37  -2.086   6.298 -10.001
  253    HB3  GLU  37          2HB       GLU  37  -1.132   7.142  -8.791
  254    HG2  GLU  37          3HG       GLU  37   0.717   5.472  -9.350
  255    HG3  GLU  37          2HG       GLU  37  -0.247   5.091 -10.780
  256    H    GLY  38           HN       GLY  38  -3.046   4.032  -6.410
  257    HA2  GLY  38          2HA       GLY  38  -4.794   6.295  -5.921
  258    HA3  GLY  38          1HA       GLY  38  -4.883   4.729  -5.126
  259    H    CYS  39           HN       CYS  39  -3.261   4.273  -3.457
  260    HA   CYS  39           HA       CYS  39  -3.071   6.467  -1.661
  261    HB2  CYS  39          3HB       CYS  39  -1.804   3.762  -1.366
  262    HB3  CYS  39          2HB       CYS  39  -2.444   4.810  -0.102
  263    H    SER  40           HN       SER  40  -0.437   4.188  -2.400
  264    HA   SER  40           HA       SER  40   1.702   4.354  -2.965
  265    HB2  SER  40          3HB       SER  40   2.323   5.995  -4.689
  266    HB3  SER  40          2HB       SER  40   0.824   5.148  -5.031
  267    HG   SER  40           HG       SER  40   0.608   7.355  -5.476
  268    H    GLY  41           HN       GLY  41   1.123   7.808  -2.728
  269    HA2  GLY  41          2HA       GLY  41   3.522   8.356  -1.277
  270    HA3  GLY  41          1HA       GLY  41   2.141   9.449  -1.313
  271    H    THR  42           HN       THR  42   0.771   6.738  -0.173
  272    HA   THR  42           HA       THR  42   1.046   7.669   2.573
  273    HB   THR  42           HB       THR  42  -0.723   5.997   3.086
  274    HG1  THR  42          1HG       THR  42  -0.823   4.433   1.667
  275   HG21  THR  42          1HG2      THR  42  -1.364   8.272   2.515
  276   HG22  THR  42          2HG2      THR  42  -2.538   7.127   1.867
  277   HG23  THR  42          3HG2      THR  42  -1.345   7.865   0.799
  278    H    ALA  43           HN       ALA  43   2.713   6.946   3.701
  279    HA   ALA  43           HA       ALA  43   3.996   4.423   3.029
  280    HB1  ALA  43          1HB       ALA  43   4.696   6.401   5.205
  281    HB2  ALA  43          2HB       ALA  43   5.309   6.465   3.554
  282    HB3  ALA  43          3HB       ALA  43   5.708   5.094   4.589
  283    H    CYS  44           HN       CYS  44   3.622   2.622   3.908
  284    HA   CYS  44           HA       CYS  44   2.589   2.447   6.659
  285    HB2  CYS  44          3HB       CYS  44   1.536   0.282   5.762
  286    HB3  CYS  44          2HB       CYS  44   0.753   1.815   5.381
  287    H    SER  45           HN       SER  45   3.906   1.416   7.958
  288    HA   SER  45           HA       SER  45   6.108  -0.120   6.855
  289    HB2  SER  45          3HB       SER  45   5.488   0.165   9.810
  290    HB3  SER  45          2HB       SER  45   7.034  -0.175   9.036
  291    HG   SER  45           HG       SER  45   6.368   2.065   7.984
  292    H    SER  46           HN       SER  46   2.960  -0.593   7.987
  293    HA   SER  46           HA       SER  46   3.431  -3.489   7.982
  294    HB2  SER  46          3HB       SER  46   2.423  -2.766  10.076
  295    HB3  SER  46          2HB       SER  46   1.166  -1.891   9.206
  296    HG   SER  46           HG       SER  46   1.569  -4.697   9.335
  297    H    ASP  47           HN       ASP  47   2.414  -4.663   6.465
  298    HA   ASP  47           HA       ASP  47   1.408  -3.527   4.141
  299    HB2  ASP  47          3HB       ASP  47   2.470  -5.756   4.289
  300    HB3  ASP  47          2HB       ASP  47   1.030  -6.367   5.095
  301    H    ALA  48           HN       ALA  48  -0.369  -4.716   6.985
  302    HA   ALA  48           HA       ALA  48  -2.855  -4.887   5.830
  303    HB1  ALA  48          1HB       ALA  48  -3.745  -4.746   8.089
  304    HB2  ALA  48          2HB       ALA  48  -2.193  -4.139   8.669
  305    HB3  ALA  48          3HB       ALA  48  -2.319  -5.782   8.040
  306    H    GLN  49           HN       GLN  49  -0.979  -2.122   6.478
  307    HA   GLN  49           HA       GLN  49  -3.167  -0.308   6.903
  308    HB2  GLN  49          3HB       GLN  49  -0.273   0.295   6.327
  309    HB3  GLN  49          2HB       GLN  49  -1.471   1.422   6.945
  310    HG2  GLN  49          3HG       GLN  49  -1.686   0.108   8.963
  311    HG3  GLN  49          2HG       GLN  49  -0.500  -1.047   8.349
  312   HE21  GLN  49          1HE2      GLN  49  -0.203   0.496  10.823
  313   HE22  GLN  49          2HE2      GLN  49   1.165   1.515  10.593
  314    H    CYS  50           HN       CYS  50  -1.305  -1.521   4.238
  315    HA   CYS  50           HA       CYS  50  -2.485   0.448   2.413
  316    HB2  CYS  50          3HB       CYS  50  -0.146  -0.432   1.993
  317    HB3  CYS  50          2HB       CYS  50  -0.885  -1.994   1.643
  318    H    ARG  51           HN       ARG  51  -2.685  -2.988   3.193
  319    HA   ARG  51           HA       ARG  51  -4.734  -3.781   1.509
  320    HB2  ARG  51          3HB       ARG  51  -4.303  -4.521   4.412
  321    HB3  ARG  51          2HB       ARG  51  -5.439  -5.333   3.350
  322    HG2  ARG  51          3HG       ARG  51  -2.446  -5.248   3.076
  323    HG3  ARG  51          2HG       ARG  51  -3.448  -6.635   3.500
  324    HD2  ARG  51          3HD       ARG  51  -3.594  -5.136   0.898
  325    HD3  ARG  51          2HD       ARG  51  -2.703  -6.636   1.145
  326    HE   ARG  51           HE       ARG  51  -5.289  -7.145   1.965
  327   HH11  ARG  51          1HH1      ARG  51  -3.713  -6.140  -0.989
  328   HH12  ARG  51          2HH1      ARG  51  -4.874  -6.907  -2.026
  329   HH21  ARG  51          1HH2      ARG  51  -6.815  -8.174   0.613
  330   HH22  ARG  51          2HH2      ARG  51  -6.644  -8.069  -1.109
  331    H    ALA  52           HN       ALA  52  -5.026  -2.250   4.690
  332    HA   ALA  52           HA       ALA  52  -7.878  -1.965   4.441
  333    HB1  ALA  52          1HB       ALA  52  -6.832  -2.332   6.626
  334    HB2  ALA  52          2HB       ALA  52  -7.757  -0.831   6.590
  335    HB3  ALA  52          3HB       ALA  52  -5.997  -0.787   6.484
  336    H    ARG  53           HN       ARG  53  -5.218  -0.294   3.249
  337    HA   ARG  53           HA       ARG  53  -6.511   2.298   3.219
  338    HB2  ARG  53          3HB       ARG  53  -3.996   1.951   3.262
  339    HB3  ARG  53          2HB       ARG  53  -4.128   1.478   1.575
  340    HG2  ARG  53          3HG       ARG  53  -3.458   3.767   1.688
  341    HG3  ARG  53          2HG       ARG  53  -5.106   3.689   1.071
  342    HD2  ARG  53          3HD       ARG  53  -5.956   4.252   3.306
  343    HD3  ARG  53          2HD       ARG  53  -4.300   4.349   3.904
  344    HE   ARG  53           HE       ARG  53  -4.680   6.049   1.659
  345   HH11  ARG  53          1HH1      ARG  53  -5.323   5.816   5.090
  346   HH12  ARG  53          2HH1      ARG  53  -5.417   7.532   5.316
  347   HH21  ARG  53          1HH2      ARG  53  -4.765   8.309   1.958
  348   HH22  ARG  53          2HH2      ARG  53  -5.076   8.952   3.541
  349    H    GLY  54           HN       GLY  54  -6.770  -0.558   1.517
  350    HA2  GLY  54          2HA       GLY  54  -8.414  -0.987  -0.096
  351    HA3  GLY  54          1HA       GLY  54  -8.543   0.740  -0.387
  352    H    CYS  55           HN       CYS  55  -5.333   0.079  -0.402
  353    HA   CYS  55           HA       CYS  55  -5.358   0.093  -3.314
  354    HB2  CYS  55          3HB       CYS  55  -3.265   0.865  -1.350
  355    HB3  CYS  55          2HB       CYS  55  -2.802   0.455  -3.004
  356    H    ASP  56           HN       ASP  56  -2.711  -1.571  -1.565
  357    HA   ASP  56           HA       ASP  56  -3.694  -4.113  -2.454
  358    HB2  ASP  56          3HB       ASP  56  -2.938  -3.415  -4.624
  359    HB3  ASP  56          2HB       ASP  56  -1.414  -2.821  -3.971
  360    H    GLY  57           HN       GLY  57  -0.500  -2.520  -1.935
  361    HA2  GLY  57          2HA       GLY  57  -0.220  -3.982   0.527
  362    HA3  GLY  57          1HA       GLY  57   0.750  -4.650  -0.774
  363    H    CYS  58           HN       CYS  58   1.767  -3.677   1.580
  364    HA   CYS  58           HA       CYS  58   2.983  -1.103   0.932
  365    HB2  CYS  58          3HB       CYS  58   3.136  -2.817   3.420
  366    HB3  CYS  58          2HB       CYS  58   3.791  -1.186   3.255
  367    H    SER  59           HN       SER  59   4.846  -1.127  -0.191
  368    HA   SER  59           HA       SER  59   6.064  -3.708  -0.654
  369    HB2  SER  59          3HB       SER  59   7.432  -2.421  -2.327
  370    HB3  SER  59          2HB       SER  59   5.688  -2.317  -2.574
  371    HG   SER  59           HG       SER  59   6.816  -0.279  -2.704
  372    H    THR  60           HN       THR  60   8.615  -3.570  -0.967
  373    HA   THR  60           HA       THR  60   9.874  -3.492   1.463
  374    HB   THR  60           HB       THR  60  11.968  -2.800  -0.040
  375    HG1  THR  60          1HG       THR  60  11.510  -2.697  -2.096
  376   HG21  THR  60          1HG2      THR  60  11.637  -4.976   1.017
  377   HG22  THR  60          2HG2      THR  60  12.191  -5.169  -0.646
  378   HG23  THR  60          3HG2      THR  60  10.494  -5.430  -0.246
  379    H    SER  61           HN       SER  61   9.072  -0.563  -0.385
  380    HA   SER  61           HA       SER  61  10.908   0.983   1.226
  381    HB2  SER  61          3HB       SER  61  10.018   2.880  -0.265
  382    HB3  SER  61          2HB       SER  61  11.010   1.637  -1.026
  383    HG   SER  61           HG       SER  61   8.935   2.264  -2.075
  384    H    GLY  62           HN       GLY  62   8.020  -0.239   1.802
  385    HA2  GLY  62          2HA       GLY  62   6.467   0.215   3.425
  386    HA3  GLY  62          1HA       GLY  62   7.491   1.547   3.934
  387    H    VAL  63           HN       VAL  63   5.866   1.016   0.837
  388    HA   VAL  63           HA       VAL  63   4.236   3.421   1.341
  389    HB   VAL  63           HB       VAL  63   4.396   3.930  -1.107
  390   HG11  VAL  63          1HG1      VAL  63   7.016   3.861   0.377
  391   HG12  VAL  63          2HG1      VAL  63   5.793   5.129   0.466
  392   HG13  VAL  63          3HG1      VAL  63   6.666   4.849  -1.041
  393   HG21  VAL  63          1HG2      VAL  63   6.108   2.897  -2.461
  394   HG22  VAL  63          2HG2      VAL  63   5.007   1.658  -1.857
  395   HG23  VAL  63          3HG2      VAL  63   6.594   1.866  -1.117
  396    H    CYS  64           HN       CYS  64   2.239   3.439  -0.173
  397    HA   CYS  64           HA       CYS  64   1.089   0.719  -0.030
  398    HB2  CYS  64          3HB       CYS  64  -0.053   2.680   1.155
  399    HB3  CYS  64          2HB       CYS  64  -0.351   3.352  -0.416
  400    H    VAL  65           HN       VAL  65   1.288  -0.301  -1.948
  401    HA   VAL  65           HA       VAL  65   0.672   1.171  -4.403
  402    HB   VAL  65           HB       VAL  65   2.779   0.495  -5.480
  403   HG11  VAL  65          1HG1      VAL  65   3.164   2.014  -2.931
  404   HG12  VAL  65          2HG1      VAL  65   2.672   2.677  -4.488
  405   HG13  VAL  65          3HG1      VAL  65   4.290   2.002  -4.287
  406   HG21  VAL  65          1HG2      VAL  65   4.630  -0.420  -4.190
  407   HG22  VAL  65          2HG2      VAL  65   3.240  -1.505  -4.132
  408   HG23  VAL  65          3HG2      VAL  65   3.614  -0.475  -2.748
  409    H    LEU  66           HN       LEU  66   0.900  -0.399  -6.329
  410    HA   LEU  66           HA       LEU  66  -0.022  -3.034  -5.775
  411    HB2  LEU  66          3HB       LEU  66  -0.371  -1.898  -7.942
  412    HB3  LEU  66          2HB       LEU  66   1.358  -1.936  -8.232
  413    HG   LEU  66           HG       LEU  66   1.235  -4.443  -8.168
  414   HD11  LEU  66          1HD1      LEU  66  -0.824  -4.682  -6.911
  415   HD12  LEU  66          2HD1      LEU  66  -0.962  -5.477  -8.479
  416   HD13  LEU  66          3HD1      LEU  66  -1.731  -3.912  -8.212
  417   HD21  LEU  66          1HD2      LEU  66   1.329  -3.226 -10.272
  418   HD22  LEU  66          2HD2      LEU  66  -0.425  -3.047 -10.260
  419   HD23  LEU  66          3HD2      LEU  66   0.296  -4.647 -10.415
  420    H    SER  67           HN       SER  67   1.387  -3.817  -4.202
  421    HA   SER  67           HA       SER  67   4.083  -3.789  -3.899
  422    HB2  SER  67          3HB       SER  67   2.630  -6.420  -3.666
  423    HB3  SER  67          2HB       SER  67   3.849  -5.722  -2.600
  424    HG   SER  67           HG       SER  67   1.119  -5.027  -2.872
  425    H    SER  68           HN       SER  68   5.621  -4.094  -5.658
  426    HA   SER  68           HA       SER  68   5.004  -6.202  -7.573
  427    HB2  SER  68          3HB       SER  68   7.049  -3.977  -7.711
  428    HB3  SER  68          2HB       SER  68   6.661  -5.107  -9.010
  429    HG   SER  68           HG       SER  68   4.550  -3.672  -7.859
  430    H    LEU  69           HN       LEU  69   5.565  -7.814  -5.942
  431    HA   LEU  69           HA       LEU  69   8.332  -8.598  -6.309
  432    HB2  LEU  69          3HB       LEU  69   8.733  -9.110  -3.970
  433    HB3  LEU  69          2HB       LEU  69   8.406  -7.404  -4.172
  434    HG   LEU  69           HG       LEU  69   6.255  -9.310  -3.272
  435   HD11  LEU  69          1HD1      LEU  69   8.239  -7.835  -1.547
  436   HD12  LEU  69          2HD1      LEU  69   8.122  -9.583  -1.740
  437   HD13  LEU  69          3HD1      LEU  69   6.812  -8.693  -0.967
  438   HD21  LEU  69          1HD2      LEU  69   6.673  -6.347  -2.891
  439   HD22  LEU  69          2HD2      LEU  69   5.315  -7.286  -2.272
  440   HD23  LEU  69          3HD2      LEU  69   5.536  -7.097  -4.011
  441    H    HIS  70           HN       HIS  70   6.362  -9.669  -7.660
  442    HA   HIS  70           HA       HIS  70   5.133 -11.883  -6.245
  443    HB2  HIS  70          3HB       HIS  70   4.989 -10.932  -9.104
  444    HB3  HIS  70          2HB       HIS  70   4.221 -12.422  -8.568
  445    HD1  HIS  70          1HD       HIS  70   1.795 -11.901  -8.552
  446    HD2  HIS  70          2HD       HIS  70   4.046  -8.860  -6.829
  447    HE1  HIS  70          1HE       HIS  70   0.129 -10.236  -7.679
  448    HE2  HIS  70          2HE       HIS  70   1.518  -8.324  -6.805
  449    H    HIS  71           HN       HIS  71   7.698 -12.302  -5.924
  450    HA   HIS  71           HA       HIS  71   8.234 -14.616  -7.655
  451    HB2  HIS  71          3HB       HIS  71  10.343 -12.633  -6.749
  452    HB3  HIS  71          2HB       HIS  71  10.637 -14.102  -7.668
  453    HD1  HIS  71          1HD       HIS  71   9.971 -14.082 -10.183
  454    HD2  HIS  71          2HD       HIS  71   9.433 -10.459  -8.223
  455    HE1  HIS  71          1HE       HIS  71   9.604 -12.378 -12.000
  456    HE2  HIS  71          2HE       HIS  71   9.150 -10.218 -10.782
  457    H    HIS  72           HN       HIS  72  10.799 -14.996  -6.113
  458    HA   HIS  72           HA       HIS  72   9.745 -16.444  -3.910
  459    HB2  HIS  72          3HB       HIS  72  12.564 -15.631  -4.625
  460    HB3  HIS  72          2HB       HIS  72  12.183 -16.582  -3.194
  461    HD1  HIS  72          1HD       HIS  72  11.335 -19.030  -3.591
  462    HD2  HIS  72          2HD       HIS  72  12.513 -17.012  -7.026
  463    HE1  HIS  72          1HE       HIS  72  11.562 -20.792  -5.366
  464    HE2  HIS  72          2HE       HIS  72  12.097 -19.521  -7.473
  465    H    HIS  73           HN       HIS  73   9.360 -15.825  -1.864
  466    HA   HIS  73           HA       HIS  73   9.759 -12.990  -1.259
  467    HB2  HIS  73          3HB       HIS  73   8.043 -15.110   0.043
  468    HB3  HIS  73          2HB       HIS  73   8.223 -13.482   0.684
  469    HD1  HIS  73          1HD       HIS  73   6.805 -11.666  -0.343
  470    HD2  HIS  73          2HD       HIS  73   6.657 -15.237  -2.464
  471    HE1  HIS  73          1HE       HIS  73   4.974 -11.369  -2.041
  472    HE2  HIS  73          2HE       HIS  73   4.772 -13.614  -3.170
  473    H    HIS  74           HN       HIS  74  11.521 -12.449  -0.156
  474    HA   HIS  74           HA       HIS  74  12.889 -14.378   1.504
  475    HB2  HIS  74          3HB       HIS  74  14.023 -12.549   0.116
  476    HB3  HIS  74          2HB       HIS  74  13.479 -11.420   1.352
  477    HD1  HIS  74          1HD       HIS  74  16.033 -14.008   0.649
  478    HD2  HIS  74          2HD       HIS  74  14.754 -11.735   3.885
  479    HE1  HIS  74          1HE       HIS  74  17.823 -14.246   2.392
  480    HE2  HIS  74          2HE       HIS  74  17.098 -12.752   4.280
  481    H    HIS  75           HN       HIS  75  10.561 -11.880   1.831
  482    HA   HIS  75           HA       HIS  75  10.565 -12.256   4.751
  483    HB2  HIS  75          3HB       HIS  75  10.981  -9.918   4.041
  484    HB3  HIS  75          2HB       HIS  75   9.471  -9.931   3.143
  485    HD1  HIS  75          1HD       HIS  75   7.325  -9.557   4.442
  486    HD2  HIS  75          2HD       HIS  75  10.692  -9.803   6.863
  487    HE1  HIS  75          1HE       HIS  75   6.583  -8.769   6.713
  488    HE2  HIS  75          2HE       HIS  75   8.649  -8.866   8.150
  Start of MODEL   12
    1    H1   MET   1          1HT       MET   1   3.204  14.061   3.042
    2    H2   MET   1          2HT       MET   1   4.744  14.753   3.009
    3    H3   MET   1          3HT       MET   1   3.810  14.705   1.598
    4    HA   MET   1           HA       MET   1   2.203  16.188   2.553
    5    HB2  MET   1          3HB       MET   1   2.762  17.304   4.726
    6    HB3  MET   1          2HB       MET   1   2.338  15.603   4.868
    7    HG2  MET   1          3HG       MET   1   4.711  15.030   5.019
    8    HG3  MET   1          2HG       MET   1   5.125  16.740   4.901
    9    HE1  MET   1          1HE       MET   1   6.013  14.674   7.271
   10    HE2  MET   1          2HE       MET   1   5.897  15.773   8.646
   11    HE3  MET   1          3HE       MET   1   6.577  16.338   7.120
   12    H    CYS   2           HN       CYS   2   4.706  16.060   0.969
   13    HA   CYS   2           HA       CYS   2   4.969  18.897   0.580
   14    HB2  CYS   2          3HB       CYS   2   7.467  18.856   0.704
   15    HB3  CYS   2          2HB       CYS   2   6.692  18.634   2.267
   16    HG   CYS   2           HG       CYS   2   9.031  16.864   1.035
   17    H    GLU   3           HN       GLU   3   3.747  17.249  -0.995
   18    HA   GLU   3           HA       GLU   3   5.381  15.559  -2.587
   19    HB2  GLU   3          3HB       GLU   3   2.572  16.407  -3.255
   20    HB3  GLU   3          2HB       GLU   3   3.387  14.915  -3.696
   21    HG2  GLU   3          3HG       GLU   3   2.344  15.729  -0.999
   22    HG3  GLU   3          2HG       GLU   3   1.839  14.372  -2.000
   23    H    PHE   4           HN       PHE   4   6.884  16.609  -3.710
   24    HA   PHE   4           HA       PHE   4   6.301  18.893  -5.385
   25    HB2  PHE   4          3HB       PHE   4   8.662  18.415  -6.236
   26    HB3  PHE   4          2HB       PHE   4   8.510  18.803  -4.526
   27    HD1  PHE   4          1HD       PHE   4   9.188  16.140  -6.958
   28    HD2  PHE   4          2HD       PHE   4   8.973  17.170  -2.836
   29    HE1  PHE   4          1HE       PHE   4  10.361  14.059  -6.379
   30    HE2  PHE   4          2HE       PHE   4  10.144  15.089  -2.250
   31    HZ   PHE   4           HZ       PHE   4  10.841  13.530  -4.024
   32    H    ILE   5           HN       ILE   5   5.716  15.633  -5.646
   33    HA   ILE   5           HA       ILE   5   6.061  15.273  -8.459
   34    HB   ILE   5           HB       ILE   5   5.630  13.453  -6.580
   35   HG12  ILE   5          3HG1      ILE   5   4.428  13.136  -9.330
   36   HG13  ILE   5          2HG1      ILE   5   6.154  13.073  -8.985
   37   HG21  ILE   5          1HG2      ILE   5   3.303  12.556  -6.746
   38   HG22  ILE   5          2HG2      ILE   5   2.834  14.057  -7.546
   39   HG23  ILE   5          3HG2      ILE   5   3.411  14.087  -5.882
   40   HD11  ILE   5          1HD1      ILE   5   5.392  10.847  -9.134
   41   HD12  ILE   5          2HD1      ILE   5   4.024  11.169  -8.073
   42   HD13  ILE   5          3HD1      ILE   5   5.664  11.173  -7.424
   43    H    GLU   6           HN       GLU   6   4.162  17.477  -7.023
   44    HA   GLU   6           HA       GLU   6   1.782  16.989  -8.645
   45    HB2  GLU   6          3HB       GLU   6   2.264  18.875  -6.345
   46    HB3  GLU   6          2HB       GLU   6   0.790  18.830  -7.296
   47    HG2  GLU   6          3HG       GLU   6   1.890  16.607  -5.598
   48    HG3  GLU   6          2HG       GLU   6   0.483  17.610  -5.245
   49    H    ASP   7           HN       ASP   7   3.280  17.605 -10.475
   50    HA   ASP   7           HA       ASP   7   3.665  20.463 -10.793
   51    HB2  ASP   7          3HB       ASP   7   4.800  19.973 -12.826
   52    HB3  ASP   7          2HB       ASP   7   5.301  18.734 -11.681
   53    H    SER   8           HN       SER   8   1.385  18.034 -11.559
   54    HA   SER   8           HA       SER   8   0.009  19.431 -13.626
   55    HB2  SER   8          3HB       SER   8  -0.984  17.245 -11.777
   56    HB3  SER   8          2HB       SER   8  -1.764  17.766 -13.270
   57    HG   SER   8           HG       SER   8   0.476  16.179 -12.890
   58    H    GLU   9           HN       GLU   9  -0.091  19.416 -10.147
   59    HA   GLU   9           HA       GLU   9  -2.456  21.105 -10.070
   60    HB2  GLU   9          3HB       GLU   9  -2.166  19.334  -8.375
   61    HB3  GLU   9          2HB       GLU   9  -0.690  20.110  -7.826
   62    HG2  GLU   9          3HG       GLU   9  -1.955  22.062  -7.132
   63    HG3  GLU   9          2HG       GLU   9  -3.440  21.324  -7.730
   64    H    ASP  10           HN       ASP  10   0.896  21.286  -8.862
   65    HA   ASP  10           HA       ASP  10   0.656  24.139  -8.491
   66    HB2  ASP  10          3HB       ASP  10   3.003  22.266  -8.106
   67    HB3  ASP  10          2HB       ASP  10   3.019  23.980  -7.706
   68    H    ILE  11           HN       ILE  11   0.340  24.932 -10.546
   69    HA   ILE  11           HA       ILE  11   2.129  24.305 -12.717
   70    HB   ILE  11           HB       ILE  11   0.118  26.560 -12.645
   71   HG12  ILE  11          3HG1      ILE  11  -0.987  24.460 -11.971
   72   HG13  ILE  11          2HG1      ILE  11  -1.532  24.998 -13.556
   73   HG21  ILE  11          1HG2      ILE  11   1.700  26.557 -14.521
   74   HG22  ILE  11          2HG2      ILE  11   0.051  26.232 -15.062
   75   HG23  ILE  11          3HG2      ILE  11   1.210  24.911 -14.925
   76   HD11  ILE  11          1HD1      ILE  11   0.487  22.830 -13.029
   77   HD12  ILE  11          2HD1      ILE  11  -0.068  23.363 -14.616
   78   HD13  ILE  11          3HD1      ILE  11  -1.196  22.596 -13.498
   79    H    GLN  12           HN       GLN  12   2.612  26.032 -10.046
   80    HA   GLN  12           HA       GLN  12   3.797  28.410 -11.174
   81    HB2  GLN  12          3HB       GLN  12   4.006  27.275  -8.393
   82    HB3  GLN  12          2HB       GLN  12   4.584  28.856  -8.882
   83    HG2  GLN  12          3HG       GLN  12   1.739  27.918  -8.635
   84    HG3  GLN  12          2HG       GLN  12   2.547  29.214  -7.766
   85   HE21  GLN  12          1HE2      GLN  12   0.925  28.292 -10.665
   86   HE22  GLN  12          2HE2      GLN  12   0.815  29.874 -11.359
   87    H    GLY  13           HN       GLY  13   4.752  25.188 -10.716
   88    HA2  GLY  13          2HA       GLY  13   7.516  25.915 -11.336
   89    HA3  GLY  13          1HA       GLY  13   7.226  24.944  -9.902
   90    H    LEU  14           HN       LEU  14   6.502  24.999 -13.382
   91    HA   LEU  14           HA       LEU  14   6.360  22.132 -13.557
   92    HB2  LEU  14          3HB       LEU  14   6.749  24.187 -15.738
   93    HB3  LEU  14          2HB       LEU  14   6.477  22.481 -16.017
   94    HG   LEU  14           HG       LEU  14   4.393  23.380 -16.396
   95   HD11  LEU  14          1HD1      LEU  14   4.334  22.731 -13.458
   96   HD12  LEU  14          2HD1      LEU  14   4.223  21.570 -14.782
   97   HD13  LEU  14          3HD1      LEU  14   2.946  22.764 -14.545
   98   HD21  LEU  14          1HD2      LEU  14   3.354  25.135 -15.044
   99   HD22  LEU  14          2HD2      LEU  14   4.884  25.653 -15.746
  100   HD23  LEU  14          3HD2      LEU  14   4.803  25.209 -14.042
  101    H    LYS  15           HN       LYS  15   8.561  22.487 -12.184
  102    HA   LYS  15           HA       LYS  15  10.888  22.646 -13.926
  103    HB2  LYS  15          3HB       LYS  15  12.133  22.484 -11.733
  104    HB3  LYS  15          2HB       LYS  15  11.083  23.885 -11.905
  105    HG2  LYS  15          3HG       LYS  15   9.331  22.536 -10.661
  106    HG3  LYS  15          2HG       LYS  15  10.631  21.411 -10.267
  107    HD2  LYS  15          3HD       LYS  15  11.839  23.112  -9.097
  108    HD3  LYS  15          2HD       LYS  15  10.729  24.363  -9.662
  109    HE2  LYS  15          3HE       LYS  15   8.902  23.232  -8.428
  110    HE3  LYS  15          2HE       LYS  15  10.080  22.086  -7.794
  111    HZ1  LYS  15          1HZ       LYS  15  11.220  23.888  -6.699
  112    HZ2  LYS  15          2HZ       LYS  15   9.592  23.891  -6.240
  113    HZ3  LYS  15          3HZ       LYS  15  10.156  25.023  -7.362
  114    H    SER  16           HN       SER  16   8.839  20.308 -13.495
  115    HA   SER  16           HA       SER  16  10.660  18.162 -12.786
  116    HB2  SER  16          3HB       SER  16   8.611  16.741 -13.140
  117    HB3  SER  16          2HB       SER  16   8.430  17.985 -11.903
  118    HG   SER  16           HG       SER  16   6.856  17.603 -13.907
  119    H    LEU  17           HN       LEU  17  10.233  19.932 -15.455
  120    HA   LEU  17           HA       LEU  17  10.095  17.816 -17.416
  121    HB2  LEU  17          3HB       LEU  17   9.130  20.145 -17.714
  122    HB3  LEU  17          2HB       LEU  17  10.775  20.719 -17.875
  123    HG   LEU  17           HG       LEU  17   9.757  18.573 -19.707
  124   HD11  LEU  17          1HD1      LEU  17   9.074  20.333 -21.285
  125   HD12  LEU  17          2HD1      LEU  17   9.346  21.543 -20.031
  126   HD13  LEU  17          3HD1      LEU  17   8.087  20.326 -19.824
  127   HD21  LEU  17          1HD2      LEU  17  11.782  20.786 -20.037
  128   HD22  LEU  17          2HD2      LEU  17  11.383  19.561 -21.241
  129   HD23  LEU  17          3HD2      LEU  17  12.149  19.090 -19.723
  130    H    ARG  18           HN       ARG  18  12.448  19.816 -15.882
  131    HA   ARG  18           HA       ARG  18  14.645  18.828 -17.452
  132    HB2  ARG  18          3HB       ARG  18  16.075  20.149 -16.069
  133    HB3  ARG  18          2HB       ARG  18  14.651  21.113 -16.400
  134    HG2  ARG  18          3HG       ARG  18  13.789  20.621 -14.164
  135    HG3  ARG  18          2HG       ARG  18  15.202  19.616 -13.842
  136    HD2  ARG  18          3HD       ARG  18  15.278  22.559 -14.499
  137    HD3  ARG  18          2HD       ARG  18  15.374  21.886 -12.872
  138    HE   ARG  18           HE       ARG  18  17.388  20.634 -14.190
  139   HH11  ARG  18          1HH1      ARG  18  16.521  24.000 -13.751
  140   HH12  ARG  18          2HH1      ARG  18  18.162  24.562 -13.834
  141   HH21  ARG  18          1HH2      ARG  18  19.543  21.373 -14.308
  142   HH22  ARG  18          2HH2      ARG  18  19.879  23.069 -14.154
  143    H    LYS  19           HN       LYS  19  16.229  17.402 -16.742
  144    HA   LYS  19           HA       LYS  19  17.021  15.494 -15.791
  145    HB2  LYS  19          3HB       LYS  19  17.114  16.939 -13.751
  146    HB3  LYS  19          2HB       LYS  19  15.498  16.395 -13.330
  147    HG2  LYS  19          3HG       LYS  19  16.380  14.067 -13.230
  148    HG3  LYS  19          2HG       LYS  19  17.998  14.728 -13.471
  149    HD2  LYS  19          3HD       LYS  19  17.797  16.032 -11.433
  150    HD3  LYS  19          2HD       LYS  19  16.140  15.466 -11.210
  151    HE2  LYS  19          3HE       LYS  19  16.968  13.164 -11.009
  152    HE3  LYS  19          2HE       LYS  19  18.620  13.749 -11.204
  153    HZ1  LYS  19          1HZ       LYS  19  18.384  15.023  -9.179
  154    HZ2  LYS  19          2HZ       LYS  19  18.044  13.397  -8.879
  155    HZ3  LYS  19          3HZ       LYS  19  16.781  14.513  -9.001
  156    H    SER  20           HN       SER  20  14.994  15.092 -17.438
  157    HA   SER  20           HA       SER  20  13.360  13.053 -16.089
  158    HB2  SER  20          3HB       SER  20  12.115  15.254 -16.565
  159    HB3  SER  20          2HB       SER  20  12.243  14.826 -18.270
  160    HG   SER  20           HG       SER  20  10.768  13.319 -18.016
  161    H    HIS  21           HN       HIS  21  14.341  14.346 -19.288
  162    HA   HIS  21           HA       HIS  21  14.079  11.690 -20.430
  163    HB2  HIS  21          3HB       HIS  21  14.761  14.372 -21.624
  164    HB3  HIS  21          2HB       HIS  21  14.817  12.877 -22.550
  165    HD1  HIS  21          1HD       HIS  21  12.601  15.573 -21.792
  166    HD2  HIS  21          2HD       HIS  21  12.150  11.481 -22.373
  167    HE1  HIS  21          1HE       HIS  21  10.165  15.224 -22.311
  168    HE2  HIS  21          2HE       HIS  21   9.888  12.730 -22.484
  169    H    THR  22           HN       THR  22  16.272  12.978 -18.522
  170    HA   THR  22           HA       THR  22  18.783  12.803 -19.770
  171    HB   THR  22           HB       THR  22  19.399  11.940 -17.271
  172    HG1  THR  22          1HG       THR  22  17.535  11.866 -16.226
  173   HG21  THR  22          1HG2      THR  22  20.217  13.988 -18.319
  174   HG22  THR  22          2HG2      THR  22  19.661  14.305 -16.676
  175   HG23  THR  22          3HG2      THR  22  18.660  14.769 -18.050
  176    H    SER  23           HN       SER  23  17.450  10.098 -17.701
  177    HA   SER  23           HA       SER  23  18.851   8.297 -19.561
  178    HB2  SER  23          3HB       SER  23  18.231   7.863 -16.628
  179    HB3  SER  23          2HB       SER  23  19.041   6.707 -17.686
  180    HG   SER  23           HG       SER  23  20.100   8.741 -16.325
  181    H    LEU  24           HN       LEU  24  16.080   9.483 -19.410
  182    HA   LEU  24           HA       LEU  24  14.013   8.904 -20.204
  183    HB2  LEU  24          3HB       LEU  24  15.189   6.139 -20.471
  184    HB3  LEU  24          2HB       LEU  24  13.623   6.633 -21.086
  185    HG   LEU  24           HG       LEU  24  16.302   7.691 -21.993
  186   HD11  LEU  24          1HD1      LEU  24  15.749   6.583 -24.098
  187   HD12  LEU  24          2HD1      LEU  24  14.274   5.942 -23.374
  188   HD13  LEU  24          3HD1      LEU  24  15.848   5.432 -22.766
  189   HD21  LEU  24          1HD2      LEU  24  13.516   8.369 -22.923
  190   HD22  LEU  24          2HD2      LEU  24  15.004   8.872 -23.719
  191   HD23  LEU  24          3HD2      LEU  24  14.636   9.447 -22.093
  192    H    GLU  25           HN       GLU  25  15.314   6.523 -17.927
  193    HA   GLU  25           HA       GLU  25  12.864   5.707 -16.824
  194    HB2  GLU  25          3HB       GLU  25  15.012   4.525 -16.494
  195    HB3  GLU  25          2HB       GLU  25  15.575   5.855 -15.492
  196    HG2  GLU  25          3HG       GLU  25  13.724   5.404 -13.924
  197    HG3  GLU  25          2HG       GLU  25  13.279   4.008 -14.902
  198    H    ASP  26           HN       ASP  26  14.751   8.543 -16.388
  199    HA   ASP  26           HA       ASP  26  13.796   9.374 -13.870
  200    HB2  ASP  26          3HB       ASP  26  14.838  11.018 -16.173
  201    HB3  ASP  26          2HB       ASP  26  14.603  11.610 -14.540
  202    H    ASP  27           HN       ASP  27  12.580   9.536 -17.021
  203    HA   ASP  27           HA       ASP  27  10.710  11.631 -16.647
  204    HB2  ASP  27          3HB       ASP  27  11.626  10.975 -18.870
  205    HB3  ASP  27          2HB       ASP  27  10.693   9.488 -18.772
  206    H    ASP  28           HN       ASP  28  10.723   8.330 -15.941
  207    HA   ASP  28           HA       ASP  28   7.937   7.832 -15.914
  208    HB2  ASP  28          3HB       ASP  28  10.219   6.481 -14.478
  209    HB3  ASP  28          2HB       ASP  28   8.553   5.939 -14.331
  210    H    ASP  29           HN       ASP  29  10.108   9.331 -13.751
  211    HA   ASP  29           HA       ASP  29   8.400   9.266 -11.447
  212    HB2  ASP  29          3HB       ASP  29  10.825   9.402 -11.183
  213    HB3  ASP  29          2HB       ASP  29  10.859  10.931 -12.051
  214    H    GLY  30           HN       GLY  30   8.882  11.362 -14.180
  215    HA2  GLY  30          2HA       GLY  30   7.311  13.507 -12.998
  216    HA3  GLY  30          1HA       GLY  30   8.081  13.526 -14.574
  217    H    SER  31           HN       SER  31   6.735  10.760 -15.006
  218    HA   SER  31           HA       SER  31   4.481  11.887 -16.392
  219    HB2  SER  31          3HB       SER  31   5.407   9.013 -16.191
  220    HB3  SER  31          2HB       SER  31   4.210   9.636 -17.327
  221    HG   SER  31           HG       SER  31   6.592  11.014 -17.335
  222    H    ARG  32           HN       ARG  32   4.452  11.776 -13.418
  223    HA   ARG  32           HA       ARG  32   1.770  10.795 -13.146
  224    HB2  ARG  32          3HB       ARG  32   2.293   9.388 -11.138
  225    HB3  ARG  32          2HB       ARG  32   2.831   8.716 -12.668
  226    HG2  ARG  32          3HG       ARG  32   5.118   9.598 -12.148
  227    HG3  ARG  32          2HG       ARG  32   4.511  10.018 -10.547
  228    HD2  ARG  32          3HD       ARG  32   5.658   7.856 -10.538
  229    HD3  ARG  32          2HD       ARG  32   3.950   7.686 -10.131
  230    HE   ARG  32           HE       ARG  32   3.678   7.044 -12.563
  231   HH11  ARG  32          1HH1      ARG  32   6.617   6.419 -10.770
  232   HH12  ARG  32          2HH1      ARG  32   7.108   5.103 -11.786
  233   HH21  ARG  32          1HH2      ARG  32   4.305   5.304 -13.884
  234   HH22  ARG  32          2HH2      ARG  32   5.794   4.473 -13.567
  235    H    GLY  33           HN       GLY  33   1.198  11.045 -10.641
  236    HA2  GLY  33          2HA       GLY  33   1.614  12.825  -8.912
  237    HA3  GLY  33          1HA       GLY  33   1.829  13.902 -10.288
  238    H    GLY  34           HN       GLY  34  -0.144  14.019  -8.149
  239    HA2  GLY  34          2HA       GLY  34  -2.402  14.465  -7.927
  240    HA3  GLY  34          1HA       GLY  34  -2.561  14.273  -9.668
  241    H    ASP  35           HN       ASP  35  -1.013  11.708  -8.123
  242    HA   ASP  35           HA       ASP  35  -3.433  10.061  -8.400
  243    HB2  ASP  35          3HB       ASP  35  -1.983   8.188  -8.925
  244    HB3  ASP  35          2HB       ASP  35  -1.582   9.534  -9.985
  245    H    CYS  36           HN       CYS  36  -1.323  11.368  -6.169
  246    HA   CYS  36           HA       CYS  36  -1.146   9.177  -4.340
  247    HB2  CYS  36          3HB       CYS  36  -0.793  12.130  -3.766
  248    HB3  CYS  36          2HB       CYS  36  -0.259  10.793  -2.760
  249    HG   CYS  36           HG       CYS  36   1.090  10.210  -5.612
  250    H    GLU  37           HN       GLU  37  -3.174   8.388  -3.985
  251    HA   GLU  37           HA       GLU  37  -5.052  10.176  -2.597
  252    HB2  GLU  37          3HB       GLU  37  -5.774   7.898  -4.458
  253    HB3  GLU  37          2HB       GLU  37  -6.890   9.016  -3.686
  254    HG2  GLU  37          3HG       GLU  37  -6.044  10.846  -4.996
  255    HG3  GLU  37          2HG       GLU  37  -4.790   9.821  -5.690
  256    H    GLY  38           HN       GLY  38  -3.063   8.596  -1.334
  257    HA2  GLY  38          2HA       GLY  38  -3.421   7.412   0.754
  258    HA3  GLY  38          1HA       GLY  38  -4.785   6.618  -0.013
  259    H    CYS  39           HN       CYS  39  -3.262   6.068  -2.471
  260    HA   CYS  39           HA       CYS  39  -1.806   3.730  -1.443
  261    HB2  CYS  39          3HB       CYS  39  -3.123   3.916  -4.144
  262    HB3  CYS  39          2HB       CYS  39  -2.655   2.473  -3.253
  263    H    SER  40           HN       SER  40  -0.339   6.125  -1.845
  264    HA   SER  40           HA       SER  40   1.755   5.405  -3.465
  265    HB2  SER  40          3HB       SER  40   1.427   6.980  -5.410
  266    HB3  SER  40          2HB       SER  40   0.405   5.552  -5.393
  267    HG   SER  40           HG       SER  40  -0.563   7.739  -5.851
  268    H    GLY  41           HN       GLY  41   3.435   6.665  -3.026
  269    HA2  GLY  41          2HA       GLY  41   4.619   8.550  -2.112
  270    HA3  GLY  41          1HA       GLY  41   3.101   9.443  -2.199
  271    H    THR  42           HN       THR  42   1.692   7.261  -0.760
  272    HA   THR  42           HA       THR  42   2.069   8.274   1.891
  273    HB   THR  42           HB       THR  42   0.455   6.143   2.259
  274    HG1  THR  42          1HG       THR  42  -0.727   5.771   0.389
  275   HG21  THR  42          1HG2      THR  42  -0.131   8.459   2.761
  276   HG22  THR  42          2HG2      THR  42  -1.436   7.673   1.873
  277   HG23  THR  42          3HG2      THR  42  -0.354   8.789   1.044
  278    H    ALA  43           HN       ALA  43   2.500   6.940   3.774
  279    HA   ALA  43           HA       ALA  43   4.394   4.758   3.172
  280    HB1  ALA  43          1HB       ALA  43   5.822   5.546   4.971
  281    HB2  ALA  43          2HB       ALA  43   4.699   6.859   5.325
  282    HB3  ALA  43          3HB       ALA  43   5.572   6.835   3.793
  283    H    CYS  44           HN       CYS  44   3.688   2.979   3.871
  284    HA   CYS  44           HA       CYS  44   2.396   2.794   6.506
  285    HB2  CYS  44          3HB       CYS  44   1.473   0.615   5.501
  286    HB3  CYS  44          2HB       CYS  44   0.741   2.138   5.003
  287    H    SER  45           HN       SER  45   3.468   1.701   7.982
  288    HA   SER  45           HA       SER  45   5.949   0.416   7.210
  289    HB2  SER  45          3HB       SER  45   4.824   0.408  10.019
  290    HB3  SER  45          2HB       SER  45   6.507   0.359   9.499
  291    HG   SER  45           HG       SER  45   5.658   2.564   8.492
  292    H    SER  46           HN       SER  46   2.710  -0.420   7.890
  293    HA   SER  46           HA       SER  46   3.480  -3.233   7.691
  294    HB2  SER  46          3HB       SER  46   2.314  -2.744   9.807
  295    HB3  SER  46          2HB       SER  46   0.955  -2.084   8.903
  296    HG   SER  46           HG       SER  46   1.095  -4.474   9.678
  297    H    ASP  47           HN       ASP  47   2.747  -4.311   5.989
  298    HA   ASP  47           HA       ASP  47   1.482  -3.195   3.799
  299    HB2  ASP  47          3HB       ASP  47   2.874  -5.177   3.659
  300    HB3  ASP  47          2HB       ASP  47   1.732  -6.084   4.644
  301    H    ALA  48           HN       ALA  48   0.048  -4.820   6.612
  302    HA   ALA  48           HA       ALA  48  -2.404  -5.394   5.529
  303    HB1  ALA  48          1HB       ALA  48  -1.619  -6.308   7.648
  304    HB2  ALA  48          2HB       ALA  48  -3.204  -5.553   7.826
  305    HB3  ALA  48          3HB       ALA  48  -1.758  -4.714   8.387
  306    H    GLN  49           HN       GLN  49  -1.061  -2.363   6.287
  307    HA   GLN  49           HA       GLN  49  -3.475  -1.023   7.012
  308    HB2  GLN  49          3HB       GLN  49  -0.893   0.210   6.042
  309    HB3  GLN  49          2HB       GLN  49  -2.179   1.012   6.929
  310    HG2  GLN  49          3HG       GLN  49  -1.729  -0.495   8.840
  311    HG3  GLN  49          2HG       GLN  49  -0.361  -1.147   7.946
  312   HE21  GLN  49          1HE2      GLN  49  -1.398   2.214   8.016
  313   HE22  GLN  49          2HE2      GLN  49   0.006   2.820   8.829
  314    H    CYS  50           HN       CYS  50  -1.500  -1.315   4.071
  315    HA   CYS  50           HA       CYS  50  -3.419   0.281   2.604
  316    HB2  CYS  50          3HB       CYS  50  -0.906  -1.143   1.785
  317    HB3  CYS  50          2HB       CYS  50  -1.990  -0.426   0.602
  318    H    ARG  51           HN       ARG  51  -2.603  -3.112   3.010
  319    HA   ARG  51           HA       ARG  51  -4.431  -4.233   1.259
  320    HB2  ARG  51          3HB       ARG  51  -3.544  -5.073   4.004
  321    HB3  ARG  51          2HB       ARG  51  -4.719  -6.009   3.100
  322    HG2  ARG  51          3HG       ARG  51  -1.845  -5.492   2.469
  323    HG3  ARG  51          2HG       ARG  51  -2.686  -7.035   2.644
  324    HD2  ARG  51          3HD       ARG  51  -3.012  -5.032   0.424
  325    HD3  ARG  51          2HD       ARG  51  -2.248  -6.616   0.314
  326    HE   ARG  51           HE       ARG  51  -4.872  -6.979   1.207
  327   HH11  ARG  51          1HH1      ARG  51  -3.162  -5.949  -1.665
  328   HH12  ARG  51          2HH1      ARG  51  -4.450  -6.390  -2.745
  329   HH21  ARG  51          1HH2      ARG  51  -6.572  -7.543  -0.192
  330   HH22  ARG  51          2HH2      ARG  51  -6.403  -7.288  -1.900
  331    H    ALA  52           HN       ALA  52  -5.053  -3.328   4.654
  332    HA   ALA  52           HA       ALA  52  -7.845  -3.759   4.479
  333    HB1  ALA  52          1HB       ALA  52  -7.994  -2.606   6.604
  334    HB2  ALA  52          2HB       ALA  52  -6.357  -1.978   6.403
  335    HB3  ALA  52          3HB       ALA  52  -6.619  -3.709   6.609
  336    H    ARG  53           HN       ARG  53  -5.812  -1.174   3.469
  337    HA   ARG  53           HA       ARG  53  -7.884   0.824   3.523
  338    HB2  ARG  53          3HB       ARG  53  -5.540   1.482   3.738
  339    HB3  ARG  53          2HB       ARG  53  -5.206   0.850   2.134
  340    HG2  ARG  53          3HG       ARG  53  -5.389   3.273   2.113
  341    HG3  ARG  53          2HG       ARG  53  -6.659   2.528   1.145
  342    HD2  ARG  53          3HD       ARG  53  -8.156   2.755   3.170
  343    HD3  ARG  53          2HD       ARG  53  -6.893   3.760   3.880
  344    HE   ARG  53           HE       ARG  53  -7.328   4.894   1.450
  345   HH11  ARG  53          1HH1      ARG  53  -9.370   4.098   4.173
  346   HH12  ARG  53          2HH1      ARG  53 -10.545   5.319   3.813
  347   HH21  ARG  53          1HH2      ARG  53  -8.861   6.512   0.974
  348   HH22  ARG  53          2HH2      ARG  53 -10.254   6.704   1.994
  349    H    GLY  54           HN       GLY  54  -7.181  -1.749   1.463
  350    HA2  GLY  54          2HA       GLY  54  -8.282  -2.360  -0.506
  351    HA3  GLY  54          1HA       GLY  54  -9.071  -0.789  -0.513
  352    H    CYS  55           HN       CYS  55  -5.760  -0.592  -0.033
  353    HA   CYS  55           HA       CYS  55  -5.368   0.582  -2.625
  354    HB2  CYS  55          3HB       CYS  55  -3.584   0.314  -0.217
  355    HB3  CYS  55          2HB       CYS  55  -2.981   0.930  -1.759
  356    H    ASP  56           HN       ASP  56  -2.803  -1.556  -1.369
  357    HA   ASP  56           HA       ASP  56  -3.587  -3.833  -2.773
  358    HB2  ASP  56          3HB       ASP  56  -3.083  -2.498  -4.789
  359    HB3  ASP  56          2HB       ASP  56  -1.456  -2.206  -4.189
  360    H    GLY  57           HN       GLY  57  -0.502  -2.006  -2.087
  361    HA2  GLY  57          2HA       GLY  57  -0.077  -3.781   0.128
  362    HA3  GLY  57          1HA       GLY  57   0.947  -4.176  -1.240
  363    H    CYS  58           HN       CYS  58   2.036  -3.525   1.108
  364    HA   CYS  58           HA       CYS  58   3.100  -0.826   0.661
  365    HB2  CYS  58          3HB       CYS  58   3.136  -2.544   3.165
  366    HB3  CYS  58          2HB       CYS  58   3.870  -0.947   3.014
  367    H    SER  59           HN       SER  59   5.111  -0.683  -0.110
  368    HA   SER  59           HA       SER  59   6.307  -3.206  -0.861
  369    HB2  SER  59          3HB       SER  59   5.973  -1.359  -2.509
  370    HB3  SER  59          2HB       SER  59   7.154  -0.398  -1.621
  371    HG   SER  59           HG       SER  59   7.762  -1.874  -3.553
  372    H    THR  60           HN       THR  60   8.820  -3.265  -0.876
  373    HA   THR  60           HA       THR  60   9.861  -3.517   1.627
  374    HB   THR  60           HB       THR  60  11.866  -2.378  -0.210
  375    HG1  THR  60          1HG       THR  60  11.281  -4.712  -1.301
  376   HG21  THR  60          1HG2      THR  60  12.419  -3.755   1.741
  377   HG22  THR  60          2HG2      THR  60  12.948  -4.525   0.247
  378   HG23  THR  60          3HG2      THR  60  11.494  -5.095   1.065
  379    H    SER  61           HN       SER  61   9.576  -0.364  -0.016
  380    HA   SER  61           HA       SER  61  11.347   0.891   1.869
  381    HB2  SER  61          3HB       SER  61  10.675   2.958   0.478
  382    HB3  SER  61          2HB       SER  61  11.630   1.703  -0.312
  383    HG   SER  61           HG       SER  61   9.766   2.457  -1.521
  384    H    GLY  62           HN       GLY  62   8.298  -0.092   2.191
  385    HA2  GLY  62          2HA       GLY  62   6.737   0.409   3.808
  386    HA3  GLY  62          1HA       GLY  62   7.815   1.668   4.387
  387    H    VAL  63           HN       VAL  63   6.422   1.352   1.171
  388    HA   VAL  63           HA       VAL  63   4.925   3.846   1.633
  389    HB   VAL  63           HB       VAL  63   5.283   4.409  -0.760
  390   HG11  VAL  63          1HG1      VAL  63   7.632   5.041  -0.587
  391   HG12  VAL  63          2HG1      VAL  63   7.826   3.948   0.784
  392   HG13  VAL  63          3HG1      VAL  63   6.763   5.350   0.916
  393   HG21  VAL  63          1HG2      VAL  63   5.623   2.111  -1.586
  394   HG22  VAL  63          2HG2      VAL  63   7.198   2.084  -0.795
  395   HG23  VAL  63          3HG2      VAL  63   6.890   3.219  -2.105
  396    H    CYS  64           HN       CYS  64   3.038   4.063  -0.031
  397    HA   CYS  64           HA       CYS  64   1.669   1.452  -0.027
  398    HB2  CYS  64          3HB       CYS  64   0.571   3.649   1.006
  399    HB3  CYS  64          2HB       CYS  64   0.242   4.016  -0.677
  400    H    VAL  65           HN       VAL  65   1.104   0.490  -1.872
  401    HA   VAL  65           HA       VAL  65   1.335   1.783  -4.451
  402    HB   VAL  65           HB       VAL  65   3.245   0.516  -5.263
  403   HG11  VAL  65          1HG1      VAL  65   3.944   1.837  -2.663
  404   HG12  VAL  65          2HG1      VAL  65   3.810   2.630  -4.236
  405   HG13  VAL  65          3HG1      VAL  65   5.082   1.440  -3.951
  406   HG21  VAL  65          1HG2      VAL  65   2.773  -1.443  -3.735
  407   HG22  VAL  65          2HG2      VAL  65   3.688  -0.579  -2.505
  408   HG23  VAL  65          3HG2      VAL  65   4.469  -1.052  -4.010
  409    H    LEU  66           HN       LEU  66   1.203   0.032  -6.222
  410    HA   LEU  66           HA       LEU  66  -0.151  -2.388  -5.487
  411    HB2  LEU  66          3HB       LEU  66   1.426  -1.768  -7.995
  412    HB3  LEU  66          2HB       LEU  66   0.257  -3.059  -7.795
  413    HG   LEU  66           HG       LEU  66  -0.408  -0.113  -7.720
  414   HD11  LEU  66          1HD1      LEU  66   0.317  -0.813  -9.937
  415   HD12  LEU  66          2HD1      LEU  66  -1.416  -0.490  -9.910
  416   HD13  LEU  66          3HD1      LEU  66  -0.828  -2.152  -9.898
  417   HD21  LEU  66          1HD2      LEU  66  -1.945  -1.457  -6.403
  418   HD22  LEU  66          2HD2      LEU  66  -2.171  -2.561  -7.760
  419   HD23  LEU  66          3HD2      LEU  66  -2.727  -0.891  -7.877
  420    H    SER  67           HN       SER  67   0.983  -3.824  -4.162
  421    HA   SER  67           HA       SER  67   3.709  -3.411  -3.593
  422    HB2  SER  67          3HB       SER  67   3.293  -5.979  -2.743
  423    HB3  SER  67          2HB       SER  67   2.830  -4.538  -1.847
  424    HG   SER  67           HG       SER  67   0.994  -5.369  -3.734
  425    H    SER  68           HN       SER  68   5.528  -5.085  -3.875
  426    HA   SER  68           HA       SER  68   5.577  -5.714  -6.705
  427    HB2  SER  68          3HB       SER  68   8.057  -6.251  -6.018
  428    HB3  SER  68          2HB       SER  68   7.510  -4.579  -6.137
  429    HG   SER  68           HG       SER  68   8.366  -4.565  -4.178
  430    H    LEU  69           HN       LEU  69   3.942  -7.483  -6.176
  431    HA   LEU  69           HA       LEU  69   5.487  -9.963  -5.883
  432    HB2  LEU  69          3HB       LEU  69   3.782 -11.049  -4.636
  433    HB3  LEU  69          2HB       LEU  69   4.112  -9.531  -3.827
  434    HG   LEU  69           HG       LEU  69   1.814  -9.793  -5.749
  435   HD11  LEU  69          1HD1      LEU  69   0.387 -10.201  -3.772
  436   HD12  LEU  69          2HD1      LEU  69   1.846 -10.452  -2.814
  437   HD13  LEU  69          3HD1      LEU  69   1.467 -11.540  -4.148
  438   HD21  LEU  69          1HD2      LEU  69   2.513  -7.547  -5.080
  439   HD22  LEU  69          2HD2      LEU  69   2.316  -7.995  -3.386
  440   HD23  LEU  69          3HD2      LEU  69   0.915  -7.949  -4.455
  441    H    HIS  70           HN       HIS  70   4.716 -11.735  -7.108
  442    HA   HIS  70           HA       HIS  70   2.731 -10.994  -9.157
  443    HB2  HIS  70          3HB       HIS  70   3.890 -12.619 -10.679
  444    HB3  HIS  70          2HB       HIS  70   4.831 -11.190 -10.279
  445    HD1  HIS  70          1HD       HIS  70   4.718 -14.901  -9.740
  446    HD2  HIS  70          2HD       HIS  70   7.164 -11.662  -8.844
  447    HE1  HIS  70          1HE       HIS  70   6.868 -15.885  -8.892
  448    HE2  HIS  70          2HE       HIS  70   8.388 -13.915  -8.532
  449    H    HIS  71           HN       HIS  71   2.807 -12.548  -6.459
  450    HA   HIS  71           HA       HIS  71   0.586 -14.180  -7.141
  451    HB2  HIS  71          3HB       HIS  71   2.596 -15.637  -7.781
  452    HB3  HIS  71          2HB       HIS  71   2.933 -15.738  -6.056
  453    HD1  HIS  71          1HD       HIS  71   1.938 -17.735  -4.974
  454    HD2  HIS  71          2HD       HIS  71  -0.246 -16.528  -8.298
  455    HE1  HIS  71          1HE       HIS  71   0.100 -19.429  -5.228
  456    HE2  HIS  71          2HE       HIS  71  -1.155 -18.730  -7.298
  457    H    HIS  72           HN       HIS  72   3.136 -14.340  -4.656
  458    HA   HIS  72           HA       HIS  72   1.750 -12.852  -2.721
  459    HB2  HIS  72          3HB       HIS  72   0.221 -14.821  -2.739
  460    HB3  HIS  72          2HB       HIS  72   1.577 -15.841  -2.279
  461    HD1  HIS  72          1HD       HIS  72  -0.625 -13.097  -0.927
  462    HD2  HIS  72          2HD       HIS  72   2.194 -15.840   0.418
  463    HE1  HIS  72          1HE       HIS  72  -0.739 -13.009   1.580
  464    HE2  HIS  72          2HE       HIS  72   0.859 -14.787   2.366
  465    H    HIS  73           HN       HIS  73   3.622 -15.883  -2.678
  466    HA   HIS  73           HA       HIS  73   6.021 -14.478  -1.937
  467    HB2  HIS  73          3HB       HIS  73   4.726 -14.778   0.235
  468    HB3  HIS  73          2HB       HIS  73   4.941 -16.512   0.024
  469    HD1  HIS  73          1HD       HIS  73   6.831 -13.381   0.842
  470    HD2  HIS  73          2HD       HIS  73   7.496 -17.477   0.601
  471    HE1  HIS  73          1HE       HIS  73   9.071 -13.766   1.911
  472    HE2  HIS  73          2HE       HIS  73   9.514 -16.227   1.630
  473    H    HIS  74           HN       HIS  74   6.272 -15.538  -4.076
  474    HA   HIS  74           HA       HIS  74   7.552 -18.108  -3.803
  475    HB2  HIS  74          3HB       HIS  74   5.148 -18.700  -4.112
  476    HB3  HIS  74          2HB       HIS  74   5.163 -17.838  -5.644
  477    HD1  HIS  74          1HD       HIS  74   6.015 -21.073  -4.090
  478    HD2  HIS  74          2HD       HIS  74   6.719 -19.116  -7.691
  479    HE1  HIS  74          1HE       HIS  74   6.825 -22.844  -5.677
  480    HE2  HIS  74          2HE       HIS  74   7.393 -21.610  -7.796
  481    H    HIS  75           HN       HIS  75   9.192 -18.276  -5.217
  482    HA   HIS  75           HA       HIS  75   9.491 -16.154  -7.207
  483    HB2  HIS  75          3HB       HIS  75  11.472 -18.157  -6.100
  484    HB3  HIS  75          2HB       HIS  75  11.854 -16.983  -7.353
  485    HD1  HIS  75          1HD       HIS  75  12.985 -17.235  -4.295
  486    HD2  HIS  75          2HD       HIS  75  10.380 -14.398  -5.847
  487    HE1  HIS  75          1HE       HIS  75  13.218 -15.221  -2.810
  488    HE2  HIS  75          2HE       HIS  75  11.493 -13.592  -3.663
  Start of MODEL   13
    1    H1   MET   1          1HT       MET   1 -16.661  12.965 -17.563
    2    H2   MET   1          2HT       MET   1 -15.109  12.903 -16.900
    3    H3   MET   1          3HT       MET   1 -15.625  14.290 -17.711
    4    HA   MET   1           HA       MET   1 -15.657  14.648 -15.347
    5    HB2  MET   1          3HB       MET   1 -18.376  14.448 -16.647
    6    HB3  MET   1          2HB       MET   1 -18.071  15.284 -15.131
    7    HG2  MET   1          3HG       MET   1 -16.837  15.971 -17.790
    8    HG3  MET   1          2HG       MET   1 -18.178  16.821 -17.025
    9    HE1  MET   1          1HE       MET   1 -17.295  16.850 -13.948
   10    HE2  MET   1          2HE       MET   1 -17.990  18.210 -14.827
   11    HE3  MET   1          3HE       MET   1 -16.507  18.428 -13.900
   12    H    CYS   2           HN       CYS   2 -17.498  11.817 -16.359
   13    HA   CYS   2           HA       CYS   2 -17.384  10.836 -13.610
   14    HB2  CYS   2          3HB       CYS   2 -19.769  10.032 -13.871
   15    HB3  CYS   2          2HB       CYS   2 -19.575  11.769 -13.686
   16    HG   CYS   2           HG       CYS   2 -21.272  10.239 -15.919
   17    H    GLU   3           HN       GLU   3 -17.116   8.648 -13.439
   18    HA   GLU   3           HA       GLU   3 -16.831   7.165 -15.961
   19    HB2  GLU   3          3HB       GLU   3 -14.876   7.324 -14.365
   20    HB3  GLU   3          2HB       GLU   3 -15.816   6.372 -13.225
   21    HG2  GLU   3          3HG       GLU   3 -14.308   4.921 -14.362
   22    HG3  GLU   3          2HG       GLU   3 -15.942   4.567 -14.922
   23    H    PHE   4           HN       PHE   4 -17.961   6.723 -12.611
   24    HA   PHE   4           HA       PHE   4 -20.268   5.221 -13.650
   25    HB2  PHE   4          3HB       PHE   4 -18.307   3.705 -12.826
   26    HB3  PHE   4          2HB       PHE   4 -18.784   4.232 -11.217
   27    HD1  PHE   4          1HD       PHE   4 -20.195   2.734 -14.310
   28    HD2  PHE   4          2HD       PHE   4 -20.405   3.050 -10.078
   29    HE1  PHE   4          1HE       PHE   4 -21.913   0.979 -14.273
   30    HE2  PHE   4          2HE       PHE   4 -22.132   1.297 -10.030
   31    HZ   PHE   4           HZ       PHE   4 -22.888   0.257 -12.129
   32    H    ILE   5           HN       ILE   5 -21.997   6.214 -12.868
   33    HA   ILE   5           HA       ILE   5 -21.647   8.320 -10.942
   34    HB   ILE   5           HB       ILE   5 -23.155   8.388 -13.053
   35   HG12  ILE   5          3HG1      ILE   5 -24.215   9.494 -10.450
   36   HG13  ILE   5          2HG1      ILE   5 -22.860  10.173 -11.345
   37   HG21  ILE   5          1HG2      ILE   5 -24.976   6.987 -11.115
   38   HG22  ILE   5          2HG2      ILE   5 -24.705   6.633 -12.823
   39   HG23  ILE   5          3HG2      ILE   5 -25.611   8.063 -12.354
   40   HD11  ILE   5          1HD1      ILE   5 -24.331  10.628 -13.233
   41   HD12  ILE   5          2HD1      ILE   5 -24.903  11.410 -11.759
   42   HD13  ILE   5          3HD1      ILE   5 -25.689   9.941 -12.341
   43    H    GLU   6           HN       GLU   6 -21.276   5.735  -9.850
   44    HA   GLU   6           HA       GLU   6 -23.588   5.161  -8.174
   45    HB2  GLU   6          3HB       GLU   6 -22.142   3.359  -9.074
   46    HB3  GLU   6          2HB       GLU   6 -20.794   3.998  -8.150
   47    HG2  GLU   6          3HG       GLU   6 -22.015   3.515  -6.077
   48    HG3  GLU   6          2HG       GLU   6 -23.330   2.828  -7.033
   49    H    ASP   7           HN       ASP   7 -20.904   7.153  -8.175
   50    HA   ASP   7           HA       ASP   7 -20.171   7.200  -5.438
   51    HB2  ASP   7          3HB       ASP   7 -18.933   9.231  -6.040
   52    HB3  ASP   7          2HB       ASP   7 -18.683   7.961  -7.236
   53    H    SER   8           HN       SER   8 -22.840   8.508  -7.077
   54    HA   SER   8           HA       SER   8 -23.186  10.951  -5.729
   55    HB2  SER   8          3HB       SER   8 -25.354   9.207  -6.902
   56    HB3  SER   8          2HB       SER   8 -25.406  10.953  -6.658
   57    HG   SER   8           HG       SER   8 -23.360  10.770  -8.094
   58    H    GLU   9           HN       GLU   9 -23.700   7.723  -4.686
   59    HA   GLU   9           HA       GLU   9 -25.778   8.233  -2.803
   60    HB2  GLU   9          3HB       GLU   9 -23.751   5.994  -2.830
   61    HB3  GLU   9          2HB       GLU   9 -25.251   6.022  -1.914
   62    HG2  GLU   9          3HG       GLU   9 -26.518   6.068  -4.003
   63    HG3  GLU   9          2HG       GLU   9 -25.010   6.023  -4.914
   64    H    ASP  10           HN       ASP  10 -22.260   8.231  -2.651
   65    HA   ASP  10           HA       ASP  10 -22.355   8.861   0.204
   66    HB2  ASP  10          3HB       ASP  10 -20.683   7.196  -0.767
   67    HB3  ASP  10          2HB       ASP  10 -19.882   8.579  -1.507
   68    H    ILE  11           HN       ILE  11 -23.036  10.933   0.365
   69    HA   ILE  11           HA       ILE  11 -22.416  12.949  -1.516
   70    HB   ILE  11           HB       ILE  11 -23.407  13.294   1.318
   71   HG12  ILE  11          3HG1      ILE  11 -24.918  13.031  -1.293
   72   HG13  ILE  11          2HG1      ILE  11 -24.845  11.815  -0.023
   73   HG21  ILE  11          1HG2      ILE  11 -23.502  15.155  -1.058
   74   HG22  ILE  11          2HG2      ILE  11 -22.551  15.375   0.410
   75   HG23  ILE  11          3HG2      ILE  11 -24.311  15.433   0.484
   76   HD11  ILE  11          1HD1      ILE  11 -26.002  13.328   1.493
   77   HD12  ILE  11          2HD1      ILE  11 -26.942  13.037   0.028
   78   HD13  ILE  11          3HD1      ILE  11 -26.064  14.554   0.227
   79    H    GLN  12           HN       GLN  12 -20.819  11.907   1.418
   80    HA   GLN  12           HA       GLN  12 -19.265  14.269   1.771
   81    HB2  GLN  12          3HB       GLN  12 -18.901  11.467   2.825
   82    HB3  GLN  12          2HB       GLN  12 -17.813  12.796   3.199
   83    HG2  GLN  12          3HG       GLN  12 -19.510  13.979   4.346
   84    HG3  GLN  12          2HG       GLN  12 -20.765  12.899   3.751
   85   HE21  GLN  12          1HE2      GLN  12 -17.662  11.761   4.912
   86   HE22  GLN  12          2HE2      GLN  12 -18.272  10.999   6.346
   87    H    GLY  13           HN       GLY  13 -18.717  11.190   0.117
   88    HA2  GLY  13          2HA       GLY  13 -16.068  12.024  -0.725
   89    HA3  GLY  13          1HA       GLY  13 -16.877  10.523  -1.142
   90    H    LEU  14           HN       LEU  14 -19.221  12.522  -1.827
   91    HA   LEU  14           HA       LEU  14 -18.959  12.311  -4.601
   92    HB2  LEU  14          3HB       LEU  14 -21.044  12.674  -3.111
   93    HB3  LEU  14          2HB       LEU  14 -20.669  14.378  -3.251
   94    HG   LEU  14           HG       LEU  14 -21.135  12.624  -5.660
   95   HD11  LEU  14          1HD1      LEU  14 -23.110  12.559  -4.229
   96   HD12  LEU  14          2HD1      LEU  14 -23.412  13.495  -5.693
   97   HD13  LEU  14          3HD1      LEU  14 -23.124  14.320  -4.162
   98   HD21  LEU  14          1HD2      LEU  14 -21.602  14.757  -6.764
   99   HD22  LEU  14          2HD2      LEU  14 -19.972  14.731  -6.090
  100   HD23  LEU  14          3HD2      LEU  14 -21.255  15.613  -5.263
  101    H    LYS  15           HN       LYS  15 -18.447  15.094  -2.447
  102    HA   LYS  15           HA       LYS  15 -17.459  16.664  -4.684
  103    HB2  LYS  15          3HB       LYS  15 -17.338  18.532  -3.192
  104    HB3  LYS  15          2HB       LYS  15 -18.870  17.725  -2.917
  105    HG2  LYS  15          3HG       LYS  15 -16.543  17.047  -1.180
  106    HG3  LYS  15          2HG       LYS  15 -17.402  18.562  -0.923
  107    HD2  LYS  15          3HD       LYS  15 -18.726  15.854  -0.987
  108    HD3  LYS  15          2HD       LYS  15 -18.209  16.672   0.487
  109    HE2  LYS  15          3HE       LYS  15 -20.242  17.671  -1.504
  110    HE3  LYS  15          2HE       LYS  15 -20.577  17.041   0.105
  111    HZ1  LYS  15          1HZ       LYS  15 -19.388  18.890   1.064
  112    HZ2  LYS  15          2HZ       LYS  15 -20.596  19.471   0.035
  113    HZ3  LYS  15          3HZ       LYS  15 -18.982  19.481  -0.468
  114    H    SER  16           HN       SER  16 -16.126  14.221  -3.376
  115    HA   SER  16           HA       SER  16 -13.480  15.471  -3.113
  116    HB2  SER  16          3HB       SER  16 -14.447  14.592  -0.929
  117    HB3  SER  16          2HB       SER  16 -14.344  12.979  -1.631
  118    HG   SER  16           HG       SER  16 -12.253  12.979  -1.341
  119    H    LEU  17           HN       LEU  17 -15.174  14.056  -5.267
  120    HA   LEU  17           HA       LEU  17 -13.337  11.863  -5.877
  121    HB2  LEU  17          3HB       LEU  17 -15.761  11.369  -5.872
  122    HB3  LEU  17          2HB       LEU  17 -15.981  12.540  -7.159
  123    HG   LEU  17           HG       LEU  17 -14.543  11.160  -8.631
  124   HD11  LEU  17          1HD1      LEU  17 -14.016   8.858  -7.943
  125   HD12  LEU  17          2HD1      LEU  17 -14.603   9.225  -6.320
  126   HD13  LEU  17          3HD1      LEU  17 -13.187  10.061  -6.956
  127   HD21  LEU  17          1HD2      LEU  17 -16.901   9.733  -7.410
  128   HD22  LEU  17          2HD2      LEU  17 -16.165   9.348  -8.966
  129   HD23  LEU  17          3HD2      LEU  17 -16.952  10.907  -8.724
  130    H    ARG  18           HN       ARG  18 -14.143  15.040  -6.799
  131    HA   ARG  18           HA       ARG  18 -13.428  14.996  -9.514
  132    HB2  ARG  18          3HB       ARG  18 -14.634  16.881  -8.588
  133    HB3  ARG  18          2HB       ARG  18 -13.292  17.253  -7.514
  134    HG2  ARG  18          3HG       ARG  18 -11.893  17.803  -9.413
  135    HG3  ARG  18          2HG       ARG  18 -13.196  17.373 -10.517
  136    HD2  ARG  18          3HD       ARG  18 -14.574  19.163  -9.610
  137    HD3  ARG  18          2HD       ARG  18 -13.301  19.573  -8.461
  138    HE   ARG  18           HE       ARG  18 -12.297  19.646 -11.102
  139   HH11  ARG  18          1HH1      ARG  18 -14.338  21.449  -8.907
  140   HH12  ARG  18          2HH1      ARG  18 -14.032  22.973  -9.673
  141   HH21  ARG  18          1HH2      ARG  18 -11.889  21.648 -12.115
  142   HH22  ARG  18          2HH2      ARG  18 -12.635  23.088 -11.499
  143    H    LYS  19           HN       LYS  19 -11.526  15.982  -6.701
  144    HA   LYS  19           HA       LYS  19  -9.124  16.317  -8.197
  145    HB2  LYS  19          3HB       LYS  19  -9.733  17.461  -6.016
  146    HB3  LYS  19          2HB       LYS  19  -9.368  15.945  -5.209
  147    HG2  LYS  19          3HG       LYS  19  -7.490  17.440  -5.035
  148    HG3  LYS  19          2HG       LYS  19  -7.062  16.071  -6.064
  149    HD2  LYS  19          3HD       LYS  19  -7.405  17.416  -8.049
  150    HD3  LYS  19          2HD       LYS  19  -7.955  18.775  -7.068
  151    HE2  LYS  19          3HE       LYS  19  -5.639  19.072  -7.787
  152    HE3  LYS  19          2HE       LYS  19  -5.755  18.929  -6.034
  153    HZ1  LYS  19          1HZ       LYS  19  -3.918  17.640  -6.987
  154    HZ2  LYS  19          2HZ       LYS  19  -5.020  16.710  -7.862
  155    HZ3  LYS  19          3HZ       LYS  19  -5.026  16.660  -6.171
  156    H    SER  20           HN       SER  20 -10.746  13.611  -7.044
  157    HA   SER  20           HA       SER  20  -8.319  12.029  -6.661
  158    HB2  SER  20          3HB       SER  20 -11.199  11.166  -6.273
  159    HB3  SER  20          2HB       SER  20  -9.748  10.321  -5.730
  160    HG   SER  20           HG       SER  20 -11.123  12.162  -4.427
  161    H    HIS  21           HN       HIS  21 -10.966  12.436  -8.983
  162    HA   HIS  21           HA       HIS  21 -10.309   9.938 -10.268
  163    HB2  HIS  21          3HB       HIS  21 -12.048  10.422 -11.881
  164    HB3  HIS  21          2HB       HIS  21 -12.646  10.668 -10.252
  165    HD1  HIS  21          1HD       HIS  21 -14.511  12.239 -10.864
  166    HD2  HIS  21          2HD       HIS  21 -10.817  13.529 -12.272
  167    HE1  HIS  21          1HE       HIS  21 -14.890  14.565 -11.729
  168    HE2  HIS  21          2HE       HIS  21 -12.615  15.383 -12.429
  169    H    THR  22           HN       THR  22  -8.802  12.814 -10.204
  170    HA   THR  22           HA       THR  22  -7.908  13.489 -12.713
  171    HB   THR  22           HB       THR  22  -5.833  12.880 -10.598
  172    HG1  THR  22          1HG       THR  22  -6.773  14.288  -9.307
  173   HG21  THR  22          1HG2      THR  22  -6.176  15.130 -12.589
  174   HG22  THR  22          2HG2      THR  22  -5.075  13.763 -12.755
  175   HG23  THR  22          3HG2      THR  22  -4.834  14.938 -11.463
  176    H    SER  23           HN       SER  23  -6.968  10.409 -11.091
  177    HA   SER  23           HA       SER  23  -5.338   9.612 -13.310
  178    HB2  SER  23          3HB       SER  23  -5.549   7.362 -11.938
  179    HB3  SER  23          2HB       SER  23  -4.566   8.697 -11.333
  180    HG   SER  23           HG       SER  23  -6.840   7.595 -10.290
  181    H    LEU  24           HN       LEU  24  -7.319  10.101 -14.767
  182    HA   LEU  24           HA       LEU  24  -9.088   7.755 -14.869
  183    HB2  LEU  24          3HB       LEU  24 -10.743   9.040 -15.907
  184    HB3  LEU  24          2HB       LEU  24 -10.111  10.058 -14.633
  185    HG   LEU  24           HG       LEU  24  -9.323  10.321 -17.539
  186   HD11  LEU  24          1HD1      LEU  24 -10.807  12.259 -17.584
  187   HD12  LEU  24          2HD1      LEU  24 -11.334  11.898 -15.940
  188   HD13  LEU  24          3HD1      LEU  24 -11.698  10.775 -17.249
  189   HD21  LEU  24          1HD2      LEU  24  -8.907  12.132 -15.161
  190   HD22  LEU  24          2HD2      LEU  24  -8.520  12.538 -16.832
  191   HD23  LEU  24          3HD2      LEU  24  -7.661  11.230 -16.022
  192    H    GLU  25           HN       GLU  25  -6.356   8.913 -16.275
  193    HA   GLU  25           HA       GLU  25  -6.977   8.134 -18.993
  194    HB2  GLU  25          3HB       GLU  25  -5.428  10.029 -18.428
  195    HB3  GLU  25          2HB       GLU  25  -4.288   8.842 -17.811
  196    HG2  GLU  25          3HG       GLU  25  -3.710   9.548 -20.065
  197    HG3  GLU  25          2HG       GLU  25  -4.117   7.833 -20.015
  198    H    ASP  26           HN       ASP  26  -5.831   6.671 -16.134
  199    HA   ASP  26           HA       ASP  26  -4.727   4.427 -17.672
  200    HB2  ASP  26          3HB       ASP  26  -3.452   3.810 -15.729
  201    HB3  ASP  26          2HB       ASP  26  -3.168   5.504 -16.078
  202    H    ASP  27           HN       ASP  27  -5.196   2.323 -17.036
  203    HA   ASP  27           HA       ASP  27  -7.941   2.044 -16.105
  204    HB2  ASP  27          3HB       ASP  27  -7.149   0.998 -18.260
  205    HB3  ASP  27          2HB       ASP  27  -6.150  -0.081 -17.294
  206    H    ASP  28           HN       ASP  28  -4.965   1.985 -14.773
  207    HA   ASP  28           HA       ASP  28  -5.237  -0.316 -13.073
  208    HB2  ASP  28          3HB       ASP  28  -3.308   1.995 -12.854
  209    HB3  ASP  28          2HB       ASP  28  -3.222   0.507 -11.923
  210    H    ASP  29           HN       ASP  29  -6.006   3.012 -12.973
  211    HA   ASP  29           HA       ASP  29  -7.121   2.674 -10.267
  212    HB2  ASP  29          3HB       ASP  29  -5.391   4.530 -10.725
  213    HB3  ASP  29          2HB       ASP  29  -6.667   5.324 -11.636
  214    H    GLY  30           HN       GLY  30  -8.464   1.509 -12.273
  215    HA2  GLY  30          2HA       GLY  30 -10.445   3.308 -13.402
  216    HA3  GLY  30          1HA       GLY  30 -10.323   1.578 -13.677
  217    H    SER  31           HN       SER  31 -10.104   2.116 -10.429
  218    HA   SER  31           HA       SER  31 -12.690   1.022  -9.907
  219    HB2  SER  31          3HB       SER  31 -10.687   2.167  -7.949
  220    HB3  SER  31          2HB       SER  31 -11.989   1.034  -7.590
  221    HG   SER  31           HG       SER  31 -10.862  -0.569  -8.432
  222    H    ARG  32           HN       ARG  32 -12.028   3.975 -10.872
  223    HA   ARG  32           HA       ARG  32 -13.077   5.772  -8.996
  224    HB2  ARG  32          3HB       ARG  32 -12.764   5.820 -11.978
  225    HB3  ARG  32          2HB       ARG  32 -13.582   7.134 -11.150
  226    HG2  ARG  32          3HG       ARG  32 -11.643   7.758  -9.989
  227    HG3  ARG  32          2HG       ARG  32 -10.825   6.243 -10.370
  228    HD2  ARG  32          3HD       ARG  32 -11.679   8.189 -12.495
  229    HD3  ARG  32          2HD       ARG  32 -10.119   8.307 -11.684
  230    HE   ARG  32           HE       ARG  32  -9.502   6.211 -12.634
  231   HH11  ARG  32          1HH1      ARG  32 -12.533   7.470 -13.847
  232   HH12  ARG  32          2HH1      ARG  32 -12.485   6.541 -15.317
  233   HH21  ARG  32          1HH2      ARG  32  -9.404   5.021 -14.576
  234   HH22  ARG  32          2HH2      ARG  32 -10.679   5.170 -15.742
  235    H    GLY  33           HN       GLY  33 -15.084   5.746  -8.149
  236    HA2  GLY  33          2HA       GLY  33 -17.430   6.290  -9.137
  237    HA3  GLY  33          1HA       GLY  33 -17.273   4.661  -9.776
  238    H    GLY  34           HN       GLY  34 -15.717   4.060  -7.166
  239    HA2  GLY  34          2HA       GLY  34 -17.426   4.375  -4.988
  240    HA3  GLY  34          1HA       GLY  34 -17.909   2.904  -5.811
  241    H    ASP  35           HN       ASP  35 -14.937   2.582  -6.579
  242    HA   ASP  35           HA       ASP  35 -14.078   1.577  -3.943
  243    HB2  ASP  35          3HB       ASP  35 -14.880  -0.192  -5.600
  244    HB3  ASP  35          2HB       ASP  35 -13.455   0.196  -6.558
  245    H    CYS  36           HN       CYS  36 -13.488   4.043  -5.544
  246    HA   CYS  36           HA       CYS  36 -10.691   3.740  -6.228
  247    HB2  CYS  36          3HB       CYS  36 -11.060   6.359  -6.513
  248    HB3  CYS  36          2HB       CYS  36 -11.597   5.207  -7.731
  249    HG   CYS  36           HG       CYS  36 -13.602   6.543  -5.298
  250    H    GLU  37           HN       GLU  37  -9.717   3.258  -4.293
  251    HA   GLU  37           HA       GLU  37  -9.504   5.514  -2.427
  252    HB2  GLU  37          3HB       GLU  37 -11.047   3.688  -1.579
  253    HB3  GLU  37          2HB       GLU  37  -9.651   2.625  -1.553
  254    HG2  GLU  37          3HG       GLU  37  -8.559   4.043   0.077
  255    HG3  GLU  37          2HG       GLU  37  -9.899   5.187   0.006
  256    H    GLY  38           HN       GLY  38  -7.684   5.415  -4.267
  257    HA2  GLY  38          2HA       GLY  38  -5.490   3.645  -3.545
  258    HA3  GLY  38          1HA       GLY  38  -5.470   4.830  -4.846
  259    H    CYS  39           HN       CYS  39  -4.550   4.131  -1.655
  260    HA   CYS  39           HA       CYS  39  -4.148   6.897  -0.871
  261    HB2  CYS  39          3HB       CYS  39  -3.275   5.875   1.226
  262    HB3  CYS  39          2HB       CYS  39  -4.908   5.361   0.824
  263    H    SER  40           HN       SER  40  -2.603   5.972  -3.190
  264    HA   SER  40           HA       SER  40  -0.072   5.029  -2.310
  265    HB2  SER  40          3HB       SER  40  -0.788   4.443  -4.481
  266    HB3  SER  40          2HB       SER  40  -0.976   6.123  -4.971
  267    HG   SER  40           HG       SER  40   1.338   4.571  -4.676
  268    H    GLY  41           HN       GLY  41   1.979   6.119  -2.700
  269    HA2  GLY  41          2HA       GLY  41   3.291   8.131  -2.354
  270    HA3  GLY  41          1HA       GLY  41   1.778   9.007  -2.151
  271    H    THR  42           HN       THR  42   0.907   6.695  -0.216
  272    HA   THR  42           HA       THR  42   2.115   8.063   2.079
  273    HB   THR  42           HB       THR  42  -0.416   7.617   1.877
  274    HG1  THR  42          1HG       THR  42   0.613   8.327   3.810
  275   HG21  THR  42          1HG2      THR  42   0.529   4.892   2.763
  276   HG22  THR  42          2HG2      THR  42  -0.391   5.277   1.306
  277   HG23  THR  42          3HG2      THR  42  -1.132   5.468   2.895
  278    H    ALA  43           HN       ALA  43   2.856   6.819   3.928
  279    HA   ALA  43           HA       ALA  43   4.524   4.603   2.956
  280    HB1  ALA  43          1HB       ALA  43   6.047   5.170   4.757
  281    HB2  ALA  43          2HB       ALA  43   4.924   6.393   5.353
  282    HB3  ALA  43          3HB       ALA  43   5.699   6.599   3.784
  283    H    CYS  44           HN       CYS  44   4.180   2.725   3.532
  284    HA   CYS  44           HA       CYS  44   2.715   2.058   5.980
  285    HB2  CYS  44          3HB       CYS  44   2.709  -0.210   4.933
  286    HB3  CYS  44          2HB       CYS  44   1.883   1.029   3.985
  287    H    SER  45           HN       SER  45   3.735   1.109   7.641
  288    HA   SER  45           HA       SER  45   6.308  -0.178   7.170
  289    HB2  SER  45          3HB       SER  45   6.032  -0.799   9.645
  290    HB3  SER  45          2HB       SER  45   6.209   0.921   9.291
  291    HG   SER  45           HG       SER  45   4.313   1.233  10.126
  292    H    SER  46           HN       SER  46   2.907  -0.871   7.644
  293    HA   SER  46           HA       SER  46   3.474  -3.729   7.294
  294    HB2  SER  46          3HB       SER  46   1.191  -4.069   8.286
  295    HB3  SER  46          2HB       SER  46   2.357  -3.335   9.387
  296    HG   SER  46           HG       SER  46   1.195  -1.580   9.439
  297    H    ASP  47           HN       ASP  47   2.502  -4.843   5.659
  298    HA   ASP  47           HA       ASP  47   1.347  -3.551   3.462
  299    HB2  ASP  47          3HB       ASP  47   0.917  -5.779   2.588
  300    HB3  ASP  47          2HB       ASP  47   2.524  -5.685   3.295
  301    H    ALA  48           HN       ALA  48  -0.220  -4.936   6.323
  302    HA   ALA  48           HA       ALA  48  -2.665  -5.423   5.178
  303    HB1  ALA  48          1HB       ALA  48  -2.008  -6.327   7.337
  304    HB2  ALA  48          2HB       ALA  48  -3.536  -5.456   7.460
  305    HB3  ALA  48          3HB       ALA  48  -2.045  -4.707   8.032
  306    H    GLN  49           HN       GLN  49  -1.241  -2.450   6.300
  307    HA   GLN  49           HA       GLN  49  -3.775  -1.139   6.622
  308    HB2  GLN  49          3HB       GLN  49  -2.505   0.843   7.217
  309    HB3  GLN  49          2HB       GLN  49  -1.915  -0.556   8.100
  310    HG2  GLN  49          3HG       GLN  49  -0.015  -0.723   6.592
  311    HG3  GLN  49          2HG       GLN  49  -0.618   0.646   5.665
  312   HE21  GLN  49          1HE2      GLN  49  -0.907   0.549   9.125
  313   HE22  GLN  49          2HE2      GLN  49   0.274   1.769   9.456
  314    H    CYS  50           HN       CYS  50  -1.604  -1.680   4.036
  315    HA   CYS  50           HA       CYS  50  -2.658   0.614   2.526
  316    HB2  CYS  50          3HB       CYS  50  -0.839  -1.482   1.364
  317    HB3  CYS  50          2HB       CYS  50  -1.075   0.176   0.843
  318    H    ARG  51           HN       ARG  51  -2.445  -2.895   2.367
  319    HA   ARG  51           HA       ARG  51  -4.172  -3.469   0.333
  320    HB2  ARG  51          3HB       ARG  51  -3.044  -5.278   1.300
  321    HB3  ARG  51          2HB       ARG  51  -3.495  -4.815   2.934
  322    HG2  ARG  51          3HG       ARG  51  -4.663  -6.806   2.284
  323    HG3  ARG  51          2HG       ARG  51  -5.777  -5.449   2.482
  324    HD2  ARG  51          3HD       ARG  51  -5.888  -5.143   0.084
  325    HD3  ARG  51          2HD       ARG  51  -4.668  -6.391  -0.164
  326    HE   ARG  51           HE       ARG  51  -6.949  -7.378   1.242
  327   HH11  ARG  51          1HH1      ARG  51  -5.763  -6.534  -1.940
  328   HH12  ARG  51          2HH1      ARG  51  -6.791  -7.663  -2.763
  329   HH21  ARG  51          1HH2      ARG  51  -8.306  -8.865   0.166
  330   HH22  ARG  51          2HH2      ARG  51  -8.241  -8.991  -1.564
  331    H    ALA  52           HN       ALA  52  -4.964  -2.862   3.757
  332    HA   ALA  52           HA       ALA  52  -7.781  -3.058   3.286
  333    HB1  ALA  52          1HB       ALA  52  -8.027  -2.292   5.585
  334    HB2  ALA  52          2HB       ALA  52  -6.312  -1.890   5.645
  335    HB3  ALA  52          3HB       ALA  52  -6.818  -3.570   5.474
  336    H    ARG  53           HN       ARG  53  -5.416  -0.531   3.051
  337    HA   ARG  53           HA       ARG  53  -7.455   1.515   3.092
  338    HB2  ARG  53          3HB       ARG  53  -5.134   1.785   4.127
  339    HB3  ARG  53          2HB       ARG  53  -4.576   2.011   2.478
  340    HG2  ARG  53          3HG       ARG  53  -4.885   4.159   3.462
  341    HG3  ARG  53          2HG       ARG  53  -6.157   3.919   2.264
  342    HD2  ARG  53          3HD       ARG  53  -6.527   3.409   5.210
  343    HD3  ARG  53          2HD       ARG  53  -6.891   4.950   4.438
  344    HE   ARG  53           HE       ARG  53  -8.304   3.160   2.963
  345   HH11  ARG  53          1HH1      ARG  53  -8.113   3.857   6.388
  346   HH12  ARG  53          2HH1      ARG  53  -9.750   3.378   6.702
  347   HH21  ARG  53          1HH2      ARG  53 -10.440   2.522   3.366
  348   HH22  ARG  53          2HH2      ARG  53 -11.079   2.624   4.982
  349    H    GLY  54           HN       GLY  54  -7.317  -0.508   0.936
  350    HA2  GLY  54          2HA       GLY  54  -8.155  -0.386  -1.209
  351    HA3  GLY  54          1HA       GLY  54  -8.081   1.363  -1.097
  352    H    CYS  55           HN       CYS  55  -5.143   0.959  -0.299
  353    HA   CYS  55           HA       CYS  55  -4.045   1.393  -2.843
  354    HB2  CYS  55          3HB       CYS  55  -2.807   0.887  -0.155
  355    HB3  CYS  55          2HB       CYS  55  -1.798   0.835  -1.598
  356    H    ASP  56           HN       ASP  56  -2.794  -1.379  -0.906
  357    HA   ASP  56           HA       ASP  56  -3.880  -3.514  -2.187
  358    HB2  ASP  56          3HB       ASP  56  -3.084  -2.622  -4.341
  359    HB3  ASP  56          2HB       ASP  56  -1.440  -2.598  -3.725
  360    H    GLY  57           HN       GLY  57  -0.483  -2.313  -1.666
  361    HA2  GLY  57          2HA       GLY  57  -0.333  -3.892   0.732
  362    HA3  GLY  57          1HA       GLY  57   0.581  -4.591  -0.596
  363    H    CYS  58           HN       CYS  58   1.980  -4.002   1.466
  364    HA   CYS  58           HA       CYS  58   3.217  -1.393   1.134
  365    HB2  CYS  58          3HB       CYS  58   2.877  -2.655   3.387
  366    HB3  CYS  58          2HB       CYS  58   4.266  -3.610   2.884
  367    H    SER  59           HN       SER  59   5.034  -1.074  -0.069
  368    HA   SER  59           HA       SER  59   6.043  -3.379  -1.531
  369    HB2  SER  59          3HB       SER  59   7.352  -1.725  -2.801
  370    HB3  SER  59          2HB       SER  59   5.650  -1.272  -2.738
  371    HG   SER  59           HG       SER  59   6.889   0.525  -2.284
  372    H    THR  60           HN       THR  60   8.561  -3.465  -1.798
  373    HA   THR  60           HA       THR  60   9.792  -3.736   0.717
  374    HB   THR  60           HB       THR  60  11.939  -3.597  -0.809
  375    HG1  THR  60          1HG       THR  60  11.327  -2.980  -2.762
  376   HG21  THR  60          1HG2      THR  60   9.846  -5.768  -0.998
  377   HG22  THR  60          2HG2      THR  60  11.126  -5.642   0.208
  378   HG23  THR  60          3HG2      THR  60  11.531  -5.945  -1.482
  379    H    SER  61           HN       SER  61   8.854  -0.774  -0.379
  380    HA   SER  61           HA       SER  61  11.240   0.503   0.693
  381    HB2  SER  61          3HB       SER  61   9.477   1.592  -1.501
  382    HB3  SER  61          2HB       SER  61  10.925   2.361  -0.848
  383    HG   SER  61           HG       SER  61  10.677   0.114  -2.508
  384    H    GLY  62           HN       GLY  62   8.614  -0.303   1.961
  385    HA2  GLY  62          2HA       GLY  62   7.179   0.545   3.516
  386    HA3  GLY  62          1HA       GLY  62   8.371   1.811   3.732
  387    H    VAL  63           HN       VAL  63   6.387   1.151   0.859
  388    HA   VAL  63           HA       VAL  63   4.812   3.545   1.459
  389    HB   VAL  63           HB       VAL  63   4.832   4.089  -1.038
  390   HG11  VAL  63          1HG1      VAL  63   7.377   4.415   0.544
  391   HG12  VAL  63          2HG1      VAL  63   5.965   5.472   0.604
  392   HG13  VAL  63          3HG1      VAL  63   6.922   5.360  -0.873
  393   HG21  VAL  63          1HG2      VAL  63   5.809   1.984  -1.808
  394   HG22  VAL  63          2HG2      VAL  63   7.304   2.375  -0.958
  395   HG23  VAL  63          3HG2      VAL  63   6.770   3.375  -2.308
  396    H    CYS  64           HN       CYS  64   2.769   3.623   0.191
  397    HA   CYS  64           HA       CYS  64   1.680   0.890   0.310
  398    HB2  CYS  64          3HB       CYS  64   0.355   3.568   0.777
  399    HB3  CYS  64          2HB       CYS  64  -0.584   2.139   0.447
  400    H    VAL  65           HN       VAL  65   1.229  -0.101  -1.476
  401    HA   VAL  65           HA       VAL  65   0.759   1.329  -3.993
  402    HB   VAL  65           HB       VAL  65   2.784   0.598  -5.027
  403   HG11  VAL  65          1HG1      VAL  65   4.559   1.469  -3.588
  404   HG12  VAL  65          2HG1      VAL  65   3.449   1.390  -2.214
  405   HG13  VAL  65          3HG1      VAL  65   3.122   2.493  -3.552
  406   HG21  VAL  65          1HG2      VAL  65   2.601  -1.677  -3.773
  407   HG22  VAL  65          2HG2      VAL  65   3.677  -0.908  -2.599
  408   HG23  VAL  65          3HG2      VAL  65   4.187  -1.086  -4.276
  409    H    LEU  66           HN       LEU  66   0.967  -0.542  -5.838
  410    HA   LEU  66           HA       LEU  66  -0.353  -2.949  -5.095
  411    HB2  LEU  66          3HB       LEU  66   0.218  -3.761  -7.322
  412    HB3  LEU  66          2HB       LEU  66  -0.453  -2.149  -7.397
  413    HG   LEU  66           HG       LEU  66   2.522  -2.616  -7.487
  414   HD11  LEU  66          1HD1      LEU  66   1.516  -3.936  -9.274
  415   HD12  LEU  66          2HD1      LEU  66   2.367  -2.534  -9.923
  416   HD13  LEU  66          3HD1      LEU  66   0.607  -2.526  -9.814
  417   HD21  LEU  66          1HD2      LEU  66   0.701  -0.362  -8.315
  418   HD22  LEU  66          2HD2      LEU  66   2.395  -0.466  -8.787
  419   HD23  LEU  66          3HD2      LEU  66   1.966  -0.336  -7.085
  420    H    SER  67           HN       SER  67   0.558  -4.650  -4.008
  421    HA   SER  67           HA       SER  67   2.830  -4.254  -2.511
  422    HB2  SER  67          3HB       SER  67   1.919  -7.018  -3.353
  423    HB3  SER  67          2HB       SER  67   2.644  -6.523  -1.825
  424    HG   SER  67           HG       SER  67   0.063  -5.814  -2.804
  425    H    SER  68           HN       SER  68   4.933  -3.832  -3.452
  426    HA   SER  68           HA       SER  68   5.858  -5.241  -5.733
  427    HB2  SER  68          3HB       SER  68   7.479  -3.704  -3.697
  428    HB3  SER  68          2HB       SER  68   7.946  -4.087  -5.354
  429    HG   SER  68           HG       SER  68   5.778  -2.897  -5.768
  430    H    LEU  69           HN       LEU  69   5.095  -7.312  -4.267
  431    HA   LEU  69           HA       LEU  69   7.607  -8.479  -3.282
  432    HB2  LEU  69          3HB       LEU  69   4.727  -9.124  -2.732
  433    HB3  LEU  69          2HB       LEU  69   5.953 -10.361  -2.544
  434    HG   LEU  69           HG       LEU  69   5.436  -9.345  -0.401
  435   HD11  LEU  69          1HD1      LEU  69   7.734 -10.106  -0.845
  436   HD12  LEU  69          2HD1      LEU  69   7.667  -8.781   0.316
  437   HD13  LEU  69          3HD1      LEU  69   8.159  -8.471  -1.349
  438   HD21  LEU  69          1HD2      LEU  69   6.324  -6.752  -1.654
  439   HD22  LEU  69          2HD2      LEU  69   5.954  -6.995   0.051
  440   HD23  LEU  69          3HD2      LEU  69   4.682  -7.162  -1.160
  441    H    HIS  70           HN       HIS  70   5.429  -8.268  -5.793
  442    HA   HIS  70           HA       HIS  70   6.072 -10.771  -7.061
  443    HB2  HIS  70          3HB       HIS  70   4.815  -8.259  -8.199
  444    HB3  HIS  70          2HB       HIS  70   4.908  -9.811  -9.016
  445    HD1  HIS  70          1HD       HIS  70   2.859  -7.870  -6.656
  446    HD2  HIS  70          2HD       HIS  70   3.230 -11.837  -7.850
  447    HE1  HIS  70          1HE       HIS  70   0.774  -9.019  -5.849
  448    HE2  HIS  70          2HE       HIS  70   0.927 -11.353  -6.784
  449    H    HIS  71           HN       HIS  71   7.056 -10.584  -9.361
  450    HA   HIS  71           HA       HIS  71   8.948 -10.246 -10.581
  451    HB2  HIS  71          3HB       HIS  71   8.881  -7.441  -9.437
  452    HB3  HIS  71          2HB       HIS  71   9.739  -7.960 -10.881
  453    HD1  HIS  71          1HD       HIS  71   8.329  -8.334 -13.028
  454    HD2  HIS  71          2HD       HIS  71   6.158  -6.971  -9.760
  455    HE1  HIS  71          1HE       HIS  71   6.115  -7.588 -13.950
  456    HE2  HIS  71          2HE       HIS  71   4.907  -6.585 -11.985
  457    H    HIS  72           HN       HIS  72   9.333 -11.464  -8.138
  458    HA   HIS  72           HA       HIS  72  11.381 -10.090  -6.649
  459    HB2  HIS  72          3HB       HIS  72  11.433 -12.104  -5.222
  460    HB3  HIS  72          2HB       HIS  72   9.813 -11.450  -5.405
  461    HD1  HIS  72          1HD       HIS  72  11.936 -14.404  -6.359
  462    HD2  HIS  72          2HD       HIS  72   7.977 -13.150  -6.597
  463    HE1  HIS  72          1HE       HIS  72  10.622 -16.434  -7.046
  464    HE2  HIS  72          2HE       HIS  72   8.250 -15.624  -7.300
  465    H    HIS  73           HN       HIS  73  11.438 -11.729  -9.484
  466    HA   HIS  73           HA       HIS  73  14.238 -12.553  -9.084
  467    HB2  HIS  73          3HB       HIS  73  12.534 -14.210 -10.040
  468    HB3  HIS  73          2HB       HIS  73  12.509 -13.200 -11.479
  469    HD1  HIS  73          1HD       HIS  73  14.700 -15.579  -9.579
  470    HD2  HIS  73          2HD       HIS  73  14.716 -13.469 -13.159
  471    HE1  HIS  73          1HE       HIS  73  16.621 -16.511 -10.901
  472    HE2  HIS  73          2HE       HIS  73  16.487 -15.350 -13.131
  473    H    HIS  74           HN       HIS  74  12.721  -9.900  -9.651
  474    HA   HIS  74           HA       HIS  74  14.655  -8.909 -11.616
  475    HB2  HIS  74          3HB       HIS  74  12.581  -9.243 -12.858
  476    HB3  HIS  74          2HB       HIS  74  11.676  -8.356 -11.638
  477    HD1  HIS  74          1HD       HIS  74  11.788  -5.791 -11.702
  478    HD2  HIS  74          2HD       HIS  74  14.063  -7.651 -14.644
  479    HE1  HIS  74          1HE       HIS  74  12.446  -3.969 -13.301
  480    HE2  HIS  74          2HE       HIS  74  13.838  -5.107 -15.060
  481    H    HIS  75           HN       HIS  75  15.846  -7.584 -10.366
  482    HA   HIS  75           HA       HIS  75  14.576  -6.090  -8.221
  483    HB2  HIS  75          3HB       HIS  75  16.718  -7.180  -7.753
  484    HB3  HIS  75          2HB       HIS  75  17.484  -6.259  -9.044
  485    HD1  HIS  75          1HD       HIS  75  15.907  -5.765  -5.640
  486    HD2  HIS  75          2HD       HIS  75  18.374  -3.771  -8.329
  487    HE1  HIS  75          1HE       HIS  75  16.703  -3.704  -4.436
  488    HE2  HIS  75          2HE       HIS  75  18.097  -2.458  -6.118
  Start of MODEL   14
    1    H1   MET   1          1HT       MET   1   4.821  20.857  16.460
    2    H2   MET   1          2HT       MET   1   5.007  21.562  17.983
    3    H3   MET   1          3HT       MET   1   6.369  21.165  17.066
    4    HA   MET   1           HA       MET   1   5.953  23.530  17.016
    5    HB2  MET   1          3HB       MET   1   6.091  23.836  14.639
    6    HB3  MET   1          2HB       MET   1   6.936  22.351  15.041
    7    HG2  MET   1          3HG       MET   1   4.159  22.543  13.897
    8    HG3  MET   1          2HG       MET   1   5.621  22.135  13.002
    9    HE1  MET   1          1HE       MET   1   4.616  19.854  12.065
   10    HE2  MET   1          2HE       MET   1   3.110  20.386  12.805
   11    HE3  MET   1          3HE       MET   1   3.693  18.745  13.076
   12    H    CYS   2           HN       CYS   2   4.587  25.271  16.278
   13    HA   CYS   2           HA       CYS   2   1.844  24.768  16.995
   14    HB2  CYS   2          3HB       CYS   2   3.132  27.356  16.113
   15    HB3  CYS   2          2HB       CYS   2   1.599  27.177  16.960
   16    HG   CYS   2           HG       CYS   2   3.025  25.932  19.209
   17    H    GLU   3           HN       GLU   3   1.719  23.326  14.984
   18    HA   GLU   3           HA       GLU   3   0.577  24.941  12.811
   19    HB2  GLU   3          3HB       GLU   3   2.275  22.460  12.495
   20    HB3  GLU   3          2HB       GLU   3   1.372  23.220  11.192
   21    HG2  GLU   3          3HG       GLU   3   2.710  25.324  11.729
   22    HG3  GLU   3          2HG       GLU   3   3.755  24.264  12.672
   23    H    PHE   4           HN       PHE   4  -0.586  23.131  11.267
   24    HA   PHE   4           HA       PHE   4  -2.249  21.470  13.047
   25    HB2  PHE   4          3HB       PHE   4  -3.251  23.347  10.884
   26    HB3  PHE   4          2HB       PHE   4  -4.247  22.179  11.746
   27    HD1  PHE   4          1HD       PHE   4  -4.608  22.451  14.194
   28    HD2  PHE   4          2HD       PHE   4  -2.737  25.444  11.821
   29    HE1  PHE   4          1HE       PHE   4  -5.042  24.113  15.955
   30    HE2  PHE   4          2HE       PHE   4  -3.166  27.111  13.577
   31    HZ   PHE   4           HZ       PHE   4  -4.320  26.448  15.648
   32    H    ILE   5           HN       ILE   5  -0.071  20.658  11.442
   33    HA   ILE   5           HA       ILE   5  -1.120  19.395   9.067
   34    HB   ILE   5           HB       ILE   5   1.409  19.901   9.610
   35   HG12  ILE   5          3HG1      ILE   5   0.482  17.347   8.275
   36   HG13  ILE   5          2HG1      ILE   5   0.616  18.932   7.520
   37   HG21  ILE   5          1HG2      ILE   5   2.555  17.719  10.300
   38   HG22  ILE   5          2HG2      ILE   5   0.990  17.234  10.956
   39   HG23  ILE   5          3HG2      ILE   5   1.815  18.659  11.589
   40   HD11  ILE   5          1HD1      ILE   5   2.463  17.501   6.884
   41   HD12  ILE   5          2HD1      ILE   5   2.897  17.280   8.579
   42   HD13  ILE   5          3HD1      ILE   5   3.036  18.871   7.834
   43    H    GLU   6           HN       GLU   6  -2.311  18.977  11.830
   44    HA   GLU   6           HA       GLU   6  -1.769  16.151  12.297
   45    HB2  GLU   6          3HB       GLU   6  -3.232  18.204  13.957
   46    HB3  GLU   6          2HB       GLU   6  -3.100  16.503  14.382
   47    HG2  GLU   6          3HG       GLU   6  -0.651  16.711  14.401
   48    HG3  GLU   6          2HG       GLU   6  -0.808  18.425  14.049
   49    H    ASP   7           HN       ASP   7  -2.827  15.618  10.320
   50    HA   ASP   7           HA       ASP   7  -5.626  15.921   9.932
   51    HB2  ASP   7          3HB       ASP   7  -3.637  13.989   8.715
   52    HB3  ASP   7          2HB       ASP   7  -5.322  14.084   8.224
   53    H    SER   8           HN       SER   8  -3.741  13.820  11.837
   54    HA   SER   8           HA       SER   8  -5.487  11.583  11.934
   55    HB2  SER   8          3HB       SER   8  -4.134  11.269  14.188
   56    HB3  SER   8          2HB       SER   8  -3.351  11.041  12.623
   57    HG   SER   8           HG       SER   8  -3.300  13.400  14.228
   58    H    GLU   9           HN       GLU   9  -5.380  14.627  13.577
   59    HA   GLU   9           HA       GLU   9  -7.149  13.878  15.712
   60    HB2  GLU   9          3HB       GLU   9  -5.951  16.455  14.743
   61    HB3  GLU   9          2HB       GLU   9  -7.222  16.467  15.954
   62    HG2  GLU   9          3HG       GLU   9  -4.912  16.588  16.864
   63    HG3  GLU   9          2HG       GLU   9  -5.886  15.270  17.502
   64    H    ASP  10           HN       ASP  10  -7.486  14.774  12.476
   65    HA   ASP  10           HA       ASP  10  -9.267  14.814  11.097
   66    HB2  ASP  10          3HB       ASP  10 -10.219  13.042  12.533
   67    HB3  ASP  10          2HB       ASP  10 -10.972  14.279  13.534
   68    H    ILE  11           HN       ILE  11 -10.696  16.277  14.043
   69    HA   ILE  11           HA       ILE  11 -11.928  18.332  12.494
   70    HB   ILE  11           HB       ILE  11 -11.558  18.158  15.491
   71   HG12  ILE  11          3HG1      ILE  11 -14.107  17.737  15.312
   72   HG13  ILE  11          2HG1      ILE  11 -13.780  17.352  13.628
   73   HG21  ILE  11          1HG2      ILE  11 -13.284  19.890  15.634
   74   HG22  ILE  11          2HG2      ILE  11 -13.284  20.025  13.875
   75   HG23  ILE  11          3HG2      ILE  11 -11.845  20.467  14.791
   76   HD11  ILE  11          1HD1      ILE  11 -12.316  15.554  14.297
   77   HD12  ILE  11          2HD1      ILE  11 -13.896  15.368  15.054
   78   HD13  ILE  11          3HD1      ILE  11 -12.533  15.977  15.993
   79    H    GLN  12           HN       GLN  12  -9.118  18.248  14.654
   80    HA   GLN  12           HA       GLN  12  -8.441  20.955  14.373
   81    HB2  GLN  12          3HB       GLN  12  -7.648  19.589  16.213
   82    HB3  GLN  12          2HB       GLN  12  -6.802  18.525  15.098
   83    HG2  GLN  12          3HG       GLN  12  -5.202  20.112  14.610
   84    HG3  GLN  12          2HG       GLN  12  -6.187  21.423  15.243
   85   HE21  GLN  12          1HE2      GLN  12  -6.287  21.763  17.454
   86   HE22  GLN  12          2HE2      GLN  12  -5.166  21.043  18.555
   87    H    GLY  13           HN       GLY  13  -8.029  18.199  12.384
   88    HA2  GLY  13          2HA       GLY  13  -6.154  19.653  10.641
   89    HA3  GLY  13          1HA       GLY  13  -6.321  17.904  10.692
   90    H    LEU  14           HN       LEU  14  -8.914  20.316  10.577
   91    HA   LEU  14           HA       LEU  14 -10.176  19.010   8.380
   92    HB2  LEU  14          3HB       LEU  14 -10.698  21.665   9.703
   93    HB3  LEU  14          2HB       LEU  14 -11.658  21.063   8.366
   94    HG   LEU  14           HG       LEU  14 -11.375  19.732  11.062
   95   HD11  LEU  14          1HD1      LEU  14 -12.674  21.777  11.188
   96   HD12  LEU  14          2HD1      LEU  14 -13.722  20.369  11.357
   97   HD13  LEU  14          3HD1      LEU  14 -13.668  21.251   9.830
   98   HD21  LEU  14          1HD2      LEU  14 -13.061  19.020   8.667
   99   HD22  LEU  14          2HD2      LEU  14 -13.188  18.273  10.259
  100   HD23  LEU  14          3HD2      LEU  14 -11.711  18.089   9.315
  101    H    LYS  15           HN       LYS  15  -7.467  20.790   8.394
  102    HA   LYS  15           HA       LYS  15  -7.681  22.425   6.112
  103    HB2  LYS  15          3HB       LYS  15  -5.269  20.888   7.105
  104    HB3  LYS  15          2HB       LYS  15  -5.237  22.238   5.979
  105    HG2  LYS  15          3HG       LYS  15  -6.349  22.474   8.746
  106    HG3  LYS  15          2HG       LYS  15  -4.642  22.748   8.381
  107    HD2  LYS  15          3HD       LYS  15  -5.288  24.500   6.780
  108    HD3  LYS  15          2HD       LYS  15  -6.984  24.227   7.180
  109    HE2  LYS  15          3HE       LYS  15  -6.552  24.884   9.489
  110    HE3  LYS  15          2HE       LYS  15  -4.849  25.128   9.110
  111    HZ1  LYS  15          1HZ       LYS  15  -6.037  27.214   9.110
  112    HZ2  LYS  15          2HZ       LYS  15  -7.122  26.644   7.946
  113    HZ3  LYS  15          3HZ       LYS  15  -5.493  26.864   7.549
  114    H    SER  16           HN       SER  16  -7.711  19.057   6.528
  115    HA   SER  16           HA       SER  16  -6.721  18.219   4.027
  116    HB2  SER  16          3HB       SER  16  -8.078  16.120   4.574
  117    HB3  SER  16          2HB       SER  16  -6.834  16.583   5.733
  118    HG   SER  16           HG       SER  16  -8.356  17.255   7.139
  119    H    LEU  17           HN       LEU  17  -9.496  19.937   4.828
  120    HA   LEU  17           HA       LEU  17 -11.134  18.894   2.659
  121    HB2  LEU  17          3HB       LEU  17 -11.561  21.252   4.497
  122    HB3  LEU  17          2HB       LEU  17 -12.733  20.649   3.341
  123    HG   LEU  17           HG       LEU  17 -11.691  19.111   5.723
  124   HD11  LEU  17          1HD1      LEU  17 -13.942  19.438   6.633
  125   HD12  LEU  17          2HD1      LEU  17 -14.342  20.473   5.261
  126   HD13  LEU  17          3HD1      LEU  17 -13.096  20.969   6.407
  127   HD21  LEU  17          1HD2      LEU  17 -12.302  17.645   3.882
  128   HD22  LEU  17          2HD2      LEU  17 -13.859  18.457   3.731
  129   HD23  LEU  17          3HD2      LEU  17 -13.486  17.530   5.182
  130    H    ARG  18           HN       ARG  18  -8.630  21.071   3.002
  131    HA   ARG  18           HA       ARG  18  -9.008  22.063   0.310
  132    HB2  ARG  18          3HB       ARG  18 -10.087  23.717   1.924
  133    HB3  ARG  18          2HB       ARG  18  -8.474  24.007   2.563
  134    HG2  ARG  18          3HG       ARG  18  -7.741  24.719   0.345
  135    HG3  ARG  18          2HG       ARG  18  -9.370  24.463  -0.269
  136    HD2  ARG  18          3HD       ARG  18  -8.608  26.388   1.922
  137    HD3  ARG  18          2HD       ARG  18  -8.907  26.826   0.242
  138    HE   ARG  18           HE       ARG  18 -11.080  25.446   1.570
  139   HH11  ARG  18          1HH1      ARG  18  -9.653  28.535   0.725
  140   HH12  ARG  18          2HH1      ARG  18 -11.141  29.409   0.908
  141   HH21  ARG  18          1HH2      ARG  18 -13.029  26.595   1.801
  142   HH22  ARG  18          2HH2      ARG  18 -13.060  28.305   1.512
  143    H    LYS  19           HN       LYS  19  -7.295  20.278   0.591
  144    HA   LYS  19           HA       LYS  19  -4.850  21.193   1.911
  145    HB2  LYS  19          3HB       LYS  19  -6.043  18.994   2.444
  146    HB3  LYS  19          2HB       LYS  19  -5.427  18.418   0.907
  147    HG2  LYS  19          3HG       LYS  19  -3.165  18.670   1.645
  148    HG3  LYS  19          2HG       LYS  19  -3.695  19.453   3.137
  149    HD2  LYS  19          3HD       LYS  19  -4.876  17.382   3.768
  150    HD3  LYS  19          2HD       LYS  19  -4.263  16.609   2.308
  151    HE2  LYS  19          3HE       LYS  19  -1.992  16.856   3.079
  152    HE3  LYS  19          2HE       LYS  19  -2.533  17.772   4.484
  153    HZ1  LYS  19          1HZ       LYS  19  -3.330  14.969   3.943
  154    HZ2  LYS  19          2HZ       LYS  19  -3.598  15.852   5.363
  155    HZ3  LYS  19          3HZ       LYS  19  -2.021  15.396   4.928
  156    H    SER  20           HN       SER  20  -4.677  22.607  -0.133
  157    HA   SER  20           HA       SER  20  -2.602  21.314  -1.707
  158    HB2  SER  20          3HB       SER  20  -4.900  22.797  -3.019
  159    HB3  SER  20          2HB       SER  20  -3.459  22.210  -3.843
  160    HG   SER  20           HG       SER  20  -4.584  20.220  -2.417
  161    H    HIS  21           HN       HIS  21  -4.424  24.382  -1.313
  162    HA   HIS  21           HA       HIS  21  -2.305  26.094  -1.992
  163    HB2  HIS  21          3HB       HIS  21  -3.621  27.870  -1.137
  164    HB3  HIS  21          2HB       HIS  21  -4.787  26.688  -1.712
  165    HD1  HIS  21          1HD       HIS  21  -4.036  28.747   1.143
  166    HD2  HIS  21          2HD       HIS  21  -5.794  25.026   0.568
  167    HE1  HIS  21          1HE       HIS  21  -5.304  28.261   3.255
  168    HE2  HIS  21          2HE       HIS  21  -6.247  25.949   2.935
  169    H    THR  22           HN       THR  22  -3.000  24.304   0.856
  170    HA   THR  22           HA       THR  22  -1.496  25.856   2.737
  171    HB   THR  22           HB       THR  22  -1.595  23.398   3.864
  172    HG1  THR  22          1HG       THR  22  -3.720  22.575   3.125
  173   HG21  THR  22          1HG2      THR  22  -3.717  24.104   4.879
  174   HG22  THR  22          2HG2      THR  22  -3.901  25.345   3.640
  175   HG23  THR  22          3HG2      THR  22  -2.571  25.440   4.792
  176    H    SER  23           HN       SER  23   0.043  24.936   0.240
  177    HA   SER  23           HA       SER  23   1.814  23.603  -0.477
  178    HB2  SER  23          3HB       SER  23   3.824  23.788   1.023
  179    HB3  SER  23          2HB       SER  23   3.086  25.323   0.583
  180    HG   SER  23           HG       SER  23   2.031  24.332   2.882
  181    H    LEU  24           HN       LEU  24  -0.248  22.135   0.673
  182    HA   LEU  24           HA       LEU  24   1.236  19.840   1.746
  183    HB2  LEU  24          3HB       LEU  24  -1.146  21.186   2.779
  184    HB3  LEU  24          2HB       LEU  24  -1.383  19.465   2.557
  185    HG   LEU  24           HG       LEU  24  -0.714  19.933   4.835
  186   HD11  LEU  24          1HD1      LEU  24   1.175  18.427   5.024
  187   HD12  LEU  24          2HD1      LEU  24   1.526  18.623   3.307
  188   HD13  LEU  24          3HD1      LEU  24   0.032  17.840   3.817
  189   HD21  LEU  24          1HD2      LEU  24   1.789  21.128   3.656
  190   HD22  LEU  24          2HD2      LEU  24   1.473  20.863   5.372
  191   HD23  LEU  24          3HD2      LEU  24   0.495  22.015   4.464
  192    H    GLU  25           HN       GLU  25   0.660  20.531  -1.010
  193    HA   GLU  25           HA       GLU  25  -1.436  18.678  -1.807
  194    HB2  GLU  25          3HB       GLU  25  -0.968  19.365  -4.086
  195    HB3  GLU  25          2HB       GLU  25  -1.129  20.785  -3.067
  196    HG2  GLU  25          3HG       GLU  25   1.557  19.634  -3.729
  197    HG3  GLU  25          2HG       GLU  25   0.731  20.741  -4.819
  198    H    ASP  26           HN       ASP  26   1.686  18.461  -0.849
  199    HA   ASP  26           HA       ASP  26   2.519  16.345  -2.645
  200    HB2  ASP  26          3HB       ASP  26   3.807  17.619  -0.229
  201    HB3  ASP  26          2HB       ASP  26   4.499  16.224  -1.046
  202    H    ASP  27           HN       ASP  27   3.198  14.269  -1.816
  203    HA   ASP  27           HA       ASP  27   1.281  13.198   0.086
  204    HB2  ASP  27          3HB       ASP  27   3.276  11.880  -1.758
  205    HB3  ASP  27          2HB       ASP  27   2.305  10.986  -0.595
  206    H    ASP  28           HN       ASP  28   4.023  14.726   0.443
  207    HA   ASP  28           HA       ASP  28   5.833  13.166   1.816
  208    HB2  ASP  28          3HB       ASP  28   6.267  15.469   1.079
  209    HB3  ASP  28          2HB       ASP  28   5.169  16.063   2.318
  210    H    ASP  29           HN       ASP  29   2.884  14.575   2.953
  211    HA   ASP  29           HA       ASP  29   3.465  14.095   5.743
  212    HB2  ASP  29          3HB       ASP  29   1.376  15.102   6.227
  213    HB3  ASP  29          2HB       ASP  29   2.024  16.004   4.861
  214    H    GLY  30           HN       GLY  30   2.645  12.117   3.261
  215    HA2  GLY  30          2HA       GLY  30   0.590  10.501   4.338
  216    HA3  GLY  30          1HA       GLY  30   1.733  10.019   3.093
  217    H    SER  31           HN       SER  31   3.814  10.868   5.291
  218    HA   SER  31           HA       SER  31   4.131   8.243   6.428
  219    HB2  SER  31          3HB       SER  31   5.677  10.768   7.056
  220    HB3  SER  31          2HB       SER  31   6.188   9.108   7.358
  221    HG   SER  31           HG       SER  31   5.515   9.573   4.743
  222    H    ARG  32           HN       ARG  32   2.397  10.998   7.218
  223    HA   ARG  32           HA       ARG  32   2.313  10.288  10.081
  224    HB2  ARG  32          3HB       ARG  32   1.574  12.964   8.869
  225    HB3  ARG  32          2HB       ARG  32   1.685  12.568  10.576
  226    HG2  ARG  32          3HG       ARG  32   4.097  12.224  10.337
  227    HG3  ARG  32          2HG       ARG  32   3.978  12.654   8.630
  228    HD2  ARG  32          3HD       ARG  32   3.050  14.861   9.320
  229    HD3  ARG  32          2HD       ARG  32   3.370  14.419  10.997
  230    HE   ARG  32           HE       ARG  32   5.600  14.359   9.113
  231   HH11  ARG  32          1HH1      ARG  32   3.980  15.968  11.780
  232   HH12  ARG  32          2HH1      ARG  32   5.354  16.943  12.182
  233   HH21  ARG  32          1HH2      ARG  32   7.394  15.660   9.635
  234   HH22  ARG  32          2HH2      ARG  32   7.290  16.781  10.957
  235    H    GLY  33           HN       GLY  33   0.090  11.173  11.014
  236    HA2  GLY  33          2HA       GLY  33  -2.234  11.405  10.776
  237    HA3  GLY  33          1HA       GLY  33  -2.103  10.816   9.126
  238    H    GLY  34           HN       GLY  34  -2.066   8.605   8.729
  239    HA2  GLY  34          2HA       GLY  34  -1.778   6.370   9.886
  240    HA3  GLY  34          1HA       GLY  34  -2.978   6.980  11.017
  241    H    ASP  35           HN       ASP  35  -4.240   8.343   8.541
  242    HA   ASP  35           HA       ASP  35  -5.463   5.922   7.401
  243    HB2  ASP  35          3HB       ASP  35  -6.922   8.299   8.544
  244    HB3  ASP  35          2HB       ASP  35  -7.668   7.206   7.388
  245    H    CYS  36           HN       CYS  36  -3.447   7.790   6.396
  246    HA   CYS  36           HA       CYS  36  -4.617   9.324   4.310
  247    HB2  CYS  36          3HB       CYS  36  -1.829   8.135   4.400
  248    HB3  CYS  36          2HB       CYS  36  -2.370   9.480   3.400
  249    HG   CYS  36           HG       CYS  36  -0.778   9.870   6.017
  250    H    GLU  37           HN       GLU  37  -5.186   8.743   2.263
  251    HA   GLU  37           HA       GLU  37  -5.205   5.853   1.746
  252    HB2  GLU  37          3HB       GLU  37  -7.392   7.135   2.047
  253    HB3  GLU  37          2HB       GLU  37  -7.029   7.919   0.518
  254    HG2  GLU  37          3HG       GLU  37  -7.147   5.848  -0.655
  255    HG3  GLU  37          2HG       GLU  37  -7.263   4.942   0.854
  256    H    GLY  38           HN       GLY  38  -2.967   7.465   1.210
  257    HA2  GLY  38          2HA       GLY  38  -3.008   7.992  -1.656
  258    HA3  GLY  38          1HA       GLY  38  -1.661   8.318  -0.569
  259    H    CYS  39           HN       CYS  39  -3.174   6.027  -2.620
  260    HA   CYS  39           HA       CYS  39  -1.597   3.774  -1.926
  261    HB2  CYS  39          3HB       CYS  39  -3.260   4.291  -4.400
  262    HB3  CYS  39          2HB       CYS  39  -2.643   2.727  -3.872
  263    H    SER  40           HN       SER  40   0.159   5.716  -2.208
  264    HA   SER  40           HA       SER  40   2.039   4.675  -3.958
  265    HB2  SER  40          3HB       SER  40   2.170   6.392  -5.677
  266    HB3  SER  40          2HB       SER  40   0.565   5.660  -5.630
  267    HG   SER  40           HG       SER  40  -0.292   7.456  -4.845
  268    H    GLY  41           HN       GLY  41   0.957   7.799  -2.683
  269    HA2  GLY  41          2HA       GLY  41   3.722   8.301  -1.782
  270    HA3  GLY  41          1HA       GLY  41   2.450   9.504  -1.785
  271    H    THR  42           HN       THR  42   1.179   6.730  -0.312
  272    HA   THR  42           HA       THR  42   1.637   7.966   2.295
  273    HB   THR  42           HB       THR  42  -0.228   5.741   1.440
  274    HG1  THR  42          1HG       THR  42  -0.451   8.350   1.319
  275   HG21  THR  42          1HG2      THR  42   0.109   6.970   4.183
  276   HG22  THR  42          2HG2      THR  42   0.525   5.316   3.729
  277   HG23  THR  42          3HG2      THR  42  -1.159   5.838   3.711
  278    H    ALA  43           HN       ALA  43   2.754   6.996   3.951
  279    HA   ALA  43           HA       ALA  43   4.519   4.820   3.094
  280    HB1  ALA  43          1HB       ALA  43   4.690   6.538   5.572
  281    HB2  ALA  43          2HB       ALA  43   5.496   6.898   4.046
  282    HB3  ALA  43          3HB       ALA  43   5.927   5.446   4.951
  283    H    CYS  44           HN       CYS  44   4.280   2.923   3.631
  284    HA   CYS  44           HA       CYS  44   2.549   2.126   5.863
  285    HB2  CYS  44          3HB       CYS  44   2.526  -0.029   4.721
  286    HB3  CYS  44          2HB       CYS  44   2.049   1.255   3.607
  287    H    SER  45           HN       SER  45   3.463   1.255   7.617
  288    HA   SER  45           HA       SER  45   6.139   0.101   7.436
  289    HB2  SER  45          3HB       SER  45   5.632  -0.419   9.918
  290    HB3  SER  45          2HB       SER  45   5.843   1.276   9.471
  291    HG   SER  45           HG       SER  45   3.805   1.649   9.901
  292    H    SER  46           HN       SER  46   2.773  -0.767   7.801
  293    HA   SER  46           HA       SER  46   3.482  -3.601   7.568
  294    HB2  SER  46          3HB       SER  46   2.319  -3.132   9.663
  295    HB3  SER  46          2HB       SER  46   1.024  -2.317   8.787
  296    HG   SER  46           HG       SER  46   1.157  -4.852   9.413
  297    H    ASP  47           HN       ASP  47   2.502  -4.791   5.940
  298    HA   ASP  47           HA       ASP  47   1.281  -3.485   3.784
  299    HB2  ASP  47          3HB       ASP  47   0.847  -5.701   2.873
  300    HB3  ASP  47          2HB       ASP  47   2.480  -5.602   3.517
  301    H    ALA  48           HN       ALA  48  -0.131  -4.685   6.760
  302    HA   ALA  48           HA       ALA  48  -2.596  -5.335   5.716
  303    HB1  ALA  48          1HB       ALA  48  -1.788  -6.126   7.885
  304    HB2  ALA  48          2HB       ALA  48  -3.381  -5.378   8.006
  305    HB3  ALA  48          3HB       ALA  48  -1.949  -4.490   8.525
  306    H    GLN  49           HN       GLN  49  -1.201  -2.277   6.432
  307    HA   GLN  49           HA       GLN  49  -3.723  -0.955   6.870
  308    HB2  GLN  49          3HB       GLN  49  -2.405   1.096   7.138
  309    HB3  GLN  49          2HB       GLN  49  -1.830  -0.191   8.183
  310    HG2  GLN  49          3HG       GLN  49   0.039  -0.595   6.689
  311    HG3  GLN  49          2HG       GLN  49  -0.563   0.634   5.580
  312   HE21  GLN  49          1HE2      GLN  49  -1.375   2.443   7.694
  313   HE22  GLN  49          2HE2      GLN  49   0.082   3.114   8.343
  314    H    CYS  50           HN       CYS  50  -1.487  -1.501   4.244
  315    HA   CYS  50           HA       CYS  50  -2.913   0.380   2.541
  316    HB2  CYS  50          3HB       CYS  50  -1.072  -1.742   1.492
  317    HB3  CYS  50          2HB       CYS  50  -1.429  -0.165   0.813
  318    H    ARG  51           HN       ARG  51  -2.651  -3.103   3.072
  319    HA   ARG  51           HA       ARG  51  -4.511  -4.044   1.252
  320    HB2  ARG  51          3HB       ARG  51  -4.023  -4.936   4.107
  321    HB3  ARG  51          2HB       ARG  51  -5.045  -5.808   2.983
  322    HG2  ARG  51          3HG       ARG  51  -2.097  -5.304   2.688
  323    HG3  ARG  51          2HG       ARG  51  -2.870  -6.827   3.127
  324    HD2  ARG  51          3HD       ARG  51  -3.410  -5.367   0.564
  325    HD3  ARG  51          2HD       ARG  51  -2.171  -6.609   0.729
  326    HE   ARG  51           HE       ARG  51  -4.483  -7.768   1.656
  327   HH11  ARG  51          1HH1      ARG  51  -3.456  -6.259  -1.327
  328   HH12  ARG  51          2HH1      ARG  51  -4.471  -7.250  -2.330
  329   HH21  ARG  51          1HH2      ARG  51  -5.806  -9.090   0.341
  330   HH22  ARG  51          2HH2      ARG  51  -5.809  -8.859  -1.381
  331    H    ALA  52           HN       ALA  52  -5.120  -2.873   4.539
  332    HA   ALA  52           HA       ALA  52  -7.961  -3.045   4.262
  333    HB1  ALA  52          1HB       ALA  52  -6.314  -1.610   6.344
  334    HB2  ALA  52          2HB       ALA  52  -6.870  -3.281   6.443
  335    HB3  ALA  52          3HB       ALA  52  -8.040  -1.961   6.445
  336    H    ARG  53           HN       ARG  53  -5.620  -0.892   3.182
  337    HA   ARG  53           HA       ARG  53  -7.375   1.408   3.216
  338    HB2  ARG  53          3HB       ARG  53  -4.846   1.527   3.482
  339    HB3  ARG  53          2HB       ARG  53  -4.770   1.230   1.752
  340    HG2  ARG  53          3HG       ARG  53  -4.580   3.611   2.323
  341    HG3  ARG  53          2HG       ARG  53  -5.975   3.265   1.300
  342    HD2  ARG  53          3HD       ARG  53  -6.507   4.849   3.110
  343    HD3  ARG  53          2HD       ARG  53  -7.451   3.368   3.215
  344    HE   ARG  53           HE       ARG  53  -5.171   3.073   4.810
  345   HH11  ARG  53          1HH1      ARG  53  -8.117   4.965   4.713
  346   HH12  ARG  53          2HH1      ARG  53  -8.216   5.141   6.436
  347   HH21  ARG  53          1HH2      ARG  53  -5.302   3.309   7.095
  348   HH22  ARG  53          2HH2      ARG  53  -6.616   4.215   7.791
  349    H    GLY  54           HN       GLY  54  -7.199  -1.304   1.434
  350    HA2  GLY  54          2HA       GLY  54  -8.161  -1.898  -0.573
  351    HA3  GLY  54          1HA       GLY  54  -8.761  -0.250  -0.716
  352    H    CYS  55           HN       CYS  55  -5.670   0.210  -0.107
  353    HA   CYS  55           HA       CYS  55  -4.923   0.942  -2.689
  354    HB2  CYS  55          3HB       CYS  55  -3.279   0.480  -0.208
  355    HB3  CYS  55          2HB       CYS  55  -2.532   0.940  -1.737
  356    H    ASP  56           HN       ASP  56  -3.210  -1.775  -1.012
  357    HA   ASP  56           HA       ASP  56  -3.827  -3.838  -2.683
  358    HB2  ASP  56          3HB       ASP  56  -2.952  -2.576  -4.606
  359    HB3  ASP  56          2HB       ASP  56  -1.409  -2.369  -3.781
  360    H    GLY  57           HN       GLY  57  -0.767  -2.266  -1.600
  361    HA2  GLY  57          2HA       GLY  57  -0.683  -3.918   0.697
  362    HA3  GLY  57          1HA       GLY  57   0.360  -4.579  -0.554
  363    H    CYS  58           HN       CYS  58   1.607  -3.948   1.587
  364    HA   CYS  58           HA       CYS  58   2.753  -1.288   1.228
  365    HB2  CYS  58          3HB       CYS  58   2.251  -1.856   3.511
  366    HB3  CYS  58          2HB       CYS  58   3.117  -3.380   3.386
  367    H    SER  59           HN       SER  59   4.672  -1.014   0.161
  368    HA   SER  59           HA       SER  59   5.821  -3.458  -0.936
  369    HB2  SER  59          3HB       SER  59   7.113  -1.940  -2.372
  370    HB3  SER  59          2HB       SER  59   5.399  -1.532  -2.421
  371    HG   SER  59           HG       SER  59   6.917   0.268  -2.139
  372    H    THR  60           HN       THR  60   8.305  -3.554  -1.042
  373    HA   THR  60           HA       THR  60   9.368  -3.512   1.563
  374    HB   THR  60           HB       THR  60  11.594  -3.701   0.134
  375    HG1  THR  60          1HG       THR  60  10.719  -3.136  -1.855
  376   HG21  THR  60          1HG2      THR  60   9.440  -5.821   0.143
  377   HG22  THR  60          2HG2      THR  60  10.558  -5.493   1.466
  378   HG23  THR  60          3HG2      THR  60  11.168  -6.095  -0.075
  379    H    SER  61           HN       SER  61   8.665  -0.688   0.012
  380    HA   SER  61           HA       SER  61  11.106   0.590   0.973
  381    HB2  SER  61          3HB       SER  61  10.563   2.365  -0.802
  382    HB3  SER  61          2HB       SER  61  11.215   0.825  -1.361
  383    HG   SER  61           HG       SER  61   9.042   1.944  -2.192
  384    H    GLY  62           HN       GLY  62   8.397   0.096   2.262
  385    HA2  GLY  62          2HA       GLY  62   7.091   1.212   3.765
  386    HA3  GLY  62          1HA       GLY  62   8.295   2.485   3.719
  387    H    VAL  63           HN       VAL  63   6.271   1.387   1.016
  388    HA   VAL  63           HA       VAL  63   4.658   3.819   1.311
  389    HB   VAL  63           HB       VAL  63   4.640   4.153  -1.157
  390   HG11  VAL  63          1HG1      VAL  63   6.064   5.533   0.231
  391   HG12  VAL  63          2HG1      VAL  63   6.854   5.192  -1.308
  392   HG13  VAL  63          3HG1      VAL  63   7.349   4.326   0.147
  393   HG21  VAL  63          1HG2      VAL  63   5.306   1.907  -1.841
  394   HG22  VAL  63          2HG2      VAL  63   6.911   2.174  -1.159
  395   HG23  VAL  63          3HG2      VAL  63   6.366   3.135  -2.533
  396    H    CYS  64           HN       CYS  64   2.609   3.708   0.149
  397    HA   CYS  64           HA       CYS  64   1.535   0.963   0.442
  398    HB2  CYS  64          3HB       CYS  64   0.341   3.672   0.992
  399    HB3  CYS  64          2HB       CYS  64  -0.730   2.449   0.356
  400    H    VAL  65           HN       VAL  65   1.284  -0.027  -1.458
  401    HA   VAL  65           HA       VAL  65   0.412   1.462  -3.812
  402    HB   VAL  65           HB       VAL  65   2.416   0.746  -5.123
  403   HG11  VAL  65          1HG1      VAL  65   4.003   2.387  -4.093
  404   HG12  VAL  65          2HG1      VAL  65   2.814   2.578  -2.802
  405   HG13  VAL  65          3HG1      VAL  65   2.388   2.982  -4.464
  406   HG21  VAL  65          1HG2      VAL  65   3.147  -1.086  -3.680
  407   HG22  VAL  65          2HG2      VAL  65   3.577   0.075  -2.424
  408   HG23  VAL  65          3HG2      VAL  65   4.447   0.074  -3.957
  409    H    LEU  66           HN       LEU  66   0.391  -0.053  -5.771
  410    HA   LEU  66           HA       LEU  66  -0.151  -2.778  -5.163
  411    HB2  LEU  66          3HB       LEU  66   0.006  -3.181  -7.558
  412    HB3  LEU  66          2HB       LEU  66  -0.961  -1.759  -7.241
  413    HG   LEU  66           HG       LEU  66   1.934  -1.596  -8.075
  414   HD11  LEU  66          1HD1      LEU  66  -0.531  -1.563  -9.802
  415   HD12  LEU  66          2HD1      LEU  66   0.724  -2.800  -9.789
  416   HD13  LEU  66          3HD1      LEU  66   1.101  -1.168 -10.342
  417   HD21  LEU  66          1HD2      LEU  66   1.195   0.661  -8.863
  418   HD22  LEU  66          2HD2      LEU  66   1.161   0.451  -7.115
  419   HD23  LEU  66          3HD2      LEU  66  -0.340   0.382  -8.041
  420    H    SER  67           HN       SER  67   1.517  -3.383  -3.785
  421    HA   SER  67           HA       SER  67   4.229  -2.846  -4.036
  422    HB2  SER  67          3HB       SER  67   3.183  -5.453  -2.923
  423    HB3  SER  67          2HB       SER  67   4.603  -4.533  -2.425
  424    HG   SER  67           HG       SER  67   2.808  -2.818  -2.071
  425    H    SER  68           HN       SER  68   5.743  -3.535  -5.681
  426    HA   SER  68           HA       SER  68   5.074  -5.709  -7.411
  427    HB2  SER  68          3HB       SER  68   7.705  -4.248  -7.065
  428    HB3  SER  68          2HB       SER  68   7.249  -5.266  -8.431
  429    HG   SER  68           HG       SER  68   5.341  -3.655  -8.452
  430    H    LEU  69           HN       LEU  69   4.765  -7.041  -5.315
  431    HA   LEU  69           HA       LEU  69   7.264  -8.461  -4.690
  432    HB2  LEU  69          3HB       LEU  69   4.955  -7.873  -2.827
  433    HB3  LEU  69          2HB       LEU  69   6.346  -8.860  -2.428
  434    HG   LEU  69           HG       LEU  69   6.422  -5.905  -3.050
  435   HD11  LEU  69          1HD1      LEU  69   6.932  -5.637  -0.680
  436   HD12  LEU  69          2HD1      LEU  69   6.735  -7.373  -0.435
  437   HD13  LEU  69          3HD1      LEU  69   5.353  -6.387  -0.910
  438   HD21  LEU  69          1HD2      LEU  69   8.595  -7.786  -2.129
  439   HD22  LEU  69          2HD2      LEU  69   8.748  -6.036  -2.289
  440   HD23  LEU  69          3HD2      LEU  69   8.476  -7.030  -3.719
  441    H    HIS  70           HN       HIS  70   6.428 -10.622  -3.450
  442    HA   HIS  70           HA       HIS  70   4.615 -11.871  -5.404
  443    HB2  HIS  70          3HB       HIS  70   6.667 -13.223  -3.637
  444    HB3  HIS  70          2HB       HIS  70   5.731 -13.976  -4.919
  445    HD1  HIS  70          1HD       HIS  70   9.002 -13.300  -4.457
  446    HD2  HIS  70          2HD       HIS  70   6.364 -11.992  -7.392
  447    HE1  HIS  70          1HE       HIS  70  10.438 -12.609  -6.398
  448    HE2  HIS  70          2HE       HIS  70   8.820 -11.930  -8.202
  449    H    HIS  71           HN       HIS  71   2.798 -11.070  -4.107
  450    HA   HIS  71           HA       HIS  71   2.410 -11.788  -1.427
  451    HB2  HIS  71          3HB       HIS  71  -0.005 -11.364  -1.817
  452    HB3  HIS  71          2HB       HIS  71   1.025 -10.066  -2.394
  453    HD1  HIS  71          1HD       HIS  71   0.577  -9.281  -4.702
  454    HD2  HIS  71          2HD       HIS  71  -0.972 -13.077  -4.030
  455    HE1  HIS  71          1HE       HIS  71  -0.762  -9.838  -6.754
  456    HE2  HIS  71          2HE       HIS  71  -1.505 -12.216  -6.408
  457    H    HIS  72           HN       HIS  72   1.787 -13.571  -0.428
  458    HA   HIS  72           HA       HIS  72   1.245 -15.727  -0.029
  459    HB2  HIS  72          3HB       HIS  72  -0.376 -15.267  -2.518
  460    HB3  HIS  72          2HB       HIS  72  -0.336 -16.844  -1.735
  461    HD1  HIS  72          1HD       HIS  72  -1.844 -17.176   0.229
  462    HD2  HIS  72          2HD       HIS  72  -1.474 -13.175  -0.836
  463    HE1  HIS  72          1HE       HIS  72  -3.512 -15.941   1.646
  464    HE2  HIS  72          2HE       HIS  72  -3.143 -13.508   1.114
  465    H    HIS  73           HN       HIS  73   3.723 -15.252  -1.191
  466    HA   HIS  73           HA       HIS  73   4.216 -17.135  -3.280
  467    HB2  HIS  73          3HB       HIS  73   6.616 -16.812  -2.764
  468    HB3  HIS  73          2HB       HIS  73   5.766 -15.294  -3.000
  469    HD1  HIS  73          1HD       HIS  73   7.413 -17.364  -0.320
  470    HD2  HIS  73          2HD       HIS  73   5.799 -13.570  -0.831
  471    HE1  HIS  73          1HE       HIS  73   8.116 -16.054   1.705
  472    HE2  HIS  73          2HE       HIS  73   7.066 -13.786   1.413
  473    H    HIS  74           HN       HIS  74   4.644 -19.250  -3.189
  474    HA   HIS  74           HA       HIS  74   4.300 -20.494  -0.558
  475    HB2  HIS  74          3HB       HIS  74   3.972 -21.692  -3.316
  476    HB3  HIS  74          2HB       HIS  74   3.617 -22.502  -1.794
  477    HD1  HIS  74          1HD       HIS  74   2.082 -20.498  -4.387
  478    HD2  HIS  74          2HD       HIS  74   1.422 -21.163  -0.340
  479    HE1  HIS  74          1HE       HIS  74  -0.279 -19.749  -3.955
  480    HE2  HIS  74          2HE       HIS  74  -0.600 -20.015  -1.470
  481    H    HIS  75           HN       HIS  75   5.575 -22.220   0.112
  482    HA   HIS  75           HA       HIS  75   8.050 -22.690  -1.406
  483    HB2  HIS  75          3HB       HIS  75   8.705 -21.275   0.419
  484    HB3  HIS  75          2HB       HIS  75   7.757 -22.211   1.566
  485    HD1  HIS  75          1HD       HIS  75   8.858 -24.206   2.637
  486    HD2  HIS  75          2HD       HIS  75  11.123 -22.573  -0.441
  487    HE1  HIS  75          1HE       HIS  75  11.093 -25.348   2.764
  488    HE2  HIS  75          2HE       HIS  75  12.502 -24.211   1.014
  Start of MODEL   15
    1    H1   MET   1          1HT       MET   1 -10.497  11.262   3.020
    2    H2   MET   1          2HT       MET   1 -11.451  10.311   4.039
    3    H3   MET   1          3HT       MET   1 -12.165  11.172   2.772
    4    HA   MET   1           HA       MET   1 -10.240   8.946   2.486
    5    HB2  MET   1          3HB       MET   1 -13.218   9.087   1.975
    6    HB3  MET   1          2HB       MET   1 -12.187   7.758   1.465
    7    HG2  MET   1          3HG       MET   1 -12.710   8.616   4.299
    8    HG3  MET   1          2HG       MET   1 -13.385   7.203   3.493
    9    HE1  MET   1          1HE       MET   1 -10.893   6.093   1.837
   10    HE2  MET   1          2HE       MET   1 -11.979   5.078   2.786
   11    HE3  MET   1          3HE       MET   1 -10.234   4.939   2.997
   12    H    CYS   2           HN       CYS   2  -9.174   8.958   0.668
   13    HA   CYS   2           HA       CYS   2  -8.644   9.109  -1.518
   14    HB2  CYS   2          3HB       CYS   2 -11.504   9.974  -1.937
   15    HB3  CYS   2          2HB       CYS   2 -10.369   9.548  -3.214
   16    HG   CYS   2           HG       CYS   2 -10.590   6.965  -3.051
   17    H    GLU   3           HN       GLU   3  -9.504  11.708   0.356
   18    HA   GLU   3           HA       GLU   3  -8.859  13.883   0.387
   19    HB2  GLU   3          3HB       GLU   3  -6.714  12.792  -0.421
   20    HB3  GLU   3          2HB       GLU   3  -7.189  13.238  -2.049
   21    HG2  GLU   3          3HG       GLU   3  -7.075  15.571  -1.496
   22    HG3  GLU   3          2HG       GLU   3  -6.758  15.191   0.198
   23    H    PHE   4           HN       PHE   4  -8.701  15.927  -1.236
   24    HA   PHE   4           HA       PHE   4 -10.941  15.624  -3.165
   25    HB2  PHE   4          3HB       PHE   4 -10.336  18.032  -1.417
   26    HB3  PHE   4          2HB       PHE   4 -11.586  17.958  -2.654
   27    HD1  PHE   4          1HD       PHE   4 -10.722  17.199   0.744
   28    HD2  PHE   4          2HD       PHE   4 -13.462  16.316  -2.387
   29    HE1  PHE   4          1HE       PHE   4 -12.294  16.265   2.389
   30    HE2  PHE   4          2HE       PHE   4 -15.041  15.382  -0.749
   31    HZ   PHE   4           HZ       PHE   4 -14.457  15.356   1.644
   32    H    ILE   5           HN       ILE   5  -8.983  15.058  -4.384
   33    HA   ILE   5           HA       ILE   5  -8.314  16.886  -6.350
   34    HB   ILE   5           HB       ILE   5  -5.724  16.916  -5.850
   35   HG12  ILE   5          3HG1      ILE   5  -6.915  17.104  -3.077
   36   HG13  ILE   5          2HG1      ILE   5  -5.851  15.829  -3.662
   37   HG21  ILE   5          1HG2      ILE   5  -7.644  18.953  -4.767
   38   HG22  ILE   5          2HG2      ILE   5  -7.033  18.847  -6.419
   39   HG23  ILE   5          3HG2      ILE   5  -5.932  19.224  -5.093
   40   HD11  ILE   5          1HD1      ILE   5  -4.061  17.474  -3.957
   41   HD12  ILE   5          2HD1      ILE   5  -4.634  17.403  -2.291
   42   HD13  ILE   5          3HD1      ILE   5  -5.130  18.733  -3.338
   43    H    GLU   6           HN       GLU   6  -6.393  14.459  -4.586
   44    HA   GLU   6           HA       GLU   6  -5.562  13.013  -6.824
   45    HB2  GLU   6          3HB       GLU   6  -4.663  12.785  -4.492
   46    HB3  GLU   6          2HB       GLU   6  -6.107  11.878  -4.078
   47    HG2  GLU   6          3HG       GLU   6  -5.501  10.197  -5.770
   48    HG3  GLU   6          2HG       GLU   6  -4.015  11.093  -6.088
   49    H    ASP   7           HN       ASP   7  -8.609  13.174  -5.323
   50    HA   ASP   7           HA       ASP   7  -9.583  10.578  -6.003
   51    HB2  ASP   7          3HB       ASP   7 -11.717  11.352  -5.232
   52    HB3  ASP   7          2HB       ASP   7 -10.497  12.030  -4.159
   53    H    SER   8           HN       SER   8  -8.898  13.245  -7.881
   54    HA   SER   8           HA       SER   8 -11.137  13.183  -9.661
   55    HB2  SER   8          3HB       SER   8  -9.728  14.662 -11.081
   56    HB3  SER   8          2HB       SER   8  -9.847  15.225  -9.413
   57    HG   SER   8           HG       SER   8  -7.791  14.697  -9.058
   58    H    GLU   9           HN       GLU   9  -8.746  11.018  -9.151
   59    HA   GLU   9           HA       GLU   9  -7.808  10.383 -11.738
   60    HB2  GLU   9          3HB       GLU   9  -7.005   8.310 -10.710
   61    HB3  GLU   9          2HB       GLU   9  -6.626   9.710  -9.713
   62    HG2  GLU   9          3HG       GLU   9  -8.229   9.163  -8.118
   63    HG3  GLU   9          2HG       GLU   9  -9.091   8.087  -9.217
   64    H    ASP  10           HN       ASP  10 -10.880  10.009 -10.514
   65    HA   ASP  10           HA       ASP  10 -11.654   7.420 -11.136
   66    HB2  ASP  10          3HB       ASP  10 -13.003   9.230  -9.949
   67    HB3  ASP  10          2HB       ASP  10 -13.428   9.826 -11.550
   68    H    ILE  11           HN       ILE  11 -10.858   6.609 -12.997
   69    HA   ILE  11           HA       ILE  11 -10.754   7.860 -15.488
   70    HB   ILE  11           HB       ILE  11 -10.874   4.909 -14.863
   71   HG12  ILE  11          3HG1      ILE  11  -8.516   6.743 -15.343
   72   HG13  ILE  11          2HG1      ILE  11  -9.020   6.132 -13.773
   73   HG21  ILE  11          1HG2      ILE  11  -9.960   6.317 -17.371
   74   HG22  ILE  11          2HG2      ILE  11 -11.414   5.334 -17.203
   75   HG23  ILE  11          3HG2      ILE  11  -9.823   4.588 -17.054
   76   HD11  ILE  11          1HD1      ILE  11  -7.117   4.903 -14.671
   77   HD12  ILE  11          2HD1      ILE  11  -8.075   4.449 -16.080
   78   HD13  ILE  11          3HD1      ILE  11  -8.528   3.866 -14.479
   79    H    GLN  12           HN       GLN  12 -13.241   5.748 -14.102
   80    HA   GLN  12           HA       GLN  12 -14.734   5.760 -16.557
   81    HB2  GLN  12          3HB       GLN  12 -16.456   4.488 -15.264
   82    HB3  GLN  12          2HB       GLN  12 -14.875   3.737 -15.342
   83    HG2  GLN  12          3HG       GLN  12 -15.782   5.348 -12.976
   84    HG3  GLN  12          2HG       GLN  12 -16.103   3.624 -13.137
   85   HE21  GLN  12          1HE2      GLN  12 -13.811   6.029 -12.331
   86   HE22  GLN  12          2HE2      GLN  12 -12.498   4.957 -11.937
   87    H    GLY  13           HN       GLY  13 -14.247   8.191 -14.627
   88    HA2  GLY  13          2HA       GLY  13 -16.974   9.185 -14.489
   89    HA3  GLY  13          1HA       GLY  13 -15.517  10.062 -14.037
   90    H    LEU  14           HN       LEU  14 -14.818   8.749 -16.917
   91    HA   LEU  14           HA       LEU  14 -14.698   9.426 -19.065
   92    HB2  LEU  14          3HB       LEU  14 -17.161   9.321 -18.967
   93    HB3  LEU  14          2HB       LEU  14 -17.201  10.998 -18.463
   94    HG   LEU  14           HG       LEU  14 -16.197  11.650 -20.632
   95   HD11  LEU  14          1HD1      LEU  14 -16.519   8.727 -21.293
   96   HD12  LEU  14          2HD1      LEU  14 -15.001   9.615 -21.164
   97   HD13  LEU  14          3HD1      LEU  14 -16.141  10.000 -22.452
   98   HD21  LEU  14          1HD2      LEU  14 -18.616  11.681 -20.323
   99   HD22  LEU  14          2HD2      LEU  14 -18.710  10.001 -20.848
  100   HD23  LEU  14          3HD2      LEU  14 -18.189  11.251 -21.978
  101    H    LYS  15           HN       LYS  15 -12.891  10.627 -17.670
  102    HA   LYS  15           HA       LYS  15 -12.977  13.394 -18.683
  103    HB2  LYS  15          3HB       LYS  15 -11.453  12.237 -16.354
  104    HB3  LYS  15          2HB       LYS  15 -10.937  13.721 -17.133
  105    HG2  LYS  15          3HG       LYS  15 -12.199  14.429 -15.313
  106    HG3  LYS  15          2HG       LYS  15 -13.297  14.580 -16.683
  107    HD2  LYS  15          3HD       LYS  15 -14.530  13.610 -14.900
  108    HD3  LYS  15          2HD       LYS  15 -14.215  12.325 -16.068
  109    HE2  LYS  15          3HE       LYS  15 -13.863  11.535 -13.793
  110    HE3  LYS  15          2HE       LYS  15 -12.349  11.538 -14.693
  111    HZ1  LYS  15          1HZ       LYS  15 -12.124  12.416 -12.427
  112    HZ2  LYS  15          2HZ       LYS  15 -13.193  13.668 -12.806
  113    HZ3  LYS  15          3HZ       LYS  15 -11.703  13.561 -13.598
  114    H    SER  16           HN       SER  16 -12.454  10.954 -20.154
  115    HA   SER  16           HA       SER  16  -9.686  10.633 -20.638
  116    HB2  SER  16          3HB       SER  16 -10.619   9.552 -22.802
  117    HB3  SER  16          2HB       SER  16 -11.031   8.815 -21.253
  118    HG   SER  16           HG       SER  16 -12.755   9.381 -22.958
  119    H    LEU  17           HN       LEU  17 -11.979  12.957 -21.638
  120    HA   LEU  17           HA       LEU  17 -10.628  13.814 -24.003
  121    HB2  LEU  17          3HB       LEU  17 -12.125  15.834 -23.726
  122    HB3  LEU  17          2HB       LEU  17 -12.925  14.292 -23.945
  123    HG   LEU  17           HG       LEU  17 -13.065  14.297 -21.337
  124   HD11  LEU  17          1HD1      LEU  17 -11.637  16.239 -20.978
  125   HD12  LEU  17          2HD1      LEU  17 -13.267  16.516 -20.366
  126   HD13  LEU  17          3HD1      LEU  17 -12.765  17.242 -21.892
  127   HD21  LEU  17          1HD2      LEU  17 -14.984  14.373 -22.811
  128   HD22  LEU  17          2HD2      LEU  17 -14.755  16.106 -23.053
  129   HD23  LEU  17          3HD2      LEU  17 -15.200  15.488 -21.463
  130    H    ARG  18           HN       ARG  18 -10.252  14.317 -20.673
  131    HA   ARG  18           HA       ARG  18  -8.759  16.778 -20.879
  132    HB2  ARG  18          3HB       ARG  18 -10.164  15.982 -18.872
  133    HB3  ARG  18          2HB       ARG  18  -8.828  14.904 -18.513
  134    HG2  ARG  18          3HG       ARG  18  -8.245  17.795 -18.861
  135    HG3  ARG  18          2HG       ARG  18  -9.048  17.270 -17.385
  136    HD2  ARG  18          3HD       ARG  18  -7.217  15.651 -17.012
  137    HD3  ARG  18          2HD       ARG  18  -6.404  16.283 -18.444
  138    HE   ARG  18           HE       ARG  18  -6.962  18.422 -16.723
  139   HH11  ARG  18          1HH1      ARG  18  -4.916  15.576 -16.866
  140   HH12  ARG  18          2HH1      ARG  18  -3.671  16.264 -15.865
  141   HH21  ARG  18          1HH2      ARG  18  -5.338  19.311 -15.377
  142   HH22  ARG  18          2HH2      ARG  18  -3.904  18.380 -15.029
  143    H    LYS  19           HN       LYS  19  -7.453  15.740 -22.598
  144    HA   LYS  19           HA       LYS  19  -4.966  14.725 -21.529
  145    HB2  LYS  19          3HB       LYS  19  -6.498  12.737 -21.844
  146    HB3  LYS  19          2HB       LYS  19  -6.499  13.093 -23.562
  147    HG2  LYS  19          3HG       LYS  19  -4.156  12.628 -23.719
  148    HG3  LYS  19          2HG       LYS  19  -4.029  12.456 -21.966
  149    HD2  LYS  19          3HD       LYS  19  -5.486  10.521 -22.021
  150    HD3  LYS  19          2HD       LYS  19  -5.723  10.720 -23.756
  151    HE2  LYS  19          3HE       LYS  19  -3.085  10.148 -22.415
  152    HE3  LYS  19          2HE       LYS  19  -4.101   8.944 -23.204
  153    HZ1  LYS  19          1HZ       LYS  19  -3.848  10.182 -25.283
  154    HZ2  LYS  19          2HZ       LYS  19  -2.359   9.662 -24.678
  155    HZ3  LYS  19          3HZ       LYS  19  -2.817  11.280 -24.511
  156    H    SER  20           HN       SER  20  -6.274  16.958 -23.180
  157    HA   SER  20           HA       SER  20  -4.223  16.963 -25.268
  158    HB2  SER  20          3HB       SER  20  -6.346  16.267 -26.332
  159    HB3  SER  20          2HB       SER  20  -7.117  17.739 -25.748
  160    HG   SER  20           HG       SER  20  -5.177  17.406 -27.749
  161    H    HIS  21           HN       HIS  21  -6.764  19.420 -25.101
  162    HA   HIS  21           HA       HIS  21  -4.698  21.277 -24.120
  163    HB2  HIS  21          3HB       HIS  21  -7.017  21.768 -25.989
  164    HB3  HIS  21          2HB       HIS  21  -6.006  23.046 -25.324
  165    HD1  HIS  21          1HD       HIS  21  -6.302  20.939 -28.195
  166    HD2  HIS  21          2HD       HIS  21  -3.139  22.581 -26.062
  167    HE1  HIS  21          1HE       HIS  21  -4.317  20.811 -29.727
  168    HE2  HIS  21          2HE       HIS  21  -2.380  21.625 -28.340
  169    H    THR  22           HN       THR  22  -7.533  19.773 -23.253
  170    HA   THR  22           HA       THR  22  -9.129  21.602 -21.940
  171    HB   THR  22           HB       THR  22  -8.462  19.181 -20.331
  172    HG1  THR  22          1HG       THR  22  -9.932  18.818 -22.702
  173   HG21  THR  22          1HG2      THR  22 -10.902  18.987 -20.303
  174   HG22  THR  22          2HG2      THR  22 -11.027  20.343 -21.424
  175   HG23  THR  22          3HG2      THR  22 -10.388  20.597 -19.799
  176    H    SER  23           HN       SER  23  -6.071  20.275 -20.493
  177    HA   SER  23           HA       SER  23  -6.109  22.587 -18.698
  178    HB2  SER  23          3HB       SER  23  -5.114  19.853 -17.887
  179    HB3  SER  23          2HB       SER  23  -5.381  21.255 -16.853
  180    HG   SER  23           HG       SER  23  -7.652  21.037 -17.404
  181    H    LEU  24           HN       LEU  24  -4.122  19.875 -19.754
  182    HA   LEU  24           HA       LEU  24  -1.947  19.696 -20.433
  183    HB2  LEU  24          3HB       LEU  24  -2.890  21.172 -22.221
  184    HB3  LEU  24          2HB       LEU  24  -2.303  22.558 -21.326
  185    HG   LEU  24           HG       LEU  24  -0.004  21.848 -21.647
  186   HD11  LEU  24          1HD1      LEU  24   0.513  19.920 -23.099
  187   HD12  LEU  24          2HD1      LEU  24  -1.195  19.480 -23.083
  188   HD13  LEU  24          3HD1      LEU  24  -0.261  19.452 -21.586
  189   HD21  LEU  24          1HD2      LEU  24  -1.572  21.768 -24.219
  190   HD22  LEU  24          2HD2      LEU  24   0.144  22.136 -24.058
  191   HD23  LEU  24          3HD2      LEU  24  -1.058  23.225 -23.368
  192    H    GLU  25           HN       GLU  25  -1.829  19.774 -17.972
  193    HA   GLU  25           HA       GLU  25  -0.049  21.922 -17.053
  194    HB2  GLU  25          3HB       GLU  25  -1.531  19.764 -15.528
  195    HB3  GLU  25          2HB       GLU  25  -0.464  20.951 -14.794
  196    HG2  GLU  25          3HG       GLU  25  -2.971  21.613 -16.318
  197    HG3  GLU  25          2HG       GLU  25  -2.853  21.501 -14.562
  198    H    ASP  26           HN       ASP  26   0.904  20.097 -18.918
  199    HA   ASP  26           HA       ASP  26   2.512  18.583 -19.404
  200    HB2  ASP  26          3HB       ASP  26   3.719  20.118 -17.660
  201    HB3  ASP  26          2HB       ASP  26   3.557  18.731 -16.589
  202    H    ASP  27           HN       ASP  27   3.639  16.468 -18.037
  203    HA   ASP  27           HA       ASP  27   1.263  14.849 -17.545
  204    HB2  ASP  27          3HB       ASP  27   4.155  14.073 -17.947
  205    HB3  ASP  27          2HB       ASP  27   2.867  12.920 -17.609
  206    H    ASP  28           HN       ASP  28   3.120  16.739 -15.757
  207    HA   ASP  28           HA       ASP  28   3.580  14.997 -13.504
  208    HB2  ASP  28          3HB       ASP  28   5.102  16.924 -14.111
  209    HB3  ASP  28          2HB       ASP  28   3.823  18.002 -13.562
  210    H    ASP  29           HN       ASP  29   1.560  17.744 -14.258
  211    HA   ASP  29           HA       ASP  29  -0.344  18.586 -13.350
  212    HB2  ASP  29          3HB       ASP  29  -0.692  15.631 -13.121
  213    HB3  ASP  29          2HB       ASP  29  -1.874  16.679 -12.347
  214    H    GLY  30           HN       GLY  30   1.230  19.512 -11.740
  215    HA2  GLY  30          2HA       GLY  30   1.388  18.362  -9.136
  216    HA3  GLY  30          1HA       GLY  30   1.888  19.983  -9.589
  217    H    SER  31           HN       SER  31  -1.078  20.108 -10.687
  218    HA   SER  31           HA       SER  31  -2.068  21.265  -8.201
  219    HB2  SER  31          3HB       SER  31  -2.088  22.597 -10.318
  220    HB3  SER  31          2HB       SER  31  -3.258  21.456 -10.980
  221    HG   SER  31           HG       SER  31  -4.597  22.009  -9.130
  222    H    ARG  32           HN       ARG  32  -2.046  18.298  -9.062
  223    HA   ARG  32           HA       ARG  32  -4.515  17.645  -7.775
  224    HB2  ARG  32          3HB       ARG  32  -5.411  16.223  -9.607
  225    HB3  ARG  32          2HB       ARG  32  -5.435  17.936  -9.996
  226    HG2  ARG  32          3HG       ARG  32  -3.341  17.605 -11.293
  227    HG3  ARG  32          2HG       ARG  32  -3.491  15.872 -10.999
  228    HD2  ARG  32          3HD       ARG  32  -5.656  17.515 -12.292
  229    HD3  ARG  32          2HD       ARG  32  -4.379  16.722 -13.211
  230    HE   ARG  32           HE       ARG  32  -5.361  14.671 -11.806
  231   HH11  ARG  32          1HH1      ARG  32  -7.023  17.193 -13.570
  232   HH12  ARG  32          2HH1      ARG  32  -8.317  16.166 -14.085
  233   HH21  ARG  32          1HH2      ARG  32  -7.056  13.304 -12.485
  234   HH22  ARG  32          2HH2      ARG  32  -8.338  13.938 -13.470
  235    H    GLY  33           HN       GLY  33  -4.754  15.103  -7.854
  236    HA2  GLY  33          2HA       GLY  33  -2.085  14.118  -7.138
  237    HA3  GLY  33          1HA       GLY  33  -3.611  13.447  -6.584
  238    H    GLY  34           HN       GLY  34  -1.054  13.059  -8.684
  239    HA2  GLY  34          2HA       GLY  34  -2.621  11.473 -10.595
  240    HA3  GLY  34          1HA       GLY  34  -0.967  12.017 -10.825
  241    H    ASP  35           HN       ASP  35  -1.405  10.864  -7.718
  242    HA   ASP  35           HA       ASP  35   0.148   8.491  -8.256
  243    HB2  ASP  35          3HB       ASP  35  -1.098   9.363  -5.625
  244    HB3  ASP  35          2HB       ASP  35   0.078   8.082  -5.845
  245    H    CYS  36           HN       CYS  36  -1.620   7.702  -9.746
  246    HA   CYS  36           HA       CYS  36  -3.983   6.644  -8.436
  247    HB2  CYS  36          3HB       CYS  36  -3.207   6.387 -11.342
  248    HB3  CYS  36          2HB       CYS  36  -4.811   6.217 -10.635
  249    HG   CYS  36           HG       CYS  36  -4.717   9.008  -9.767
  250    H    GLU  37           HN       GLU  37  -3.106   5.039  -7.147
  251    HA   GLU  37           HA       GLU  37  -3.040   2.482  -8.381
  252    HB2  GLU  37          3HB       GLU  37  -0.670   3.235  -8.736
  253    HB3  GLU  37          2HB       GLU  37  -0.492   3.349  -6.991
  254    HG2  GLU  37          3HG       GLU  37  -0.843   0.986  -6.748
  255    HG3  GLU  37          2HG       GLU  37  -1.206   0.829  -8.465
  256    H    GLY  38           HN       GLY  38  -4.882   2.903  -6.906
  257    HA2  GLY  38          2HA       GLY  38  -5.922   2.046  -4.962
  258    HA3  GLY  38          1HA       GLY  38  -4.321   1.746  -4.297
  259    H    CYS  39           HN       CYS  39  -3.108   3.518  -3.503
  260    HA   CYS  39           HA       CYS  39  -4.137   6.152  -3.320
  261    HB2  CYS  39          3HB       CYS  39  -4.161   5.966  -0.668
  262    HB3  CYS  39          2HB       CYS  39  -5.607   5.660  -1.619
  263    H    SER  40           HN       SER  40  -1.937   6.205  -4.262
  264    HA   SER  40           HA       SER  40   0.163   5.074  -2.624
  265    HB2  SER  40          3HB       SER  40   0.816   6.498  -5.137
  266    HB3  SER  40          2HB       SER  40   1.369   4.939  -4.529
  267    HG   SER  40           HG       SER  40  -0.658   4.066  -5.094
  268    H    GLY  41           HN       GLY  41   2.283   6.365  -2.590
  269    HA2  GLY  41          2HA       GLY  41   3.312   8.565  -2.158
  270    HA3  GLY  41          1HA       GLY  41   1.689   9.191  -1.889
  271    H    THR  42           HN       THR  42   0.797   7.020  -0.215
  272    HA   THR  42           HA       THR  42   1.807   7.915   2.298
  273    HB   THR  42           HB       THR  42   0.112   5.458   1.893
  274    HG1  THR  42          1HG       THR  42  -0.533   8.166   1.446
  275   HG21  THR  42          1HG2      THR  42   0.817   5.984   4.181
  276   HG22  THR  42          2HG2      THR  42  -0.925   6.197   3.991
  277   HG23  THR  42          3HG2      THR  42   0.138   7.604   4.021
  278    H    ALA  43           HN       ALA  43   2.741   6.499   3.929
  279    HA   ALA  43           HA       ALA  43   4.330   4.273   2.804
  280    HB1  ALA  43          1HB       ALA  43   5.734   6.222   3.302
  281    HB2  ALA  43          2HB       ALA  43   6.110   4.868   4.366
  282    HB3  ALA  43          3HB       ALA  43   5.149   6.220   4.964
  283    H    CYS  44           HN       CYS  44   3.420   2.493   3.461
  284    HA   CYS  44           HA       CYS  44   2.631   2.221   6.279
  285    HB2  CYS  44          3HB       CYS  44   1.616   0.071   5.419
  286    HB3  CYS  44          2HB       CYS  44   0.877   1.569   4.859
  287    H    SER  45           HN       SER  45   3.857   1.189   7.630
  288    HA   SER  45           HA       SER  45   6.158  -0.295   6.682
  289    HB2  SER  45          3HB       SER  45   5.308  -0.159   9.580
  290    HB3  SER  45          2HB       SER  45   6.929  -0.299   8.902
  291    HG   SER  45           HG       SER  45   6.846   1.834   8.254
  292    H    SER  46           HN       SER  46   2.930  -0.810   7.643
  293    HA   SER  46           HA       SER  46   3.404  -3.695   7.647
  294    HB2  SER  46          3HB       SER  46   1.067  -2.165   8.815
  295    HB3  SER  46          2HB       SER  46   1.278  -3.915   8.866
  296    HG   SER  46           HG       SER  46   3.092  -3.630  10.163
  297    H    ASP  47           HN       ASP  47   2.313  -4.889   6.194
  298    HA   ASP  47           HA       ASP  47   1.499  -3.790   3.792
  299    HB2  ASP  47          3HB       ASP  47   2.348  -6.109   4.131
  300    HB3  ASP  47          2HB       ASP  47   0.800  -6.540   4.840
  301    H    ALA  48           HN       ALA  48  -0.548  -5.192   6.377
  302    HA   ALA  48           HA       ALA  48  -2.881  -5.140   4.925
  303    HB1  ALA  48          1HB       ALA  48  -2.493  -5.071   7.900
  304    HB2  ALA  48          2HB       ALA  48  -2.566  -6.514   6.889
  305    HB3  ALA  48          3HB       ALA  48  -3.993  -5.494   7.074
  306    H    GLN  49           HN       GLN  49  -1.322  -2.571   6.674
  307    HA   GLN  49           HA       GLN  49  -3.711  -1.208   7.352
  308    HB2  GLN  49          3HB       GLN  49  -2.303   0.644   8.075
  309    HB3  GLN  49          2HB       GLN  49  -1.716  -0.887   8.695
  310    HG2  GLN  49          3HG       GLN  49  -0.028  -0.886   6.851
  311    HG3  GLN  49          2HG       GLN  49  -0.564   0.743   6.453
  312   HE21  GLN  49          1HE2      GLN  49  -0.402  -0.455   9.735
  313   HE22  GLN  49          2HE2      GLN  49   0.926   0.540  10.231
  314    H    CYS  50           HN       CYS  50  -1.520  -0.958   4.558
  315    HA   CYS  50           HA       CYS  50  -3.221   1.242   3.600
  316    HB2  CYS  50          3HB       CYS  50  -0.518   0.304   2.720
  317    HB3  CYS  50          2HB       CYS  50  -1.540   1.243   1.644
  318    H    ARG  51           HN       ARG  51  -1.967  -1.893   2.602
  319    HA   ARG  51           HA       ARG  51  -3.381  -2.484   0.396
  320    HB2  ARG  51          3HB       ARG  51  -1.952  -4.117   1.215
  321    HB3  ARG  51          2HB       ARG  51  -2.653  -4.075   2.825
  322    HG2  ARG  51          3HG       ARG  51  -4.749  -4.935   1.660
  323    HG3  ARG  51          2HG       ARG  51  -3.645  -5.419   0.367
  324    HD2  ARG  51          3HD       ARG  51  -2.257  -6.443   2.265
  325    HD3  ARG  51          2HD       ARG  51  -3.732  -6.277   3.226
  326    HE   ARG  51           HE       ARG  51  -4.823  -7.761   1.621
  327   HH11  ARG  51          1HH1      ARG  51  -1.315  -7.665   1.634
  328   HH12  ARG  51          2HH1      ARG  51  -1.150  -9.195   0.821
  329   HH21  ARG  51          1HH2      ARG  51  -4.602  -9.791   0.586
  330   HH22  ARG  51          2HH2      ARG  51  -3.019 -10.417   0.250
  331    H    ALA  52           HN       ALA  52  -4.668  -3.034   3.728
  332    HA   ALA  52           HA       ALA  52  -7.275  -3.644   2.674
  333    HB1  ALA  52          1HB       ALA  52  -6.429  -3.145   5.526
  334    HB2  ALA  52          2HB       ALA  52  -6.468  -4.714   4.721
  335    HB3  ALA  52          3HB       ALA  52  -7.968  -3.830   5.003
  336    H    ARG  53           HN       ARG  53  -5.576  -0.834   3.461
  337    HA   ARG  53           HA       ARG  53  -7.833   0.845   4.006
  338    HB2  ARG  53          3HB       ARG  53  -5.449   1.433   4.593
  339    HB3  ARG  53          2HB       ARG  53  -5.181   1.747   2.885
  340    HG2  ARG  53          3HG       ARG  53  -6.968   3.458   2.961
  341    HG3  ARG  53          2HG       ARG  53  -7.104   3.188   4.697
  342    HD2  ARG  53          3HD       ARG  53  -5.730   5.099   4.395
  343    HD3  ARG  53          2HD       ARG  53  -4.674   3.776   4.882
  344    HE   ARG  53           HE       ARG  53  -4.583   3.716   2.165
  345   HH11  ARG  53          1HH1      ARG  53  -4.006   6.194   4.567
  346   HH12  ARG  53          2HH1      ARG  53  -2.865   7.058   3.588
  347   HH21  ARG  53          1HH2      ARG  53  -3.062   4.850   0.873
  348   HH22  ARG  53          2HH2      ARG  53  -2.315   6.291   1.498
  349    H    GLY  54           HN       GLY  54  -6.745  -0.689   1.237
  350    HA2  GLY  54          2HA       GLY  54  -8.203  -0.544  -0.706
  351    HA3  GLY  54          1HA       GLY  54  -8.286   1.189  -0.436
  352    H    CYS  55           HN       CYS  55  -5.177   0.698   0.195
  353    HA   CYS  55           HA       CYS  55  -4.304   1.577  -2.346
  354    HB2  CYS  55          3HB       CYS  55  -2.809   0.709   0.122
  355    HB3  CYS  55          2HB       CYS  55  -1.954   1.070  -1.375
  356    H    ASP  56           HN       ASP  56  -2.702  -1.319  -0.966
  357    HA   ASP  56           HA       ASP  56  -3.888  -3.332  -2.386
  358    HB2  ASP  56          3HB       ASP  56  -3.220  -2.205  -4.469
  359    HB3  ASP  56          2HB       ASP  56  -1.540  -2.212  -3.945
  360    H    GLY  57           HN       GLY  57  -0.510  -2.108  -1.746
  361    HA2  GLY  57          2HA       GLY  57  -0.203  -3.982   0.366
  362    HA3  GLY  57          1HA       GLY  57   0.627  -4.523  -1.088
  363    H    CYS  58           HN       CYS  58   2.020  -3.984   1.158
  364    HA   CYS  58           HA       CYS  58   3.262  -1.381   0.648
  365    HB2  CYS  58          3HB       CYS  58   3.519  -3.147   3.093
  366    HB3  CYS  58          2HB       CYS  58   4.097  -1.489   2.910
  367    H    SER  59           HN       SER  59   5.147  -1.331  -0.339
  368    HA   SER  59           HA       SER  59   6.389  -3.932  -0.864
  369    HB2  SER  59          3HB       SER  59   6.781  -1.255  -2.215
  370    HB3  SER  59          2HB       SER  59   7.599  -2.749  -2.684
  371    HG   SER  59           HG       SER  59   4.789  -2.322  -2.644
  372    H    THR  60           HN       THR  60   8.923  -3.705  -1.244
  373    HA   THR  60           HA       THR  60  10.140  -3.763   1.185
  374    HB   THR  60           HB       THR  60  12.177  -2.810  -0.424
  375    HG1  THR  60          1HG       THR  60  11.638  -3.150  -2.454
  376   HG21  THR  60          1HG2      THR  60  12.660  -5.201  -0.779
  377   HG22  THR  60          2HG2      THR  60  11.050  -5.601  -0.182
  378   HG23  THR  60          3HG2      THR  60  12.229  -4.854   0.894
  379    H    SER  61           HN       SER  61   9.628  -0.717  -0.600
  380    HA   SER  61           HA       SER  61  11.420   0.732   1.095
  381    HB2  SER  61          3HB       SER  61  11.131   1.424  -1.237
  382    HB3  SER  61          2HB       SER  61   9.424   1.756  -0.935
  383    HG   SER  61           HG       SER  61  10.367   3.205   0.806
  384    H    GLY  62           HN       GLY  62   8.393  -0.442   1.625
  385    HA2  GLY  62          2HA       GLY  62   6.964  -0.096   3.405
  386    HA3  GLY  62          1HA       GLY  62   8.018   1.203   3.947
  387    H    VAL  63           HN       VAL  63   6.440   0.888   0.818
  388    HA   VAL  63           HA       VAL  63   4.959   3.355   1.409
  389    HB   VAL  63           HB       VAL  63   5.032   3.803  -1.077
  390   HG11  VAL  63          1HG1      VAL  63   7.677   3.707   0.364
  391   HG12  VAL  63          2HG1      VAL  63   6.459   4.971   0.531
  392   HG13  VAL  63          3HG1      VAL  63   7.278   4.734  -1.014
  393   HG21  VAL  63          1HG2      VAL  63   6.677   2.704  -2.431
  394   HG22  VAL  63          2HG2      VAL  63   5.626   1.472  -1.734
  395   HG23  VAL  63          3HG2      VAL  63   7.232   1.747  -1.063
  396    H    CYS  64           HN       CYS  64   2.907   3.607   0.112
  397    HA   CYS  64           HA       CYS  64   1.519   1.026   0.258
  398    HB2  CYS  64          3HB       CYS  64   0.281   3.789   0.197
  399    HB3  CYS  64          2HB       CYS  64  -0.470   2.284   0.678
  400    H    VAL  65           HN       VAL  65   1.145   0.082  -1.624
  401    HA   VAL  65           HA       VAL  65   0.781   1.597  -4.102
  402    HB   VAL  65           HB       VAL  65   2.794   0.842  -5.147
  403   HG11  VAL  65          1HG1      VAL  65   3.165   2.719  -3.687
  404   HG12  VAL  65          2HG1      VAL  65   4.575   1.655  -3.666
  405   HG13  VAL  65          3HG1      VAL  65   3.419   1.623  -2.327
  406   HG21  VAL  65          1HG2      VAL  65   2.599  -1.452  -3.958
  407   HG22  VAL  65          2HG2      VAL  65   3.630  -0.715  -2.726
  408   HG23  VAL  65          3HG2      VAL  65   4.200  -0.847  -4.387
  409    H    LEU  66           HN       LEU  66   0.960  -0.157  -6.020
  410    HA   LEU  66           HA       LEU  66  -0.426  -2.585  -5.450
  411    HB2  LEU  66          3HB       LEU  66  -0.508  -1.711  -7.682
  412    HB3  LEU  66          2HB       LEU  66   1.239  -1.652  -7.788
  413    HG   LEU  66           HG       LEU  66   1.268  -4.151  -7.712
  414   HD11  LEU  66          1HD1      LEU  66  -1.709  -3.825  -8.006
  415   HD12  LEU  66          2HD1      LEU  66  -0.863  -4.535  -6.631
  416   HD13  LEU  66          3HD1      LEU  66  -0.821  -5.334  -8.202
  417   HD21  LEU  66          1HD2      LEU  66   1.448  -2.943  -9.818
  418   HD22  LEU  66          2HD2      LEU  66  -0.311  -2.899  -9.951
  419   HD23  LEU  66          3HD2      LEU  66   0.540  -4.440 -10.023
  420    H    SER  67           HN       SER  67   0.457  -4.318  -4.395
  421    HA   SER  67           HA       SER  67   2.915  -4.232  -3.129
  422    HB2  SER  67          3HB       SER  67   1.645  -6.847  -3.969
  423    HB3  SER  67          2HB       SER  67   2.503  -6.463  -2.478
  424    HG   SER  67           HG       SER  67  -0.045  -5.481  -3.280
  425    H    SER  68           HN       SER  68   4.946  -4.038  -4.286
  426    HA   SER  68           HA       SER  68   5.323  -5.951  -6.490
  427    HB2  SER  68          3HB       SER  68   5.747  -3.672  -7.189
  428    HB3  SER  68          2HB       SER  68   6.842  -3.407  -5.828
  429    HG   SER  68           HG       SER  68   7.868  -3.870  -7.880
  430    H    LEU  69           HN       LEU  69   5.493  -7.601  -4.913
  431    HA   LEU  69           HA       LEU  69   8.195  -8.028  -3.951
  432    HB2  LEU  69          3HB       LEU  69   5.793  -7.965  -2.116
  433    HB3  LEU  69          2HB       LEU  69   7.297  -8.758  -1.697
  434    HG   LEU  69           HG       LEU  69   6.992  -5.804  -2.246
  435   HD11  LEU  69          1HD1      LEU  69   7.299  -7.318   0.343
  436   HD12  LEU  69          2HD1      LEU  69   5.864  -6.445  -0.197
  437   HD13  LEU  69          3HD1      LEU  69   7.346  -5.563   0.171
  438   HD21  LEU  69          1HD2      LEU  69   9.212  -6.632  -2.800
  439   HD22  LEU  69          2HD2      LEU  69   9.332  -7.414  -1.226
  440   HD23  LEU  69          3HD2      LEU  69   9.262  -5.656  -1.335
  441    H    HIS  70           HN       HIS  70   8.429 -10.313  -3.172
  442    HA   HIS  70           HA       HIS  70   6.827 -12.034  -4.878
  443    HB2  HIS  70          3HB       HIS  70   9.367 -12.171  -4.667
  444    HB3  HIS  70          2HB       HIS  70   9.098 -12.893  -3.085
  445    HD1  HIS  70          1HD       HIS  70   9.007 -15.367  -3.103
  446    HD2  HIS  70          2HD       HIS  70   7.931 -13.751  -6.779
  447    HE1  HIS  70          1HE       HIS  70   8.634 -17.334  -4.625
  448    HE2  HIS  70          2HE       HIS  70   8.051 -16.331  -6.861
  449    H    HIS  71           HN       HIS  71   5.211 -11.047  -3.031
  450    HA   HIS  71           HA       HIS  71   4.547 -13.422  -1.442
  451    HB2  HIS  71          3HB       HIS  71   4.455 -10.566  -0.432
  452    HB3  HIS  71          2HB       HIS  71   3.687 -11.923   0.381
  453    HD1  HIS  71          1HD       HIS  71   5.280 -13.659   1.541
  454    HD2  HIS  71          2HD       HIS  71   7.180 -10.321  -0.044
  455    HE1  HIS  71          1HE       HIS  71   7.580 -13.650   2.548
  456    HE2  HIS  71          2HE       HIS  71   8.771 -11.752   1.401
  457    H    HIS  72           HN       HIS  72   3.183 -13.766  -3.321
  458    HA   HIS  72           HA       HIS  72   1.279 -11.787  -4.107
  459    HB2  HIS  72          3HB       HIS  72   2.181 -13.465  -5.680
  460    HB3  HIS  72          2HB       HIS  72   1.343 -14.731  -4.791
  461    HD1  HIS  72          1HD       HIS  72  -1.088 -15.126  -5.356
  462    HD2  HIS  72          2HD       HIS  72   0.431 -11.656  -7.074
  463    HE1  HIS  72          1HE       HIS  72  -2.876 -14.306  -6.916
  464    HE2  HIS  72          2HE       HIS  72  -1.865 -12.308  -8.072
  465    H    HIS  73           HN       HIS  73   1.242 -14.423  -1.827
  466    HA   HIS  73           HA       HIS  73  -1.658 -14.010  -1.488
  467    HB2  HIS  73          3HB       HIS  73  -0.711 -16.342  -2.162
  468    HB3  HIS  73          2HB       HIS  73  -0.206 -16.443  -0.479
  469    HD1  HIS  73          1HD       HIS  73  -1.895 -17.395   1.073
  470    HD2  HIS  73          2HD       HIS  73  -3.635 -15.846  -2.370
  471    HE1  HIS  73          1HE       HIS  73  -4.342 -17.964   1.233
  472    HE2  HIS  73          2HE       HIS  73  -5.371 -17.044  -0.874
  473    H    HIS  74           HN       HIS  74   0.200 -12.270  -0.415
  474    HA   HIS  74           HA       HIS  74   0.697 -11.140   1.467
  475    HB2  HIS  74          3HB       HIS  74  -1.667 -11.566   2.069
  476    HB3  HIS  74          2HB       HIS  74  -1.175 -13.053   2.871
  477    HD1  HIS  74          1HD       HIS  74  -0.977 -12.791   5.309
  478    HD2  HIS  74          2HD       HIS  74  -0.125  -9.245   3.308
  479    HE1  HIS  74          1HE       HIS  74  -0.501 -11.094   7.102
  480    HE2  HIS  74          2HE       HIS  74  -0.160  -8.929   5.875
  481    H    HIS  75           HN       HIS  75   0.284 -14.312   3.034
  482    HA   HIS  75           HA       HIS  75   3.067 -14.877   3.064
  483    HB2  HIS  75          3HB       HIS  75   2.751 -12.944   4.759
  484    HB3  HIS  75          2HB       HIS  75   1.980 -14.156   5.775
  485    HD1  HIS  75          1HD       HIS  75   5.228 -12.821   4.834
  486    HD2  HIS  75          2HD       HIS  75   3.784 -16.354   6.467
  487    HE1  HIS  75          1HE       HIS  75   7.223 -13.960   5.841
  488    HE2  HIS  75          2HE       HIS  75   6.291 -15.999   6.986
  Start of MODEL   16
    1    H1   MET   1          1HT       MET   1 -16.028  11.188 -10.417
    2    H2   MET   1          2HT       MET   1 -15.690  12.758 -10.941
    3    H3   MET   1          3HT       MET   1 -14.422  11.661 -10.680
    4    HA   MET   1           HA       MET   1 -16.533  11.409 -12.744
    5    HB2  MET   1          3HB       MET   1 -13.594  12.092 -12.980
    6    HB3  MET   1          2HB       MET   1 -14.652  11.749 -14.339
    7    HG2  MET   1          3HG       MET   1 -15.014  14.024 -12.404
    8    HG3  MET   1          2HG       MET   1 -14.253  14.151 -13.987
    9    HE1  MET   1          1HE       MET   1 -17.188  13.546 -16.442
   10    HE2  MET   1          2HE       MET   1 -16.031  12.347 -15.866
   11    HE3  MET   1          3HE       MET   1 -15.489  13.981 -16.256
   12    H    CYS   2           HN       CYS   2 -13.194  10.348 -12.233
   13    HA   CYS   2           HA       CYS   2 -13.869   7.634 -11.756
   14    HB2  CYS   2          3HB       CYS   2 -12.745   6.749 -13.843
   15    HB3  CYS   2          2HB       CYS   2 -14.327   7.477 -14.097
   16    HG   CYS   2           HG       CYS   2 -11.662   9.502 -14.515
   17    H    GLU   3           HN       GLU   3 -12.550   8.449 -10.002
   18    HA   GLU   3           HA       GLU   3  -9.883   9.372 -10.557
   19    HB2  GLU   3          3HB       GLU   3 -11.372   8.884  -7.980
   20    HB3  GLU   3          2HB       GLU   3  -9.719   9.473  -8.041
   21    HG2  GLU   3          3HG       GLU   3 -11.127  11.345  -7.715
   22    HG3  GLU   3          2HG       GLU   3 -10.543  11.415  -9.376
   23    H    PHE   4           HN       PHE   4 -10.540   6.602 -11.283
   24    HA   PHE   4           HA       PHE   4  -8.600   5.191  -9.537
   25    HB2  PHE   4          3HB       PHE   4  -9.561   3.101 -10.590
   26    HB3  PHE   4          2HB       PHE   4 -10.659   3.993  -9.545
   27    HD1  PHE   4          1HD       PHE   4  -9.862   3.141 -13.035
   28    HD2  PHE   4          2HD       PHE   4 -12.644   4.978 -10.394
   29    HE1  PHE   4          1HE       PHE   4 -11.530   3.203 -14.841
   30    HE2  PHE   4          2HE       PHE   4 -14.318   5.042 -12.193
   31    HZ   PHE   4           HZ       PHE   4 -13.763   4.156 -14.419
   32    H    ILE   5           HN       ILE   5  -8.119   7.068 -11.779
   33    HA   ILE   5           HA       ILE   5  -6.199   5.513 -13.232
   34    HB   ILE   5           HB       ILE   5  -6.996   6.335 -15.526
   35   HG12  ILE   5          3HG1      ILE   5  -9.676   6.334 -14.100
   36   HG13  ILE   5          2HG1      ILE   5  -8.876   7.762 -14.744
   37   HG21  ILE   5          1HG2      ILE   5  -8.324   4.304 -15.845
   38   HG22  ILE   5          2HG2      ILE   5  -8.396   4.106 -14.095
   39   HG23  ILE   5          3HG2      ILE   5  -6.845   4.028 -14.926
   40   HD11  ILE   5          1HD1      ILE   5  -9.845   5.412 -16.343
   41   HD12  ILE   5          2HD1      ILE   5  -9.050   6.847 -16.990
   42   HD13  ILE   5          3HD1      ILE   5 -10.630   6.987 -16.218
   43    H    GLU   6           HN       GLU   6  -7.790   8.584 -14.027
   44    HA   GLU   6           HA       GLU   6  -5.481   9.993 -14.608
   45    HB2  GLU   6          3HB       GLU   6  -7.806  10.748 -15.088
   46    HB3  GLU   6          2HB       GLU   6  -7.999  11.134 -13.388
   47    HG2  GLU   6          3HG       GLU   6  -6.178  12.768 -13.569
   48    HG3  GLU   6          2HG       GLU   6  -6.049  12.409 -15.292
   49    H    ASP   7           HN       ASP   7  -7.051   9.392 -11.594
   50    HA   ASP   7           HA       ASP   7  -5.462  11.212 -10.046
   51    HB2  ASP   7          3HB       ASP   7  -7.706  10.591  -9.297
   52    HB3  ASP   7          2HB       ASP   7  -7.225   8.904  -9.190
   53    H    SER   8           HN       SER   8  -5.266   7.923 -11.044
   54    HA   SER   8           HA       SER   8  -3.321   7.119  -9.093
   55    HB2  SER   8          3HB       SER   8  -4.898   5.514 -10.132
   56    HB3  SER   8          2HB       SER   8  -4.115   5.773 -11.689
   57    HG   SER   8           HG       SER   8  -2.738   4.866  -9.382
   58    H    GLU   9           HN       GLU   9  -3.252   8.399 -12.345
   59    HA   GLU   9           HA       GLU   9  -0.460   7.784 -12.730
   60    HB2  GLU   9          3HB       GLU   9  -2.407   9.390 -14.383
   61    HB3  GLU   9          2HB       GLU   9  -0.759   9.019 -14.868
   62    HG2  GLU   9          3HG       GLU   9  -1.275   6.639 -14.832
   63    HG3  GLU   9          2HG       GLU   9  -2.922   7.002 -14.321
   64    H    ASP  10           HN       ASP  10  -2.337  10.396 -11.513
   65    HA   ASP  10           HA       ASP  10  -1.818  12.385 -10.575
   66    HB2  ASP  10          3HB       ASP  10  -0.287  11.112  -9.203
   67    HB3  ASP  10          2HB       ASP  10   0.941  11.154 -10.461
   68    H    ILE  11           HN       ILE  11   1.413  12.320 -11.938
   69    HA   ILE  11           HA       ILE  11   0.724  14.663 -13.530
   70    HB   ILE  11           HB       ILE  11   3.396  13.393 -12.907
   71   HG12  ILE  11          3HG1      ILE  11   2.394  14.530 -11.008
   72   HG13  ILE  11          2HG1      ILE  11   3.759  15.464 -11.606
   73   HG21  ILE  11          1HG2      ILE  11   4.430  15.346 -13.958
   74   HG22  ILE  11          2HG2      ILE  11   2.839  15.916 -14.462
   75   HG23  ILE  11          3HG2      ILE  11   3.485  14.411 -15.118
   76   HD11  ILE  11          1HD1      ILE  11   2.182  16.949 -12.786
   77   HD12  ILE  11          2HD1      ILE  11   1.952  16.939 -11.038
   78   HD13  ILE  11          3HD1      ILE  11   0.844  16.045 -12.077
   79    H    GLN  12           HN       GLN  12   1.381  11.310 -13.922
   80    HA   GLN  12           HA       GLN  12   2.260  11.410 -16.638
   81    HB2  GLN  12          3HB       GLN  12   1.228   9.170 -14.903
   82    HB3  GLN  12          2HB       GLN  12   1.739   8.926 -16.566
   83    HG2  GLN  12          3HG       GLN  12   3.979   9.659 -16.020
   84    HG3  GLN  12          2HG       GLN  12   3.490  10.015 -14.370
   85   HE21  GLN  12          1HE2      GLN  12   2.443   7.198 -16.186
   86   HE22  GLN  12          2HE2      GLN  12   3.294   6.039 -15.223
   87    H    GLY  13           HN       GLY  13  -0.790  11.486 -15.062
   88    HA2  GLY  13          2HA       GLY  13  -2.215  10.891 -17.552
   89    HA3  GLY  13          1HA       GLY  13  -2.942  11.053 -15.961
   90    H    LEU  14           HN       LEU  14  -0.746  13.510 -16.384
   91    HA   LEU  14           HA       LEU  14  -2.798  15.341 -17.427
   92    HB2  LEU  14          3HB       LEU  14  -0.886  15.817 -15.141
   93    HB3  LEU  14          2HB       LEU  14  -1.903  17.049 -15.855
   94    HG   LEU  14           HG       LEU  14  -2.903  14.583 -14.430
   95   HD11  LEU  14          1HD1      LEU  14  -3.574  16.144 -12.679
   96   HD12  LEU  14          2HD1      LEU  14  -2.813  17.467 -13.562
   97   HD13  LEU  14          3HD1      LEU  14  -1.826  16.155 -12.916
   98   HD21  LEU  14          1HD2      LEU  14  -4.444  15.336 -16.158
   99   HD22  LEU  14          2HD2      LEU  14  -4.376  16.979 -15.522
  100   HD23  LEU  14          3HD2      LEU  14  -5.087  15.687 -14.555
  101    H    LYS  15           HN       LYS  15  -1.692  14.997 -19.465
  102    HA   LYS  15           HA       LYS  15   1.122  15.684 -19.568
  103    HB2  LYS  15          3HB       LYS  15  -0.707  14.737 -21.776
  104    HB3  LYS  15          2HB       LYS  15   1.029  14.963 -21.913
  105    HG2  LYS  15          3HG       LYS  15   0.968  13.340 -19.787
  106    HG3  LYS  15          2HG       LYS  15  -0.498  12.804 -20.605
  107    HD2  LYS  15          3HD       LYS  15   1.294  11.441 -21.380
  108    HD3  LYS  15          2HD       LYS  15   0.851  12.536 -22.689
  109    HE2  LYS  15          3HE       LYS  15   3.281  12.331 -22.456
  110    HE3  LYS  15          2HE       LYS  15   2.734  13.977 -22.148
  111    HZ1  LYS  15          1HZ       LYS  15   4.397  13.205 -20.541
  112    HZ2  LYS  15          2HZ       LYS  15   3.350  11.978 -20.039
  113    HZ3  LYS  15          3HZ       LYS  15   2.934  13.596 -19.795
  114    H    SER  16           HN       SER  16  -1.643  17.483 -19.699
  115    HA   SER  16           HA       SER  16  -0.606  19.445 -21.559
  116    HB2  SER  16          3HB       SER  16  -2.903  19.671 -19.590
  117    HB3  SER  16          2HB       SER  16  -2.539  20.798 -20.897
  118    HG   SER  16           HG       SER  16  -2.754  18.209 -21.749
  119    H    LEU  17           HN       LEU  17  -0.324  18.568 -18.286
  120    HA   LEU  17           HA       LEU  17   0.656  21.176 -17.432
  121    HB2  LEU  17          3HB       LEU  17   0.118  18.585 -16.013
  122    HB3  LEU  17          2HB       LEU  17   1.055  19.851 -15.249
  123    HG   LEU  17           HG       LEU  17  -0.901  21.383 -15.509
  124   HD11  LEU  17          1HD1      LEU  17  -2.016  20.241 -17.364
  125   HD12  LEU  17          2HD1      LEU  17  -3.092  20.438 -15.981
  126   HD13  LEU  17          3HD1      LEU  17  -2.360  18.871 -16.312
  127   HD21  LEU  17          1HD2      LEU  17  -0.476  20.293 -13.405
  128   HD22  LEU  17          2HD2      LEU  17  -1.314  18.840 -13.950
  129   HD23  LEU  17          3HD2      LEU  17  -2.214  20.337 -13.703
  130    H    ARG  18           HN       ARG  18   1.729  18.182 -18.569
  131    HA   ARG  18           HA       ARG  18   3.731  17.349 -19.188
  132    HB2  ARG  18          3HB       ARG  18   4.063  19.822 -19.882
  133    HB3  ARG  18          2HB       ARG  18   5.100  19.919 -18.466
  134    HG2  ARG  18          3HG       ARG  18   6.585  18.278 -19.340
  135    HG3  ARG  18          2HG       ARG  18   5.471  17.885 -20.650
  136    HD2  ARG  18          3HD       ARG  18   7.094  19.232 -21.654
  137    HD3  ARG  18          2HD       ARG  18   5.737  20.316 -21.372
  138    HE   ARG  18           HE       ARG  18   7.881  20.233 -19.386
  139   HH11  ARG  18          1HH1      ARG  18   6.196  21.983 -21.911
  140   HH12  ARG  18          2HH1      ARG  18   7.041  23.469 -21.614
  141   HH21  ARG  18          1HH2      ARG  18   8.990  22.180 -18.997
  142   HH22  ARG  18          2HH2      ARG  18   8.623  23.582 -19.956
  143    H    LYS  19           HN       LYS  19   4.818  19.540 -16.619
  144    HA   LYS  19           HA       LYS  19   5.521  17.154 -15.052
  145    HB2  LYS  19          3HB       LYS  19   6.920  19.834 -15.150
  146    HB3  LYS  19          2HB       LYS  19   7.242  18.616 -13.924
  147    HG2  LYS  19          3HG       LYS  19   7.614  18.272 -16.892
  148    HG3  LYS  19          2HG       LYS  19   8.893  18.547 -15.707
  149    HD2  LYS  19          3HD       LYS  19   8.299  16.449 -14.587
  150    HD3  LYS  19          2HD       LYS  19   7.029  16.175 -15.779
  151    HE2  LYS  19          3HE       LYS  19   8.739  16.149 -17.551
  152    HE3  LYS  19          2HE       LYS  19   9.989  16.335 -16.323
  153    HZ1  LYS  19          1HZ       LYS  19   9.198  14.240 -15.329
  154    HZ2  LYS  19          2HZ       LYS  19   9.786  14.038 -16.901
  155    HZ3  LYS  19          3HZ       LYS  19   8.119  14.049 -16.619
  156    H    SER  20           HN       SER  20   3.992  20.296 -15.037
  157    HA   SER  20           HA       SER  20   2.095  19.778 -13.160
  158    HB2  SER  20          3HB       SER  20   3.913  19.464 -11.496
  159    HB3  SER  20          2HB       SER  20   4.459  21.111 -11.792
  160    HG   SER  20           HG       SER  20   1.795  20.598 -11.013
  161    H    HIS  21           HN       HIS  21   4.242  22.606 -12.859
  162    HA   HIS  21           HA       HIS  21   2.061  24.242 -13.987
  163    HB2  HIS  21          3HB       HIS  21   2.665  24.567 -11.547
  164    HB3  HIS  21          2HB       HIS  21   4.231  25.156 -12.088
  165    HD1  HIS  21          1HD       HIS  21   4.339  27.619 -12.141
  166    HD2  HIS  21          2HD       HIS  21   0.496  26.223 -12.916
  167    HE1  HIS  21          1HE       HIS  21   2.921  29.672 -12.461
  168    HE2  HIS  21          2HE       HIS  21   0.603  28.814 -12.964
  169    H    THR  22           HN       THR  22   4.712  22.849 -14.925
  170    HA   THR  22           HA       THR  22   6.705  24.599 -15.674
  171    HB   THR  22           HB       THR  22   6.590  23.008 -17.902
  172    HG1  THR  22          1HG       THR  22   4.829  21.807 -17.376
  173   HG21  THR  22          1HG2      THR  22   7.671  22.289 -15.170
  174   HG22  THR  22          2HG2      THR  22   8.496  23.236 -16.404
  175   HG23  THR  22          3HG2      THR  22   8.139  21.535 -16.691
  176    H    SER  23           HN       SER  23   3.987  23.827 -17.959
  177    HA   SER  23           HA       SER  23   4.227  26.586 -18.902
  178    HB2  SER  23          3HB       SER  23   5.465  24.932 -20.406
  179    HB3  SER  23          2HB       SER  23   3.888  24.253 -20.792
  180    HG   SER  23           HG       SER  23   3.352  26.559 -21.326
  181    H    LEU  24           HN       LEU  24   2.400  25.464 -17.088
  182    HA   LEU  24           HA       LEU  24  -0.094  25.623 -18.625
  183    HB2  LEU  24          3HB       LEU  24   0.651  23.253 -17.860
  184    HB3  LEU  24          2HB       LEU  24   0.204  23.793 -16.257
  185    HG   LEU  24           HG       LEU  24  -1.536  22.432 -17.420
  186   HD11  LEU  24          1HD1      LEU  24  -2.156  23.927 -15.602
  187   HD12  LEU  24          2HD1      LEU  24  -3.424  23.846 -16.825
  188   HD13  LEU  24          3HD1      LEU  24  -2.359  25.249 -16.752
  189   HD21  LEU  24          1HD2      LEU  24  -2.826  23.396 -19.209
  190   HD22  LEU  24          2HD2      LEU  24  -1.129  23.319 -19.683
  191   HD23  LEU  24          3HD2      LEU  24  -1.837  24.855 -19.182
  192    H    GLU  25           HN       GLU  25  -0.374  27.750 -18.000
  193    HA   GLU  25           HA       GLU  25  -0.670  28.262 -15.125
  194    HB2  GLU  25          3HB       GLU  25   0.749  29.829 -16.433
  195    HB3  GLU  25          2HB       GLU  25  -0.643  30.225 -17.428
  196    HG2  GLU  25          3HG       GLU  25  -0.357  31.958 -15.820
  197    HG3  GLU  25          2HG       GLU  25  -1.800  31.041 -15.391
  198    H    ASP  26           HN       ASP  26  -2.632  27.083 -14.971
  199    HA   ASP  26           HA       ASP  26  -4.958  28.644 -15.752
  200    HB2  ASP  26          3HB       ASP  26  -4.497  26.964 -17.592
  201    HB3  ASP  26          2HB       ASP  26  -4.829  25.698 -16.418
  202    H    ASP  27           HN       ASP  27  -6.948  27.730 -14.724
  203    HA   ASP  27           HA       ASP  27  -6.251  27.085 -11.973
  204    HB2  ASP  27          3HB       ASP  27  -8.869  27.987 -13.179
  205    HB3  ASP  27          2HB       ASP  27  -8.609  27.683 -11.465
  206    H    ASP  28           HN       ASP  28  -6.876  25.356 -14.595
  207    HA   ASP  28           HA       ASP  28  -8.807  23.503 -14.147
  208    HB2  ASP  28          3HB       ASP  28  -7.471  23.394 -16.135
  209    HB3  ASP  28          2HB       ASP  28  -6.019  23.062 -15.196
  210    H    ASP  29           HN       ASP  29  -5.494  23.016 -13.127
  211    HA   ASP  29           HA       ASP  29  -4.542  21.866 -11.406
  212    HB2  ASP  29          3HB       ASP  29  -5.697  23.740 -10.208
  213    HB3  ASP  29          2HB       ASP  29  -7.058  22.660  -9.924
  214    H    GLY  30           HN       GLY  30  -5.286  20.057 -12.995
  215    HA2  GLY  30          2HA       GLY  30  -7.365  18.318 -12.037
  216    HA3  GLY  30          1HA       GLY  30  -6.286  18.016 -13.387
  217    H    SER  31           HN       SER  31  -4.481  18.852 -10.729
  218    HA   SER  31           HA       SER  31  -3.397  16.216 -10.516
  219    HB2  SER  31          3HB       SER  31  -2.788  18.658  -8.840
  220    HB3  SER  31          2HB       SER  31  -1.774  17.228  -9.033
  221    HG   SER  31           HG       SER  31  -1.567  17.763 -11.247
  222    H    ARG  32           HN       ARG  32  -6.201  16.633  -9.593
  223    HA   ARG  32           HA       ARG  32  -5.891  15.766  -6.790
  224    HB2  ARG  32          3HB       ARG  32  -8.384  17.057  -7.894
  225    HB3  ARG  32          2HB       ARG  32  -7.940  16.818  -6.212
  226    HG2  ARG  32          3HG       ARG  32  -6.701  18.762  -8.146
  227    HG3  ARG  32          2HG       ARG  32  -7.737  19.139  -6.771
  228    HD2  ARG  32          3HD       ARG  32  -6.080  18.681  -5.228
  229    HD3  ARG  32          2HD       ARG  32  -5.197  17.631  -6.337
  230    HE   ARG  32           HE       ARG  32  -5.338  20.425  -7.104
  231   HH11  ARG  32          1HH1      ARG  32  -3.489  17.956  -5.416
  232   HH12  ARG  32          2HH1      ARG  32  -1.979  18.785  -5.615
  233   HH21  ARG  32          1HH2      ARG  32  -3.353  21.478  -7.397
  234   HH22  ARG  32          2HH2      ARG  32  -1.897  20.785  -6.740
  235    H    GLY  33           HN       GLY  33  -7.671  14.289  -6.077
  236    HA2  GLY  33          2HA       GLY  33  -9.207  12.938  -8.084
  237    HA3  GLY  33          1HA       GLY  33  -7.810  12.003  -7.570
  238    H    GLY  34           HN       GLY  34  -8.518  10.438  -6.295
  239    HA2  GLY  34          2HA       GLY  34 -10.504  11.148  -4.219
  240    HA3  GLY  34          1HA       GLY  34 -10.504   9.602  -5.059
  241    H    ASP  35           HN       ASP  35  -7.842   8.951  -5.046
  242    HA   ASP  35           HA       ASP  35  -7.351   8.637  -2.162
  243    HB2  ASP  35          3HB       ASP  35  -6.038   6.631  -2.727
  244    HB3  ASP  35          2HB       ASP  35  -7.698   6.500  -3.287
  245    H    CYS  36           HN       CYS  36  -6.558  10.744  -4.249
  246    HA   CYS  36           HA       CYS  36  -3.791  10.821  -4.519
  247    HB2  CYS  36          3HB       CYS  36  -4.109  13.324  -4.594
  248    HB3  CYS  36          2HB       CYS  36  -5.126  12.415  -5.707
  249    HG   CYS  36           HG       CYS  36  -6.212  13.576  -2.678
  250    H    GLU  37           HN       GLU  37  -2.246  10.863  -3.081
  251    HA   GLU  37           HA       GLU  37  -1.084  11.003  -1.136
  252    HB2  GLU  37          3HB       GLU  37  -1.782  13.471  -1.477
  253    HB3  GLU  37          2HB       GLU  37  -2.972  13.165  -0.221
  254    HG2  GLU  37          3HG       GLU  37  -1.274  12.684   1.377
  255    HG3  GLU  37          2HG       GLU  37  -0.024  12.699   0.133
  256    H    GLY  38           HN       GLY  38  -2.666   8.992  -1.249
  257    HA2  GLY  38          2HA       GLY  38  -3.760   8.557   1.385
  258    HA3  GLY  38          1HA       GLY  38  -4.955   8.662   0.086
  259    H    CYS  39           HN       CYS  39  -2.049   7.704  -1.073
  260    HA   CYS  39           HA       CYS  39  -1.915   4.988  -0.660
  261    HB2  CYS  39          3HB       CYS  39  -4.145   5.262  -2.022
  262    HB3  CYS  39          2HB       CYS  39  -3.082   5.653  -3.369
  263    H    SER  40           HN       SER  40  -0.664   4.238  -2.816
  264    HA   SER  40           HA       SER  40   1.227   4.335  -3.993
  265    HB2  SER  40          3HB       SER  40   1.408   6.075  -5.599
  266    HB3  SER  40          2HB       SER  40  -0.303   5.806  -5.275
  267    HG   SER  40           HG       SER  40  -0.434   7.688  -4.185
  268    H    GLY  41           HN       GLY  41   1.521   7.745  -3.127
  269    HA2  GLY  41          2HA       GLY  41   4.169   7.193  -2.007
  270    HA3  GLY  41          1HA       GLY  41   3.452   8.792  -2.130
  271    H    THR  42           HN       THR  42   1.305   6.619  -0.640
  272    HA   THR  42           HA       THR  42   1.786   7.799   1.949
  273    HB   THR  42           HB       THR  42  -0.168   5.656   1.088
  274    HG1  THR  42          1HG       THR  42  -0.569   8.423   1.660
  275   HG21  THR  42          1HG2      THR  42  -1.333   6.134   3.197
  276   HG22  THR  42          2HG2      THR  42  -0.039   7.237   3.662
  277   HG23  THR  42          3HG2      THR  42   0.291   5.513   3.492
  278    H    ALA  43           HN       ALA  43   2.663   6.834   3.721
  279    HA   ALA  43           HA       ALA  43   4.394   4.562   3.055
  280    HB1  ALA  43          1HB       ALA  43   5.488   6.550   3.912
  281    HB2  ALA  43          2HB       ALA  43   5.636   5.239   5.084
  282    HB3  ALA  43          3HB       ALA  43   4.469   6.533   5.349
  283    H    CYS  44           HN       CYS  44   4.168   2.706   3.780
  284    HA   CYS  44           HA       CYS  44   2.515   2.136   6.150
  285    HB2  CYS  44          3HB       CYS  44   2.224  -0.116   5.055
  286    HB3  CYS  44          2HB       CYS  44   1.428   1.222   4.231
  287    H    SER  45           HN       SER  45   3.659   1.323   7.784
  288    HA   SER  45           HA       SER  45   6.168  -0.049   7.212
  289    HB2  SER  45          3HB       SER  45   4.872   0.045   9.946
  290    HB3  SER  45          2HB       SER  45   6.581  -0.050   9.529
  291    HG   SER  45           HG       SER  45   5.823   2.165   8.441
  292    H    SER  46           HN       SER  46   2.828  -0.660   7.898
  293    HA   SER  46           HA       SER  46   3.371  -3.536   7.789
  294    HB2  SER  46          3HB       SER  46   1.069  -3.736   8.904
  295    HB3  SER  46          2HB       SER  46   2.407  -3.171   9.903
  296    HG   SER  46           HG       SER  46   1.159  -1.544  10.301
  297    H    ASP  47           HN       ASP  47   2.172  -4.797   6.432
  298    HA   ASP  47           HA       ASP  47   1.176  -3.756   4.060
  299    HB2  ASP  47          3HB       ASP  47   1.027  -6.434   5.363
  300    HB3  ASP  47          2HB       ASP  47   0.066  -6.121   3.922
  301    H    ALA  48           HN       ALA  48  -0.597  -4.594   7.037
  302    HA   ALA  48           HA       ALA  48  -3.100  -4.719   5.924
  303    HB1  ALA  48          1HB       ALA  48  -2.601  -5.533   8.157
  304    HB2  ALA  48          2HB       ALA  48  -3.957  -4.406   8.184
  305    HB3  ALA  48          3HB       ALA  48  -2.360  -3.876   8.711
  306    H    GLN  49           HN       GLN  49  -1.116  -2.000   6.438
  307    HA   GLN  49           HA       GLN  49  -3.192  -0.060   6.745
  308    HB2  GLN  49          3HB       GLN  49  -0.290   0.305   5.978
  309    HB3  GLN  49          2HB       GLN  49  -1.394   1.586   6.469
  310    HG2  GLN  49          3HG       GLN  49  -1.666   0.493   8.631
  311    HG3  GLN  49          2HG       GLN  49  -0.506  -0.737   8.143
  312   HE21  GLN  49          1HE2      GLN  49  -0.257   1.151  10.434
  313   HE22  GLN  49          2HE2      GLN  49   1.169   2.067  10.123
  314    H    CYS  50           HN       CYS  50  -1.463  -1.542   4.113
  315    HA   CYS  50           HA       CYS  50  -2.755   0.221   2.171
  316    HB2  CYS  50          3HB       CYS  50  -1.127  -2.251   1.618
  317    HB3  CYS  50          2HB       CYS  50  -1.585  -1.011   0.468
  318    H    ARG  51           HN       ARG  51  -2.888  -3.119   3.274
  319    HA   ARG  51           HA       ARG  51  -4.836  -4.095   1.571
  320    HB2  ARG  51          3HB       ARG  51  -4.351  -4.763   4.480
  321    HB3  ARG  51          2HB       ARG  51  -5.406  -5.679   3.426
  322    HG2  ARG  51          3HG       ARG  51  -2.430  -5.349   3.166
  323    HG3  ARG  51          2HG       ARG  51  -3.318  -6.812   3.594
  324    HD2  ARG  51          3HD       ARG  51  -3.589  -5.352   0.979
  325    HD3  ARG  51          2HD       ARG  51  -2.545  -6.748   1.238
  326    HE   ARG  51           HE       ARG  51  -5.161  -7.394   2.041
  327   HH11  ARG  51          1HH1      ARG  51  -3.337  -6.716  -0.865
  328   HH12  ARG  51          2HH1      ARG  51  -4.317  -7.739  -1.870
  329   HH21  ARG  51          1HH2      ARG  51  -6.460  -8.732   0.726
  330   HH22  ARG  51          2HH2      ARG  51  -6.101  -8.879  -0.966
  331    H    ALA  52           HN       ALA  52  -5.237  -2.534   4.730
  332    HA   ALA  52           HA       ALA  52  -8.096  -2.479   4.522
  333    HB1  ALA  52          1HB       ALA  52  -6.261  -0.985   6.393
  334    HB2  ALA  52          2HB       ALA  52  -6.992  -2.561   6.697
  335    HB3  ALA  52          3HB       ALA  52  -8.011  -1.128   6.557
  336    H    ARG  53           HN       ARG  53  -5.554  -0.610   3.260
  337    HA   ARG  53           HA       ARG  53  -7.088   1.811   3.035
  338    HB2  ARG  53          3HB       ARG  53  -4.549   1.705   3.163
  339    HB3  ARG  53          2HB       ARG  53  -4.608   1.200   1.479
  340    HG2  ARG  53          3HG       ARG  53  -4.183   3.554   1.570
  341    HG3  ARG  53          2HG       ARG  53  -5.809   3.296   0.936
  342    HD2  ARG  53          3HD       ARG  53  -6.705   3.728   3.213
  343    HD3  ARG  53          2HD       ARG  53  -5.070   4.109   3.747
  344    HE   ARG  53           HE       ARG  53  -5.792   5.665   1.480
  345   HH11  ARG  53          1HH1      ARG  53  -6.292   5.421   4.940
  346   HH12  ARG  53          2HH1      ARG  53  -6.641   7.110   5.133
  347   HH21  ARG  53          1HH2      ARG  53  -6.278   7.876   1.733
  348   HH22  ARG  53          2HH2      ARG  53  -6.630   8.506   3.312
  349    H    GLY  54           HN       GLY  54  -7.098  -1.098   1.476
  350    HA2  GLY  54          2HA       GLY  54  -8.190  -1.795  -0.434
  351    HA3  GLY  54          1HA       GLY  54  -8.691  -0.129  -0.708
  352    H    CYS  55           HN       CYS  55  -5.540   0.123  -0.156
  353    HA   CYS  55           HA       CYS  55  -4.831   0.666  -2.806
  354    HB2  CYS  55          3HB       CYS  55  -3.131   0.254  -0.350
  355    HB3  CYS  55          2HB       CYS  55  -2.415   0.570  -1.928
  356    H    ASP  56           HN       ASP  56  -3.186  -2.014  -0.999
  357    HA   ASP  56           HA       ASP  56  -3.951  -4.165  -2.470
  358    HB2  ASP  56          3HB       ASP  56  -3.285  -3.170  -4.556
  359    HB3  ASP  56          2HB       ASP  56  -1.737  -2.668  -3.899
  360    H    GLY  57           HN       GLY  57  -0.730  -2.648  -1.835
  361    HA2  GLY  57          2HA       GLY  57  -0.276  -4.485   0.326
  362    HA3  GLY  57          1HA       GLY  57   0.617  -4.921  -1.122
  363    H    CYS  58           HN       CYS  58   1.726  -4.178   1.368
  364    HA   CYS  58           HA       CYS  58   2.804  -1.509   0.968
  365    HB2  CYS  58          3HB       CYS  58   2.235  -2.476   3.239
  366    HB3  CYS  58          2HB       CYS  58   3.616  -3.554   3.042
  367    H    SER  59           HN       SER  59   4.662  -1.121  -0.148
  368    HA   SER  59           HA       SER  59   6.088  -3.504  -1.052
  369    HB2  SER  59          3HB       SER  59   6.162  -0.632  -1.965
  370    HB3  SER  59          2HB       SER  59   7.325  -1.831  -2.532
  371    HG   SER  59           HG       SER  59   5.373  -1.537  -3.844
  372    H    THR  60           HN       THR  60   8.505  -3.534  -1.032
  373    HA   THR  60           HA       THR  60   9.490  -3.523   1.505
  374    HB   THR  60           HB       THR  60  11.792  -3.038   0.197
  375    HG1  THR  60          1HG       THR  60  11.545  -3.620  -1.967
  376   HG21  THR  60          1HG2      THR  60  10.134  -5.555  -0.052
  377   HG22  THR  60          2HG2      THR  60  11.151  -5.126   1.322
  378   HG23  THR  60          3HG2      THR  60  11.881  -5.440  -0.251
  379    H    SER  61           HN       SER  61   9.468  -0.606  -0.564
  380    HA   SER  61           HA       SER  61  11.214   0.832   1.177
  381    HB2  SER  61          3HB       SER  61   9.455   1.871  -1.046
  382    HB3  SER  61          2HB       SER  61  10.816   2.712  -0.307
  383    HG   SER  61           HG       SER  61  12.158   0.997  -1.080
  384    H    GLY  62           HN       GLY  62   8.298  -0.188   1.925
  385    HA2  GLY  62          2HA       GLY  62   6.761   0.482   3.480
  386    HA3  GLY  62          1HA       GLY  62   7.815   1.839   3.843
  387    H    VAL  63           HN       VAL  63   6.184   0.984   0.813
  388    HA   VAL  63           HA       VAL  63   4.659   3.494   1.037
  389    HB   VAL  63           HB       VAL  63   4.746   3.723  -1.430
  390   HG11  VAL  63          1HG1      VAL  63   7.440   3.649  -0.082
  391   HG12  VAL  63          2HG1      VAL  63   6.290   4.988  -0.052
  392   HG13  VAL  63          3HG1      VAL  63   7.058   4.518  -1.568
  393   HG21  VAL  63          1HG2      VAL  63   6.408   2.463  -2.716
  394   HG22  VAL  63          2HG2      VAL  63   5.165   1.408  -2.046
  395   HG23  VAL  63          3HG2      VAL  63   6.759   1.482  -1.296
  396    H    CYS  64           HN       CYS  64   2.614   3.491  -0.112
  397    HA   CYS  64           HA       CYS  64   1.362   0.829   0.258
  398    HB2  CYS  64          3HB       CYS  64   0.554   3.482   1.188
  399    HB3  CYS  64          2HB       CYS  64  -0.689   2.785   0.175
  400    H    VAL  65           HN       VAL  65   1.024  -0.112  -1.661
  401    HA   VAL  65           HA       VAL  65   0.148   1.509  -3.937
  402    HB   VAL  65           HB       VAL  65   2.059   0.802  -5.334
  403   HG11  VAL  65          1HG1      VAL  65   3.857   2.104  -4.150
  404   HG12  VAL  65          2HG1      VAL  65   2.696   2.296  -2.834
  405   HG13  VAL  65          3HG1      VAL  65   2.331   2.934  -4.436
  406   HG21  VAL  65          1HG2      VAL  65   4.019  -0.223  -4.352
  407   HG22  VAL  65          2HG2      VAL  65   2.604  -1.249  -4.116
  408   HG23  VAL  65          3HG2      VAL  65   3.224  -0.280  -2.779
  409    H    LEU  66           HN       LEU  66   0.019   0.072  -5.968
  410    HA   LEU  66           HA       LEU  66  -0.646  -2.668  -5.487
  411    HB2  LEU  66          3HB       LEU  66  -1.139  -1.169  -7.569
  412    HB3  LEU  66          2HB       LEU  66   0.474  -1.616  -8.078
  413    HG   LEU  66           HG       LEU  66  -1.713  -3.618  -7.505
  414   HD11  LEU  66          1HD1      LEU  66  -2.373  -2.189  -9.352
  415   HD12  LEU  66          2HD1      LEU  66  -1.933  -3.791  -9.940
  416   HD13  LEU  66          3HD1      LEU  66  -0.813  -2.444 -10.131
  417   HD21  LEU  66          1HD2      LEU  66   0.923  -3.882  -8.950
  418   HD22  LEU  66          2HD2      LEU  66  -0.283  -5.152  -8.755
  419   HD23  LEU  66          3HD2      LEU  66   0.559  -4.512  -7.344
  420    H    SER  67           HN       SER  67   0.973  -3.533  -4.210
  421    HA   SER  67           HA       SER  67   3.682  -2.805  -4.302
  422    HB2  SER  67          3HB       SER  67   2.676  -3.897  -2.287
  423    HB3  SER  67          2HB       SER  67   2.627  -5.433  -3.169
  424    HG   SER  67           HG       SER  67   4.912  -3.905  -2.474
  425    H    SER  68           HN       SER  68   5.581  -4.311  -4.785
  426    HA   SER  68           HA       SER  68   5.059  -6.327  -6.811
  427    HB2  SER  68          3HB       SER  68   6.878  -3.957  -7.330
  428    HB3  SER  68          2HB       SER  68   6.622  -5.326  -8.412
  429    HG   SER  68           HG       SER  68   4.252  -4.270  -7.727
  430    H    LEU  69           HN       LEU  69   5.902  -7.901  -5.499
  431    HA   LEU  69           HA       LEU  69   8.437  -7.387  -4.157
  432    HB2  LEU  69          3HB       LEU  69   6.556  -9.740  -3.964
  433    HB3  LEU  69          2HB       LEU  69   8.001  -9.518  -2.997
  434    HG   LEU  69           HG       LEU  69   5.548  -7.754  -2.930
  435   HD11  LEU  69          1HD1      LEU  69   5.240  -8.682  -0.688
  436   HD12  LEU  69          2HD1      LEU  69   6.621  -9.750  -0.940
  437   HD13  LEU  69          3HD1      LEU  69   5.170  -9.937  -1.924
  438   HD21  LEU  69          1HD2      LEU  69   6.637  -6.695  -1.001
  439   HD22  LEU  69          2HD2      LEU  69   7.564  -6.469  -2.484
  440   HD23  LEU  69          3HD2      LEU  69   8.082  -7.662  -1.293
  441    H    HIS  70           HN       HIS  70  10.047  -7.571  -5.632
  442    HA   HIS  70           HA       HIS  70  10.214  -9.778  -7.461
  443    HB2  HIS  70          3HB       HIS  70  12.268  -7.750  -6.557
  444    HB3  HIS  70          2HB       HIS  70  12.601  -9.001  -7.745
  445    HD1  HIS  70          1HD       HIS  70  12.043  -8.482 -10.115
  446    HD2  HIS  70          2HD       HIS  70  10.236  -5.849  -7.456
  447    HE1  HIS  70          1HE       HIS  70  11.003  -6.693 -11.538
  448    HE2  HIS  70          2HE       HIS  70   9.824  -5.170  -9.912
  449    H    HIS  71           HN       HIS  71  10.948  -9.204  -4.187
  450    HA   HIS  71           HA       HIS  71  12.477 -11.713  -4.009
  451    HB2  HIS  71          3HB       HIS  71  12.372  -9.440  -2.007
  452    HB3  HIS  71          2HB       HIS  71  13.405 -10.863  -1.921
  453    HD1  HIS  71          1HD       HIS  71  13.640  -7.445  -2.712
  454    HD2  HIS  71          2HD       HIS  71  15.097 -10.908  -4.500
  455    HE1  HIS  71          1HE       HIS  71  15.547  -6.704  -4.173
  456    HE2  HIS  71          2HE       HIS  71  16.423  -8.814  -5.237
  457    H    HIS  72           HN       HIS  72  11.130 -13.305  -3.533
  458    HA   HIS  72           HA       HIS  72   8.564 -12.968  -2.415
  459    HB2  HIS  72          3HB       HIS  72   9.167 -14.843  -3.894
  460    HB3  HIS  72          2HB       HIS  72  10.245 -15.474  -2.656
  461    HD1  HIS  72          1HD       HIS  72   9.209 -16.858  -0.787
  462    HD2  HIS  72          2HD       HIS  72   6.391 -15.140  -3.316
  463    HE1  HIS  72          1HE       HIS  72   7.025 -17.943  -0.199
  464    HE2  HIS  72          2HE       HIS  72   5.376 -17.028  -1.864
  465    H    HIS  73           HN       HIS  73  11.646 -14.000  -1.033
  466    HA   HIS  73           HA       HIS  73  12.393 -14.252   1.083
  467    HB2  HIS  73          3HB       HIS  73   9.978 -12.566   1.719
  468    HB3  HIS  73          2HB       HIS  73  11.106 -13.117   2.951
  469    HD1  HIS  73          1HD       HIS  73  13.616 -12.225   2.690
  470    HD2  HIS  73          2HD       HIS  73  10.743 -10.315   0.371
  471    HE1  HIS  73          1HE       HIS  73  14.673 -10.070   1.945
  472    HE2  HIS  73          2HE       HIS  73  12.859  -8.860   0.689
  473    H    HIS  74           HN       HIS  74  12.444 -16.187   1.867
  474    HA   HIS  74           HA       HIS  74  11.918 -18.046   3.050
  475    HB2  HIS  74          3HB       HIS  74  10.604 -16.430   4.483
  476    HB3  HIS  74          2HB       HIS  74   9.184 -16.853   3.537
  477    HD1  HIS  74          1HD       HIS  74  11.370 -18.058   6.264
  478    HD2  HIS  74          2HD       HIS  74   8.219 -19.494   3.974
  479    HE1  HIS  74          1HE       HIS  74  10.539 -20.104   7.466
  480    HE2  HIS  74          2HE       HIS  74   8.499 -20.817   6.174
  481    H    HIS  75           HN       HIS  75  11.364 -20.021   2.353
  482    HA   HIS  75           HA       HIS  75   9.623 -20.193   0.014
  483    HB2  HIS  75          3HB       HIS  75  11.526 -22.174   1.275
  484    HB3  HIS  75          2HB       HIS  75  10.465 -22.581  -0.066
  485    HD1  HIS  75          1HD       HIS  75  11.591 -22.452  -2.247
  486    HD2  HIS  75          2HD       HIS  75  13.233 -19.782   0.479
  487    HE1  HIS  75          1HE       HIS  75  13.490 -21.339  -3.455
  488    HE2  HIS  75          2HE       HIS  75  14.376 -19.628  -1.835
  Start of MODEL   17
    1    H1   MET   1          1HT       MET   1 -14.435  -3.246  -4.112
    2    H2   MET   1          2HT       MET   1 -14.669  -2.861  -5.740
    3    H3   MET   1          3HT       MET   1 -13.110  -3.159  -5.161
    4    HA   MET   1           HA       MET   1 -15.311  -5.128  -5.296
    5    HB2  MET   1          3HB       MET   1 -14.048  -6.197  -7.071
    6    HB3  MET   1          2HB       MET   1 -14.384  -4.531  -7.509
    7    HG2  MET   1          3HG       MET   1 -11.768  -5.555  -6.427
    8    HG3  MET   1          2HG       MET   1 -12.119  -5.238  -8.123
    9    HE1  MET   1          1HE       MET   1  -9.632  -4.025  -6.463
   10    HE2  MET   1          2HE       MET   1  -9.617  -2.378  -7.094
   11    HE3  MET   1          3HE       MET   1  -9.902  -3.736  -8.181
   12    H    CYS   2           HN       CYS   2 -15.087  -6.829  -4.024
   13    HA   CYS   2           HA       CYS   2 -14.294  -8.253  -2.459
   14    HB2  CYS   2          3HB       CYS   2 -11.795  -8.047  -4.144
   15    HB3  CYS   2          2HB       CYS   2 -12.106  -9.297  -2.944
   16    HG   CYS   2           HG       CYS   2 -14.639  -9.208  -5.019
   17    H    GLU   3           HN       GLU   3 -10.974  -7.323  -2.620
   18    HA   GLU   3           HA       GLU   3 -11.202  -6.285   0.101
   19    HB2  GLU   3          3HB       GLU   3  -9.563  -8.123  -0.524
   20    HB3  GLU   3          2HB       GLU   3  -8.668  -6.906  -1.421
   21    HG2  GLU   3          3HG       GLU   3  -8.305  -5.636   0.616
   22    HG3  GLU   3          2HG       GLU   3  -9.251  -6.808   1.531
   23    H    PHE   4           HN       PHE   4 -12.292  -4.506  -1.348
   24    HA   PHE   4           HA       PHE   4 -10.551  -2.211  -1.227
   25    HB2  PHE   4          3HB       PHE   4 -10.138  -3.149  -3.539
   26    HB3  PHE   4          2HB       PHE   4 -11.852  -2.965  -3.874
   27    HD1  PHE   4          1HD       PHE   4 -12.615  -1.015  -4.842
   28    HD2  PHE   4          2HD       PHE   4  -8.863  -0.999  -2.848
   29    HE1  PHE   4          1HE       PHE   4 -12.207   1.273  -5.647
   30    HE2  PHE   4          2HE       PHE   4  -8.445   1.290  -3.645
   31    HZ   PHE   4           HZ       PHE   4 -10.116   2.430  -5.047
   32    H    ILE   5           HN       ILE   5 -12.133  -1.937   0.438
   33    HA   ILE   5           HA       ILE   5 -14.938  -2.002  -0.227
   34    HB   ILE   5           HB       ILE   5 -13.668  -1.159   2.395
   35   HG12  ILE   5          3HG1      ILE   5 -14.562  -3.543   3.035
   36   HG13  ILE   5          2HG1      ILE   5 -14.419  -3.853   1.309
   37   HG21  ILE   5          1HG2      ILE   5 -16.478  -2.042   1.731
   38   HG22  ILE   5          2HG2      ILE   5 -15.970  -0.409   2.164
   39   HG23  ILE   5          3HG2      ILE   5 -15.867  -1.709   3.352
   40   HD11  ILE   5          1HD1      ILE   5 -12.052  -3.384   1.388
   41   HD12  ILE   5          2HD1      ILE   5 -12.465  -4.608   2.587
   42   HD13  ILE   5          3HD1      ILE   5 -12.170  -2.944   3.092
   43    H    GLU   6           HN       GLU   6 -14.135  -0.344  -1.876
   44    HA   GLU   6           HA       GLU   6 -14.713   2.351  -0.792
   45    HB2  GLU   6          3HB       GLU   6 -13.115   1.610  -3.257
   46    HB3  GLU   6          2HB       GLU   6 -13.567   3.248  -2.817
   47    HG2  GLU   6          3HG       GLU   6 -11.899   1.451  -1.081
   48    HG3  GLU   6          2HG       GLU   6 -11.239   2.619  -2.226
   49    H    ASP   7           HN       ASP   7 -16.516   0.172  -1.670
   50    HA   ASP   7           HA       ASP   7 -17.636   1.065  -4.196
   51    HB2  ASP   7          3HB       ASP   7 -17.480  -1.355  -3.552
   52    HB3  ASP   7          2HB       ASP   7 -18.658  -1.048  -2.284
   53    H    SER   8           HN       SER   8 -17.872   1.992  -1.028
   54    HA   SER   8           HA       SER   8 -20.633   2.426  -0.679
   55    HB2  SER   8          3HB       SER   8 -18.330   3.924   0.583
   56    HB3  SER   8          2HB       SER   8 -19.980   3.822   1.200
   57    HG   SER   8           HG       SER   8 -19.318   2.112   2.209
   58    H    GLU   9           HN       GLU   9 -18.595   3.852  -2.870
   59    HA   GLU   9           HA       GLU   9 -19.347   6.540  -2.848
   60    HB2  GLU   9          3HB       GLU   9 -18.845   6.380  -5.378
   61    HB3  GLU   9          2HB       GLU   9 -17.545   6.080  -4.237
   62    HG2  GLU   9          3HG       GLU   9 -17.241   4.391  -5.760
   63    HG3  GLU   9          2HG       GLU   9 -18.203   3.587  -4.526
   64    H    ASP  10           HN       ASP  10 -20.923   3.718  -4.180
   65    HA   ASP  10           HA       ASP  10 -23.098   3.266  -4.577
   66    HB2  ASP  10          3HB       ASP  10 -23.408   4.635  -2.475
   67    HB3  ASP  10          2HB       ASP  10 -23.778   6.005  -3.516
   68    H    ILE  11           HN       ILE  11 -21.365   5.245  -6.327
   69    HA   ILE  11           HA       ILE  11 -23.231   6.788  -7.797
   70    HB   ILE  11           HB       ILE  11 -20.483   5.814  -8.600
   71   HG12  ILE  11          3HG1      ILE  11 -21.386   8.464  -7.445
   72   HG13  ILE  11          2HG1      ILE  11 -20.550   7.202  -6.547
   73   HG21  ILE  11          1HG2      ILE  11 -21.796   6.457 -10.552
   74   HG22  ILE  11          2HG2      ILE  11 -20.516   7.630 -10.244
   75   HG23  ILE  11          3HG2      ILE  11 -22.180   8.002  -9.796
   76   HD11  ILE  11          1HD1      ILE  11 -19.446   8.729  -8.892
   77   HD12  ILE  11          2HD1      ILE  11 -18.604   7.470  -7.989
   78   HD13  ILE  11          3HD1      ILE  11 -19.038   8.984  -7.195
   79    H    GLN  12           HN       GLN  12 -22.000   3.518  -8.109
   80    HA   GLN  12           HA       GLN  12 -23.118   2.967 -10.640
   81    HB2  GLN  12          3HB       GLN  12 -21.340   1.620  -9.818
   82    HB3  GLN  12          2HB       GLN  12 -22.200   1.270  -8.330
   83    HG2  GLN  12          3HG       GLN  12 -22.172  -0.638  -9.739
   84    HG3  GLN  12          2HG       GLN  12 -23.820  -0.052  -9.586
   85   HE21  GLN  12          1HE2      GLN  12 -21.390   1.403 -11.660
   86   HE22  GLN  12          2HE2      GLN  12 -22.144   0.974 -13.156
   87    H    GLY  13           HN       GLY  13 -24.421   3.128  -7.442
   88    HA2  GLY  13          2HA       GLY  13 -26.782   1.562  -8.168
   89    HA3  GLY  13          1HA       GLY  13 -26.377   2.146  -6.562
   90    H    LEU  14           HN       LEU  14 -25.964   4.529  -8.905
   91    HA   LEU  14           HA       LEU  14 -27.070   6.420  -9.482
   92    HB2  LEU  14          3HB       LEU  14 -29.460   4.641  -9.041
   93    HB3  LEU  14          2HB       LEU  14 -29.619   6.310  -9.542
   94    HG   LEU  14           HG       LEU  14 -29.829   4.998 -11.494
   95   HD11  LEU  14          1HD1      LEU  14 -28.440   6.996 -11.740
   96   HD12  LEU  14          2HD1      LEU  14 -27.986   5.725 -12.872
   97   HD13  LEU  14          3HD1      LEU  14 -27.000   6.022 -11.443
   98   HD21  LEU  14          1HD2      LEU  14 -28.193   3.338 -12.206
   99   HD22  LEU  14          2HD2      LEU  14 -28.902   2.915 -10.650
  100   HD23  LEU  14          3HD2      LEU  14 -27.278   3.594 -10.722
  101    H    LYS  15           HN       LYS  15 -26.481   7.832  -7.928
  102    HA   LYS  15           HA       LYS  15 -27.731   7.759  -5.322
  103    HB2  LYS  15          3HB       LYS  15 -25.843   9.834  -6.435
  104    HB3  LYS  15          2HB       LYS  15 -26.255   9.576  -4.742
  105    HG2  LYS  15          3HG       LYS  15 -25.287   7.295  -4.928
  106    HG3  LYS  15          2HG       LYS  15 -24.743   7.720  -6.547
  107    HD2  LYS  15          3HD       LYS  15 -22.882   8.084  -5.149
  108    HD3  LYS  15          2HD       LYS  15 -23.551   9.690  -5.450
  109    HE2  LYS  15          3HE       LYS  15 -24.577   9.758  -3.307
  110    HE3  LYS  15          2HE       LYS  15 -24.250   8.049  -3.025
  111    HZ1  LYS  15          1HZ       LYS  15 -22.682   9.309  -1.792
  112    HZ2  LYS  15          2HZ       LYS  15 -22.274  10.256  -3.139
  113    HZ3  LYS  15          3HZ       LYS  15 -21.848   8.618  -3.097
  114    H    SER  16           HN       SER  16 -28.905   8.660  -8.136
  115    HA   SER  16           HA       SER  16 -30.214  11.101  -7.467
  116    HB2  SER  16          3HB       SER  16 -31.803  10.319  -9.331
  117    HB3  SER  16          2HB       SER  16 -30.116  10.578  -9.779
  118    HG   SER  16           HG       SER  16 -31.588   8.231  -9.649
  119    H    LEU  17           HN       LEU  17 -30.365   8.013  -6.290
  120    HA   LEU  17           HA       LEU  17 -33.159   8.114  -5.432
  121    HB2  LEU  17          3HB       LEU  17 -30.970   6.143  -4.788
  122    HB3  LEU  17          2HB       LEU  17 -32.660   5.957  -4.368
  123    HG   LEU  17           HG       LEU  17 -31.531   5.983  -7.170
  124   HD11  LEU  17          1HD1      LEU  17 -32.187   3.626  -7.189
  125   HD12  LEU  17          2HD1      LEU  17 -32.668   3.747  -5.498
  126   HD13  LEU  17          3HD1      LEU  17 -30.976   3.953  -5.952
  127   HD21  LEU  17          1HD2      LEU  17 -33.771   6.943  -7.078
  128   HD22  LEU  17          2HD2      LEU  17 -34.348   5.530  -6.196
  129   HD23  LEU  17          3HD2      LEU  17 -33.788   5.363  -7.858
  130    H    ARG  18           HN       ARG  18 -31.103  10.053  -4.674
  131    HA   ARG  18           HA       ARG  18 -29.941   9.931  -2.249
  132    HB2  ARG  18          3HB       ARG  18 -29.741  11.854  -3.679
  133    HB3  ARG  18          2HB       ARG  18 -31.443  12.236  -3.482
  134    HG2  ARG  18          3HG       ARG  18 -31.107  12.842  -1.190
  135    HG3  ARG  18          2HG       ARG  18 -29.432  12.286  -1.249
  136    HD2  ARG  18          3HD       ARG  18 -30.543  14.497  -2.963
  137    HD3  ARG  18          2HD       ARG  18 -29.699  14.758  -1.437
  138    HE   ARG  18           HE       ARG  18 -27.852  13.400  -2.661
  139   HH11  ARG  18          1HH1      ARG  18 -29.971  15.784  -4.096
  140   HH12  ARG  18          2HH1      ARG  18 -28.823  16.268  -5.300
  141   HH21  ARG  18          1HH2      ARG  18 -26.336  14.024  -4.242
  142   HH22  ARG  18          2HH2      ARG  18 -26.751  15.261  -5.385
  143    H    LYS  19           HN       LYS  19 -30.546   9.488  -0.281
  144    HA   LYS  19           HA       LYS  19 -33.375   9.723   0.462
  145    HB2  LYS  19          3HB       LYS  19 -31.103   8.094   1.614
  146    HB3  LYS  19          2HB       LYS  19 -32.673   8.216   2.385
  147    HG2  LYS  19          3HG       LYS  19 -32.123   7.065  -0.345
  148    HG3  LYS  19          2HG       LYS  19 -32.496   6.164   1.123
  149    HD2  LYS  19          3HD       LYS  19 -34.694   7.223   1.222
  150    HD3  LYS  19          2HD       LYS  19 -34.322   8.144  -0.234
  151    HE2  LYS  19          3HE       LYS  19 -35.703   6.216  -0.766
  152    HE3  LYS  19          2HE       LYS  19 -34.106   6.063  -1.499
  153    HZ1  LYS  19          1HZ       LYS  19 -33.476   4.608   0.354
  154    HZ2  LYS  19          2HZ       LYS  19 -34.769   3.984  -0.531
  155    HZ3  LYS  19          3HZ       LYS  19 -35.047   4.706   0.971
  156    H    SER  20           HN       SER  20 -33.998  10.882   2.294
  157    HA   SER  20           HA       SER  20 -32.161  13.089   2.807
  158    HB2  SER  20          3HB       SER  20 -34.583  13.484   2.205
  159    HB3  SER  20          2HB       SER  20 -35.025  12.830   3.786
  160    HG   SER  20           HG       SER  20 -33.258  14.565   4.392
  161    H    HIS  21           HN       HIS  21 -33.060  10.176   4.417
  162    HA   HIS  21           HA       HIS  21 -32.755  11.207   7.071
  163    HB2  HIS  21          3HB       HIS  21 -33.058   8.990   7.858
  164    HB3  HIS  21          2HB       HIS  21 -34.118   9.163   6.471
  165    HD1  HIS  21          1HD       HIS  21 -32.752   6.502   7.768
  166    HD2  HIS  21          2HD       HIS  21 -31.810   8.361   4.176
  167    HE1  HIS  21          1HE       HIS  21 -31.688   4.725   6.351
  168    HE2  HIS  21          2HE       HIS  21 -30.939   5.931   4.272
  169    H    THR  22           HN       THR  22 -30.555  11.158   4.818
  170    HA   THR  22           HA       THR  22 -28.387   9.581   5.822
  171    HB   THR  22           HB       THR  22 -27.101  11.443   4.385
  172    HG1  THR  22          1HG       THR  22 -29.340  11.525   2.823
  173   HG21  THR  22          1HG2      THR  22 -27.481  10.045   2.410
  174   HG22  THR  22          2HG2      THR  22 -28.845   9.265   3.210
  175   HG23  THR  22          3HG2      THR  22 -27.214   9.058   3.845
  176    H    SER  23           HN       SER  23 -29.599  11.896   7.719
  177    HA   SER  23           HA       SER  23 -27.127  13.357   8.166
  178    HB2  SER  23          3HB       SER  23 -29.821  13.673   9.509
  179    HB3  SER  23          2HB       SER  23 -28.447  14.772   9.650
  180    HG   SER  23           HG       SER  23 -28.637  14.946   7.267
  181    H    LEU  24           HN       LEU  24 -29.011  10.790   9.482
  182    HA   LEU  24           HA       LEU  24 -27.213  10.656  11.802
  183    HB2  LEU  24          3HB       LEU  24 -29.943   9.476  11.330
  184    HB3  LEU  24          2HB       LEU  24 -28.899   8.906  12.615
  185    HG   LEU  24           HG       LEU  24 -28.872  11.315  13.458
  186   HD11  LEU  24          1HD1      LEU  24 -31.238  11.519  11.603
  187   HD12  LEU  24          2HD1      LEU  24 -29.712  12.388  11.437
  188   HD13  LEU  24          3HD1      LEU  24 -30.764  12.709  12.814
  189   HD21  LEU  24          1HD2      LEU  24 -31.481   9.808  13.467
  190   HD22  LEU  24          2HD2      LEU  24 -30.976  11.026  14.638
  191   HD23  LEU  24          3HD2      LEU  24 -30.107   9.495  14.527
  192    H    GLU  25           HN       GLU  25 -28.741   8.613   9.333
  193    HA   GLU  25           HA       GLU  25 -26.476   6.758   9.615
  194    HB2  GLU  25          3HB       GLU  25 -29.355   6.189   8.900
  195    HB3  GLU  25          2HB       GLU  25 -28.060   5.014   8.723
  196    HG2  GLU  25          3HG       GLU  25 -28.947   6.297  11.297
  197    HG3  GLU  25          2HG       GLU  25 -29.307   4.653  10.773
  198    H    ASP  26           HN       ASP  26 -25.235   7.827   8.046
  199    HA   ASP  26           HA       ASP  26 -26.306   7.970   5.347
  200    HB2  ASP  26          3HB       ASP  26 -24.118   8.932   4.742
  201    HB3  ASP  26          2HB       ASP  26 -24.894   9.806   6.051
  202    H    ASP  27           HN       ASP  27 -25.688   6.753   3.683
  203    HA   ASP  27           HA       ASP  27 -24.396   4.224   4.348
  204    HB2  ASP  27          3HB       ASP  27 -25.967   5.106   1.923
  205    HB3  ASP  27          2HB       ASP  27 -25.158   3.548   2.036
  206    H    ASP  28           HN       ASP  28 -23.348   7.109   3.490
  207    HA   ASP  28           HA       ASP  28 -21.667   6.410   1.254
  208    HB2  ASP  28          3HB       ASP  28 -21.884   8.955   2.856
  209    HB3  ASP  28          2HB       ASP  28 -20.814   8.752   1.475
  210    H    ASP  29           HN       ASP  29 -21.146   7.520   4.542
  211    HA   ASP  29           HA       ASP  29 -19.377   7.428   5.958
  212    HB2  ASP  29          3HB       ASP  29 -19.523   5.007   5.738
  213    HB3  ASP  29          2HB       ASP  29 -18.547   5.058   4.273
  214    H    GLY  30           HN       GLY  30 -18.267   9.352   5.563
  215    HA2  GLY  30          2HA       GLY  30 -16.885   9.947   3.193
  216    HA3  GLY  30          1HA       GLY  30 -16.705  10.791   4.720
  217    H    SER  31           HN       SER  31 -15.981   7.789   5.594
  218    HA   SER  31           HA       SER  31 -13.161   8.228   5.583
  219    HB2  SER  31          3HB       SER  31 -14.560   5.627   6.212
  220    HB3  SER  31          2HB       SER  31 -13.017   6.208   6.838
  221    HG   SER  31           HG       SER  31 -15.627   6.888   7.569
  222    H    ARG  32           HN       ARG  32 -15.225   7.180   3.207
  223    HA   ARG  32           HA       ARG  32 -13.110   6.039   1.625
  224    HB2  ARG  32          3HB       ARG  32 -14.112   3.864   1.289
  225    HB3  ARG  32          2HB       ARG  32 -13.820   4.109   3.004
  226    HG2  ARG  32          3HG       ARG  32 -16.256   4.796   3.178
  227    HG3  ARG  32          2HG       ARG  32 -16.442   4.170   1.540
  228    HD2  ARG  32          3HD       ARG  32 -17.062   2.450   3.080
  229    HD3  ARG  32          2HD       ARG  32 -15.525   2.002   2.340
  230    HE   ARG  32           HE       ARG  32 -15.748   3.196   5.035
  231   HH11  ARG  32          1HH1      ARG  32 -14.263   0.952   2.785
  232   HH12  ARG  32          2HH1      ARG  32 -13.241   0.230   3.989
  233   HH21  ARG  32          1HH2      ARG  32 -14.373   2.267   6.606
  234   HH22  ARG  32          2HH2      ARG  32 -13.297   0.985   6.154
  235    H    GLY  33           HN       GLY  33 -13.984   5.332  -0.558
  236    HA2  GLY  33          2HA       GLY  33 -16.068   5.367  -1.945
  237    HA3  GLY  33          1HA       GLY  33 -16.369   6.950  -1.242
  238    H    GLY  34           HN       GLY  34 -13.398   5.497  -2.556
  239    HA2  GLY  34          2HA       GLY  34 -13.534   7.385  -4.784
  240    HA3  GLY  34          1HA       GLY  34 -12.139   7.485  -3.715
  241    H    ASP  35           HN       ASP  35 -11.584   6.987  -6.331
  242    HA   ASP  35           HA       ASP  35 -11.273   4.082  -6.571
  243    HB2  ASP  35          3HB       ASP  35 -10.751   4.523  -8.941
  244    HB3  ASP  35          2HB       ASP  35 -12.312   5.198  -8.491
  245    H    CYS  36           HN       CYS  36  -9.690   4.982  -4.668
  246    HA   CYS  36           HA       CYS  36  -7.196   6.034  -5.516
  247    HB2  CYS  36          3HB       CYS  36  -6.459   5.297  -3.196
  248    HB3  CYS  36          2HB       CYS  36  -7.807   6.427  -3.261
  249    HG   CYS  36           HG       CYS  36  -8.246   3.055  -2.915
  250    H    GLU  37           HN       GLU  37  -6.174   4.848  -7.060
  251    HA   GLU  37           HA       GLU  37  -5.370   2.120  -6.296
  252    HB2  GLU  37          3HB       GLU  37  -5.817   3.213  -9.086
  253    HB3  GLU  37          2HB       GLU  37  -5.236   1.600  -8.705
  254    HG2  GLU  37          3HG       GLU  37  -7.357   1.078  -7.631
  255    HG3  GLU  37          2HG       GLU  37  -7.939   2.706  -7.978
  256    H    GLY  38           HN       GLY  38  -4.083   4.552  -5.558
  257    HA2  GLY  38          2HA       GLY  38  -1.489   4.146  -6.569
  258    HA3  GLY  38          1HA       GLY  38  -2.213   5.551  -7.317
  259    H    CYS  39           HN       CYS  39  -2.609   4.386  -4.000
  260    HA   CYS  39           HA       CYS  39  -2.028   7.075  -3.060
  261    HB2  CYS  39          3HB       CYS  39  -2.714   5.826  -0.816
  262    HB3  CYS  39          2HB       CYS  39  -3.923   6.376  -1.972
  263    H    SER  40           HN       SER  40   0.206   5.943  -4.044
  264    HA   SER  40           HA       SER  40   1.668   4.558  -1.975
  265    HB2  SER  40          3HB       SER  40   3.534   4.709  -3.694
  266    HB3  SER  40          2HB       SER  40   2.086   3.819  -4.144
  267    HG   SER  40           HG       SER  40   1.775   5.151  -5.716
  268    H    GLY  41           HN       GLY  41   0.951   7.672  -2.700
  269    HA2  GLY  41          2HA       GLY  41   3.332   8.921  -1.596
  270    HA3  GLY  41          1HA       GLY  41   1.768   9.710  -1.738
  271    H    THR  42           HN       THR  42   1.373   6.776  -0.186
  272    HA   THR  42           HA       THR  42   1.632   8.026   2.463
  273    HB   THR  42           HB       THR  42  -0.232   5.765   1.678
  274    HG1  THR  42          1HG       THR  42  -0.669   8.573   1.892
  275   HG21  THR  42          1HG2      THR  42  -1.328   6.291   3.823
  276   HG22  THR  42          2HG2      THR  42  -0.078   7.490   4.152
  277   HG23  THR  42          3HG2      THR  42   0.346   5.782   4.043
  278    H    ALA  43           HN       ALA  43   2.580   6.704   4.086
  279    HA   ALA  43           HA       ALA  43   4.118   4.445   2.964
  280    HB1  ALA  43          1HB       ALA  43   5.861   4.980   4.570
  281    HB2  ALA  43          2HB       ALA  43   4.883   6.290   5.231
  282    HB3  ALA  43          3HB       ALA  43   5.491   6.392   3.579
  283    H    CYS  44           HN       CYS  44   3.149   2.661   3.510
  284    HA   CYS  44           HA       CYS  44   2.564   2.251   6.371
  285    HB2  CYS  44          3HB       CYS  44   1.493   0.135   5.520
  286    HB3  CYS  44          2HB       CYS  44   0.710   1.637   5.038
  287    H    SER  45           HN       SER  45   3.978   1.220   7.553
  288    HA   SER  45           HA       SER  45   6.171  -0.200   6.290
  289    HB2  SER  45          3HB       SER  45   5.668  -0.097   9.278
  290    HB3  SER  45          2HB       SER  45   7.192  -0.321   8.422
  291    HG   SER  45           HG       SER  45   6.565   1.920   7.535
  292    H    SER  46           HN       SER  46   3.099  -0.787   7.670
  293    HA   SER  46           HA       SER  46   3.595  -3.659   7.444
  294    HB2  SER  46          3HB       SER  46   1.309  -2.281   8.861
  295    HB3  SER  46          2HB       SER  46   1.688  -4.003   8.897
  296    HG   SER  46           HG       SER  46   3.864  -2.706   9.643
  297    H    ASP  47           HN       ASP  47   2.424  -4.793   6.058
  298    HA   ASP  47           HA       ASP  47   1.413  -3.591   3.779
  299    HB2  ASP  47          3HB       ASP  47   2.447  -5.792   3.792
  300    HB3  ASP  47          2HB       ASP  47   1.127  -6.432   4.762
  301    H    ALA  48           HN       ALA  48  -0.368  -5.167   6.455
  302    HA   ALA  48           HA       ALA  48  -2.764  -5.381   5.175
  303    HB1  ALA  48          1HB       ALA  48  -2.266  -5.054   8.116
  304    HB2  ALA  48          2HB       ALA  48  -2.183  -6.568   7.216
  305    HB3  ALA  48          3HB       ALA  48  -3.722  -5.724   7.381
  306    H    GLN  49           HN       GLN  49  -1.377  -2.547   6.653
  307    HA   GLN  49           HA       GLN  49  -3.917  -1.435   7.351
  308    HB2  GLN  49          3HB       GLN  49  -2.702   0.506   8.139
  309    HB3  GLN  49          2HB       GLN  49  -1.967  -0.971   8.733
  310    HG2  GLN  49          3HG       GLN  49  -0.236  -0.773   6.985
  311    HG3  GLN  49          2HG       GLN  49  -0.957   0.756   6.488
  312   HE21  GLN  49          1HE2      GLN  49  -0.768  -0.300   9.809
  313   HE22  GLN  49          2HE2      GLN  49   0.379   0.890  10.322
  314    H    CYS  50           HN       CYS  50  -1.664  -1.016   4.658
  315    HA   CYS  50           HA       CYS  50  -3.499   1.030   3.608
  316    HB2  CYS  50          3HB       CYS  50  -0.747   0.254   2.711
  317    HB3  CYS  50          2HB       CYS  50  -1.826   1.164   1.677
  318    H    ARG  51           HN       ARG  51  -2.169  -2.126   2.813
  319    HA   ARG  51           HA       ARG  51  -3.516  -2.790   0.558
  320    HB2  ARG  51          3HB       ARG  51  -2.138  -4.433   1.433
  321    HB3  ARG  51          2HB       ARG  51  -2.827  -4.304   3.041
  322    HG2  ARG  51          3HG       ARG  51  -4.943  -5.162   1.973
  323    HG3  ARG  51          2HG       ARG  51  -3.913  -5.680   0.636
  324    HD2  ARG  51          3HD       ARG  51  -2.500  -6.865   2.267
  325    HD3  ARG  51          2HD       ARG  51  -3.659  -6.412   3.530
  326    HE   ARG  51           HE       ARG  51  -5.119  -7.670   1.534
  327   HH11  ARG  51          1HH1      ARG  51  -2.530  -8.529   3.742
  328   HH12  ARG  51          2HH1      ARG  51  -2.979 -10.204   3.810
  329   HH21  ARG  51          1HH2      ARG  51  -5.709  -9.862   1.642
  330   HH22  ARG  51          2HH2      ARG  51  -4.779 -10.964   2.610
  331    H    ALA  52           HN       ALA  52  -4.829  -3.160   3.890
  332    HA   ALA  52           HA       ALA  52  -7.423  -3.869   2.868
  333    HB1  ALA  52          1HB       ALA  52  -6.605  -3.130   5.677
  334    HB2  ALA  52          2HB       ALA  52  -6.629  -4.762   5.008
  335    HB3  ALA  52          3HB       ALA  52  -8.135  -3.864   5.200
  336    H    ARG  53           HN       ARG  53  -5.715  -1.024   3.360
  337    HA   ARG  53           HA       ARG  53  -8.137   0.573   3.533
  338    HB2  ARG  53          3HB       ARG  53  -5.999   1.188   4.777
  339    HB3  ARG  53          2HB       ARG  53  -5.375   1.690   3.211
  340    HG2  ARG  53          3HG       ARG  53  -7.239   3.273   2.992
  341    HG3  ARG  53          2HG       ARG  53  -7.815   2.795   4.589
  342    HD2  ARG  53          3HD       ARG  53  -5.734   3.580   5.583
  343    HD3  ARG  53          2HD       ARG  53  -5.130   4.027   3.987
  344    HE   ARG  53           HE       ARG  53  -7.633   5.269   4.595
  345   HH11  ARG  53          1HH1      ARG  53  -4.177   5.502   5.115
  346   HH12  ARG  53          2HH1      ARG  53  -4.213   7.213   5.401
  347   HH21  ARG  53          1HH2      ARG  53  -7.681   7.508   4.960
  348   HH22  ARG  53          2HH2      ARG  53  -6.206   8.357   5.310
  349    H    GLY  54           HN       GLY  54  -7.314  -1.112   1.195
  350    HA2  GLY  54          2HA       GLY  54  -8.271  -0.888  -0.919
  351    HA3  GLY  54          1HA       GLY  54  -8.333   0.851  -0.685
  352    H    CYS  55           HN       CYS  55  -5.451   0.942   0.117
  353    HA   CYS  55           HA       CYS  55  -4.363   1.621  -2.310
  354    HB2  CYS  55          3HB       CYS  55  -3.017   0.778   0.240
  355    HB3  CYS  55          2HB       CYS  55  -2.082   1.232  -1.182
  356    H    ASP  56           HN       ASP  56  -3.393  -1.507  -0.697
  357    HA   ASP  56           HA       ASP  56  -4.202  -3.415  -2.366
  358    HB2  ASP  56          3HB       ASP  56  -2.270  -1.808  -3.895
  359    HB3  ASP  56          2HB       ASP  56  -1.806  -3.497  -3.755
  360    H    GLY  57           HN       GLY  57  -1.028  -2.086  -1.452
  361    HA2  GLY  57          2HA       GLY  57  -0.660  -3.960   0.625
  362    HA3  GLY  57          1HA       GLY  57   0.298  -4.370  -0.790
  363    H    CYS  58           HN       CYS  58   1.820  -3.958   1.055
  364    HA   CYS  58           HA       CYS  58   2.893  -1.257   0.606
  365    HB2  CYS  58          3HB       CYS  58   3.356  -2.971   3.057
  366    HB3  CYS  58          2HB       CYS  58   3.852  -1.296   2.813
  367    H    SER  59           HN       SER  59   4.973  -1.138  -0.160
  368    HA   SER  59           HA       SER  59   6.074  -3.797  -0.819
  369    HB2  SER  59          3HB       SER  59   6.241  -1.208  -2.363
  370    HB3  SER  59          2HB       SER  59   7.114  -2.678  -2.797
  371    HG   SER  59           HG       SER  59   4.293  -2.498  -2.518
  372    H    THR  60           HN       THR  60   8.534  -3.437  -1.567
  373    HA   THR  60           HA       THR  60  10.076  -3.312   0.675
  374    HB   THR  60           HB       THR  60  11.903  -2.446  -1.078
  375    HG1  THR  60          1HG       THR  60  11.051  -2.227  -2.992
  376   HG21  THR  60          1HG2      THR  60  12.204  -4.794  -1.740
  377   HG22  THR  60          2HG2      THR  60  10.604  -5.174  -1.107
  378   HG23  THR  60          3HG2      THR  60  11.879  -4.642  -0.014
  379    H    SER  61           HN       SER  61   8.994  -0.392  -1.075
  380    HA   SER  61           HA       SER  61  10.939   1.212   0.316
  381    HB2  SER  61          3HB       SER  61  10.341   1.670  -2.072
  382    HB3  SER  61          2HB       SER  61   8.736   2.152  -1.527
  383    HG   SER  61           HG       SER  61   9.973   3.675  -0.111
  384    H    GLY  62           HN       GLY  62   8.212  -0.153   1.323
  385    HA2  GLY  62          2HA       GLY  62   6.910   0.212   3.177
  386    HA3  GLY  62          1HA       GLY  62   7.979   1.547   3.576
  387    H    VAL  63           HN       VAL  63   6.232   1.332   0.583
  388    HA   VAL  63           HA       VAL  63   4.606   3.649   1.394
  389    HB   VAL  63           HB       VAL  63   4.544   4.297  -0.979
  390   HG11  VAL  63          1HG1      VAL  63   6.255   5.199   0.486
  391   HG12  VAL  63          2HG1      VAL  63   6.859   5.021  -1.164
  392   HG13  VAL  63          3HG1      VAL  63   7.325   3.857   0.076
  393   HG21  VAL  63          1HG2      VAL  63   4.823   1.999  -1.907
  394   HG22  VAL  63          2HG2      VAL  63   6.529   2.082  -1.468
  395   HG23  VAL  63          3HG2      VAL  63   5.867   3.207  -2.649
  396    H    CYS  64           HN       CYS  64   2.481   3.765   0.064
  397    HA   CYS  64           HA       CYS  64   1.287   1.103   0.401
  398    HB2  CYS  64          3HB       CYS  64  -0.079   3.810   0.200
  399    HB3  CYS  64          2HB       CYS  64  -0.803   2.302   0.682
  400    H    VAL  65           HN       VAL  65   0.976  -0.037  -1.398
  401    HA   VAL  65           HA       VAL  65   0.488   1.159  -3.986
  402    HB   VAL  65           HB       VAL  65   2.776   1.883  -3.589
  403   HG11  VAL  65          1HG1      VAL  65   4.583   0.265  -3.167
  404   HG12  VAL  65          2HG1      VAL  65   3.360  -0.995  -2.979
  405   HG13  VAL  65          3HG1      VAL  65   3.399   0.373  -1.864
  406   HG21  VAL  65          1HG2      VAL  65   2.960  -0.487  -5.427
  407   HG22  VAL  65          2HG2      VAL  65   4.021   0.914  -5.386
  408   HG23  VAL  65          3HG2      VAL  65   2.343   1.106  -5.889
  409    H    LEU  66           HN       LEU  66   0.487  -0.636  -5.696
  410    HA   LEU  66           HA       LEU  66  -0.319  -3.120  -4.706
  411    HB2  LEU  66          3HB       LEU  66  -0.251  -3.939  -6.961
  412    HB3  LEU  66          2HB       LEU  66  -0.885  -2.311  -6.975
  413    HG   LEU  66           HG       LEU  66   1.991  -2.925  -7.642
  414   HD11  LEU  66          1HD1      LEU  66  -0.356  -2.702  -9.522
  415   HD12  LEU  66          2HD1      LEU  66   0.564  -4.167  -9.178
  416   HD13  LEU  66          3HD1      LEU  66   1.339  -2.810  -9.997
  417   HD21  LEU  66          1HD2      LEU  66   1.536  -0.609  -7.078
  418   HD22  LEU  66          2HD2      LEU  66   0.203  -0.570  -8.231
  419   HD23  LEU  66          3HD2      LEU  66   1.859  -0.764  -8.804
  420    H    SER  67           HN       SER  67   0.870  -4.658  -3.752
  421    HA   SER  67           HA       SER  67   3.477  -4.220  -2.976
  422    HB2  SER  67          3HB       SER  67   2.301  -6.990  -3.187
  423    HB3  SER  67          2HB       SER  67   3.386  -6.337  -1.960
  424    HG   SER  67           HG       SER  67   1.399  -6.289  -1.041
  425    H    SER  68           HN       SER  68   5.207  -4.023  -4.531
  426    HA   SER  68           HA       SER  68   5.501  -5.919  -6.644
  427    HB2  SER  68          3HB       SER  68   7.579  -4.066  -5.447
  428    HB3  SER  68          2HB       SER  68   7.618  -4.811  -7.046
  429    HG   SER  68           HG       SER  68   5.493  -3.633  -7.299
  430    H    LEU  69           HN       LEU  69   5.242  -7.850  -5.376
  431    HA   LEU  69           HA       LEU  69   7.121  -8.512  -3.326
  432    HB2  LEU  69          3HB       LEU  69   6.046 -10.686  -3.250
  433    HB3  LEU  69          2HB       LEU  69   4.861  -9.402  -3.235
  434    HG   LEU  69           HG       LEU  69   5.530 -10.893  -5.767
  435   HD11  LEU  69          1HD1      LEU  69   4.873 -12.532  -4.080
  436   HD12  LEU  69          2HD1      LEU  69   3.624 -12.342  -5.311
  437   HD13  LEU  69          3HD1      LEU  69   3.423 -11.592  -3.727
  438   HD21  LEU  69          1HD2      LEU  69   4.292  -8.889  -6.162
  439   HD22  LEU  69          2HD2      LEU  69   3.180  -9.248  -4.844
  440   HD23  LEU  69          3HD2      LEU  69   3.170 -10.240  -6.300
  441    H    HIS  70           HN       HIS  70   8.979  -7.996  -4.713
  442    HA   HIS  70           HA       HIS  70   9.880 -10.436  -6.091
  443    HB2  HIS  70          3HB       HIS  70   9.332  -8.548  -7.671
  444    HB3  HIS  70          2HB       HIS  70  10.609  -7.615  -6.904
  445    HD1  HIS  70          1HD       HIS  70  12.814  -7.770  -8.025
  446    HD2  HIS  70          2HD       HIS  70  10.426 -11.071  -8.831
  447    HE1  HIS  70          1HE       HIS  70  14.114  -9.156  -9.668
  448    HE2  HIS  70          2HE       HIS  70  12.727 -11.233  -9.993
  449    H    HIS  71           HN       HIS  71  10.186  -8.869  -3.384
  450    HA   HIS  71           HA       HIS  71  12.893  -8.187  -3.110
  451    HB2  HIS  71          3HB       HIS  71  12.547  -8.273  -0.719
  452    HB3  HIS  71          2HB       HIS  71  11.129  -7.563  -1.473
  453    HD1  HIS  71          1HD       HIS  71  11.942  -9.779   1.129
  454    HD2  HIS  71          2HD       HIS  71   9.092  -9.849  -1.900
  455    HE1  HIS  71          1HE       HIS  71  10.162 -11.380   1.904
  456    HE2  HIS  71          2HE       HIS  71   8.384 -11.288   0.125
  457    H    HIS  72           HN       HIS  72  14.694  -9.344  -2.898
  458    HA   HIS  72           HA       HIS  72  14.470 -12.217  -3.202
  459    HB2  HIS  72          3HB       HIS  72  16.017 -10.886  -4.615
  460    HB3  HIS  72          2HB       HIS  72  16.933 -10.462  -3.176
  461    HD1  HIS  72          1HD       HIS  72  16.166 -13.383  -5.424
  462    HD2  HIS  72          2HD       HIS  72  18.725 -12.377  -2.312
  463    HE1  HIS  72          1HE       HIS  72  17.868 -15.226  -5.330
  464    HE2  HIS  72          2HE       HIS  72  19.536 -14.462  -3.606
  465    H    HIS  73           HN       HIS  73  13.779 -12.899  -1.197
  466    HA   HIS  73           HA       HIS  73  14.948 -12.262   1.274
  467    HB2  HIS  73          3HB       HIS  73  12.755 -13.379   1.021
  468    HB3  HIS  73          2HB       HIS  73  13.565 -14.826   0.435
  469    HD1  HIS  73          1HD       HIS  73  12.785 -12.928   3.549
  470    HD2  HIS  73          2HD       HIS  73  14.812 -16.382   2.432
  471    HE1  HIS  73          1HE       HIS  73  13.188 -14.196   5.681
  472    HE2  HIS  73          2HE       HIS  73  14.265 -16.356   4.959
  473    H    HIS  74           HN       HIS  74  16.666 -13.049   2.363
  474    HA   HIS  74           HA       HIS  74  18.663 -14.031   2.773
  475    HB2  HIS  74          3HB       HIS  74  17.415 -16.151   2.699
  476    HB3  HIS  74          2HB       HIS  74  17.646 -16.230   0.958
  477    HD1  HIS  74          1HD       HIS  74  19.484 -16.659   4.201
  478    HD2  HIS  74          2HD       HIS  74  20.140 -17.150   0.128
  479    HE1  HIS  74          1HE       HIS  74  21.637 -17.935   4.013
  480    HE2  HIS  74          2HE       HIS  74  21.893 -18.405   1.554
  481    H    HIS  75           HN       HIS  75  19.851 -12.433   1.806
  482    HA   HIS  75           HA       HIS  75  20.384 -12.461  -1.022
  483    HB2  HIS  75          3HB       HIS  75  21.621 -10.824   1.201
  484    HB3  HIS  75          2HB       HIS  75  21.907 -10.572  -0.515
  485    HD1  HIS  75          1HD       HIS  75  19.592  -9.739   2.199
  486    HD2  HIS  75          2HD       HIS  75  19.564  -9.669  -1.952
  487    HE1  HIS  75          1HE       HIS  75  17.653  -8.273   1.564
  488    HE2  HIS  75          2HE       HIS  75  17.526  -8.435  -0.945
  Start of MODEL   18
    1    H1   MET   1          1HT       MET   1  -4.489  -2.836 -24.844
    2    H2   MET   1          2HT       MET   1  -3.366  -3.266 -23.659
    3    H3   MET   1          3HT       MET   1  -2.909  -2.244 -24.931
    4    HA   MET   1           HA       MET   1  -3.188  -0.907 -23.031
    5    HB2  MET   1          3HB       MET   1  -5.421  -0.716 -25.038
    6    HB3  MET   1          2HB       MET   1  -5.250   0.459 -23.743
    7    HG2  MET   1          3HG       MET   1  -4.250   1.284 -25.781
    8    HG3  MET   1          2HG       MET   1  -3.018   1.028 -24.548
    9    HE1  MET   1          1HE       MET   1  -2.240   1.491 -27.540
   10    HE2  MET   1          2HE       MET   1  -1.041   0.226 -27.800
   11    HE3  MET   1          3HE       MET   1  -1.055   1.129 -26.286
   12    H    CYS   2           HN       CYS   2  -5.842  -3.158 -23.488
   13    HA   CYS   2           HA       CYS   2  -6.971  -2.422 -20.898
   14    HB2  CYS   2          3HB       CYS   2  -8.433  -2.905 -22.900
   15    HB3  CYS   2          2HB       CYS   2  -7.894  -4.577 -22.813
   16    HG   CYS   2           HG       CYS   2  -8.879  -4.116 -19.854
   17    H    GLU   3           HN       GLU   3  -4.643  -3.149 -20.250
   18    HA   GLU   3           HA       GLU   3  -4.248  -6.018 -20.136
   19    HB2  GLU   3          3HB       GLU   3  -2.497  -3.968 -18.809
   20    HB3  GLU   3          2HB       GLU   3  -2.054  -5.546 -19.440
   21    HG2  GLU   3          3HG       GLU   3  -2.779  -3.119 -21.059
   22    HG3  GLU   3          2HG       GLU   3  -1.163  -3.777 -20.826
   23    H    PHE   4           HN       PHE   4  -3.565  -7.005 -18.008
   24    HA   PHE   4           HA       PHE   4  -4.828  -5.687 -15.684
   25    HB2  PHE   4          3HB       PHE   4  -6.455  -7.290 -16.779
   26    HB3  PHE   4          2HB       PHE   4  -5.345  -8.591 -16.362
   27    HD1  PHE   4          1HD       PHE   4  -7.578  -6.003 -14.998
   28    HD2  PHE   4          2HD       PHE   4  -5.230  -9.449 -14.143
   29    HE1  PHE   4          1HE       PHE   4  -8.630  -6.165 -12.781
   30    HE2  PHE   4          2HE       PHE   4  -6.276  -9.614 -11.923
   31    HZ   PHE   4           HZ       PHE   4  -7.979  -7.971 -11.241
   32    H    ILE   5           HN       ILE   5  -2.849  -5.328 -14.803
   33    HA   ILE   5           HA       ILE   5  -0.858  -5.724 -13.630
   34    HB   ILE   5           HB       ILE   5  -2.700  -6.317 -12.032
   35   HG12  ILE   5          3HG1      ILE   5  -0.073  -7.778 -11.700
   36   HG13  ILE   5          2HG1      ILE   5  -0.384  -6.095 -11.289
   37   HG21  ILE   5          1HG2      ILE   5  -1.997  -9.154 -12.764
   38   HG22  ILE   5          2HG2      ILE   5  -3.535  -8.345 -13.061
   39   HG23  ILE   5          3HG2      ILE   5  -3.014  -8.667 -11.407
   40   HD11  ILE   5          1HD1      ILE   5  -1.692  -8.477 -10.003
   41   HD12  ILE   5          2HD1      ILE   5  -1.949  -6.787  -9.571
   42   HD13  ILE   5          3HD1      ILE   5  -0.369  -7.532  -9.322
   43    H    GLU   6           HN       GLU   6  -0.727  -6.811 -16.169
   44    HA   GLU   6           HA       GLU   6   0.351  -9.471 -15.849
   45    HB2  GLU   6          3HB       GLU   6  -1.251  -8.787 -17.728
   46    HB3  GLU   6          2HB       GLU   6   0.131  -7.964 -18.439
   47    HG2  GLU   6          3HG       GLU   6  -0.130 -10.123 -19.451
   48    HG3  GLU   6          2HG       GLU   6   1.348 -10.102 -18.487
   49    H    ASP   7           HN       ASP   7   1.351  -6.242 -16.212
   50    HA   ASP   7           HA       ASP   7   3.898  -6.728 -17.423
   51    HB2  ASP   7          3HB       ASP   7   2.842  -4.301 -15.964
   52    HB3  ASP   7          2HB       ASP   7   4.404  -4.363 -16.772
   53    H    SER   8           HN       SER   8   2.832  -7.566 -14.474
   54    HA   SER   8           HA       SER   8   4.992  -6.871 -12.794
   55    HB2  SER   8          3HB       SER   8   3.181  -9.295 -12.617
   56    HB3  SER   8          2HB       SER   8   4.138  -8.604 -11.307
   57    HG   SER   8           HG       SER   8   1.786  -8.031 -11.508
   58    H    GLU   9           HN       GLU   9   4.222 -10.011 -14.314
   59    HA   GLU   9           HA       GLU   9   7.016 -10.784 -14.037
   60    HB2  GLU   9          3HB       GLU   9   4.614 -12.368 -14.945
   61    HB3  GLU   9          2HB       GLU   9   6.233 -13.016 -14.735
   62    HG2  GLU   9          3HG       GLU   9   6.145 -12.436 -12.356
   63    HG3  GLU   9          2HG       GLU   9   4.504 -11.833 -12.578
   64    H    ASP  10           HN       ASP  10   4.824  -9.692 -16.476
   65    HA   ASP  10           HA       ASP  10   6.210 -10.880 -18.687
   66    HB2  ASP  10          3HB       ASP  10   3.777 -10.214 -18.717
   67    HB3  ASP  10          2HB       ASP  10   4.309  -8.536 -18.793
   68    H    ILE  11           HN       ILE  11   8.311 -10.305 -18.765
   69    HA   ILE  11           HA       ILE  11   8.986  -7.455 -18.809
   70    HB   ILE  11           HB       ILE  11  10.958  -9.733 -18.990
   71   HG12  ILE  11          3HG1      ILE  11   9.942  -8.412 -16.461
   72   HG13  ILE  11          2HG1      ILE  11   9.519 -10.039 -16.985
   73   HG21  ILE  11          1HG2      ILE  11  11.805  -7.513 -19.537
   74   HG22  ILE  11          2HG2      ILE  11  12.498  -8.082 -18.018
   75   HG23  ILE  11          3HG2      ILE  11  11.199  -6.889 -18.003
   76   HD11  ILE  11          1HD1      ILE  11  11.230 -10.099 -15.277
   77   HD12  ILE  11          2HD1      ILE  11  12.272  -9.067 -16.257
   78   HD13  ILE  11          3HD1      ILE  11  11.869 -10.692 -16.809
   79    H    GLN  12           HN       GLN  12   7.842  -9.583 -20.923
   80    HA   GLN  12           HA       GLN  12   9.694  -9.288 -23.105
   81    HB2  GLN  12          3HB       GLN  12   6.855 -10.315 -23.036
   82    HB3  GLN  12          2HB       GLN  12   7.869 -10.321 -24.466
   83    HG2  GLN  12          3HG       GLN  12   8.372 -11.846 -21.917
   84    HG3  GLN  12          2HG       GLN  12   7.813 -12.509 -23.448
   85   HE21  GLN  12          1HE2      GLN  12  10.521 -11.388 -21.632
   86   HE22  GLN  12          2HE2      GLN  12  11.743 -11.855 -22.769
   87    H    GLY  13           HN       GLY  13   6.769  -7.708 -22.004
   88    HA2  GLY  13          2HA       GLY  13   6.611  -6.064 -24.393
   89    HA3  GLY  13          1HA       GLY  13   5.555  -5.977 -22.992
   90    H    LEU  14           HN       LEU  14   8.977  -5.939 -22.490
   91    HA   LEU  14           HA       LEU  14   8.923  -3.461 -21.155
   92    HB2  LEU  14          3HB       LEU  14  11.219  -3.689 -20.824
   93    HB3  LEU  14          2HB       LEU  14  10.638  -5.339 -20.905
   94    HG   LEU  14           HG       LEU  14  11.952  -3.896 -23.211
   95   HD11  LEU  14          1HD1      LEU  14  13.924  -5.242 -22.695
   96   HD12  LEU  14          2HD1      LEU  14  13.119  -5.871 -21.258
   97   HD13  LEU  14          3HD1      LEU  14  13.516  -4.157 -21.366
   98   HD21  LEU  14          1HD2      LEU  14  12.201  -6.166 -24.131
   99   HD22  LEU  14          2HD2      LEU  14  10.511  -5.700 -23.939
  100   HD23  LEU  14          3HD2      LEU  14  11.260  -6.799 -22.781
  101    H    LYS  15           HN       LYS  15   9.220  -4.291 -24.457
  102    HA   LYS  15           HA       LYS  15  10.499  -1.996 -25.455
  103    HB2  LYS  15          3HB       LYS  15   9.306  -2.612 -27.612
  104    HB3  LYS  15          2HB       LYS  15  10.341  -3.847 -26.913
  105    HG2  LYS  15          3HG       LYS  15   8.465  -5.071 -26.096
  106    HG3  LYS  15          2HG       LYS  15   7.357  -3.759 -26.521
  107    HD2  LYS  15          3HD       LYS  15   7.900  -4.109 -28.893
  108    HD3  LYS  15          2HD       LYS  15   8.975  -5.433 -28.443
  109    HE2  LYS  15          3HE       LYS  15   6.849  -6.324 -29.164
  110    HE3  LYS  15          2HE       LYS  15   7.060  -6.613 -27.440
  111    HZ1  LYS  15          1HZ       LYS  15   5.618  -4.746 -26.971
  112    HZ2  LYS  15          2HZ       LYS  15   4.826  -5.847 -27.976
  113    HZ3  LYS  15          3HZ       LYS  15   5.451  -4.415 -28.622
  114    H    SER  16           HN       SER  16   7.397  -2.385 -24.084
  115    HA   SER  16           HA       SER  16   6.426   0.076 -25.333
  116    HB2  SER  16          3HB       SER  16   4.898  -1.888 -25.309
  117    HB3  SER  16          2HB       SER  16   4.960  -1.886 -23.548
  118    HG   SER  16           HG       SER  16   4.045   0.277 -25.146
  119    H    LEU  17           HN       LEU  17   7.311  -1.395 -22.305
  120    HA   LEU  17           HA       LEU  17   6.499   0.803 -20.661
  121    HB2  LEU  17          3HB       LEU  17   8.388  -1.456 -19.998
  122    HB3  LEU  17          2HB       LEU  17   7.567  -0.414 -18.854
  123    HG   LEU  17           HG       LEU  17   6.245  -2.429 -20.671
  124   HD11  LEU  17          1HD1      LEU  17   7.483  -3.472 -18.863
  125   HD12  LEU  17          2HD1      LEU  17   5.745  -3.616 -18.591
  126   HD13  LEU  17          3HD1      LEU  17   6.683  -2.424 -17.691
  127   HD21  LEU  17          1HD2      LEU  17   5.078  -0.595 -18.583
  128   HD22  LEU  17          2HD2      LEU  17   4.212  -1.908 -19.380
  129   HD23  LEU  17          3HD2      LEU  17   4.787  -0.535 -20.322
  130    H    ARG  18           HN       ARG  18   9.127   0.212 -22.654
  131    HA   ARG  18           HA       ARG  18  11.228   1.496 -21.301
  132    HB2  ARG  18          3HB       ARG  18  11.642   0.085 -23.223
  133    HB3  ARG  18          2HB       ARG  18  10.695   1.146 -24.254
  134    HG2  ARG  18          3HG       ARG  18  12.353   2.927 -23.924
  135    HG3  ARG  18          2HG       ARG  18  13.309   1.834 -22.922
  136    HD2  ARG  18          3HD       ARG  18  12.567   1.320 -25.798
  137    HD3  ARG  18          2HD       ARG  18  14.106   1.994 -25.271
  138    HE   ARG  18           HE       ARG  18  14.358  -0.155 -23.984
  139   HH11  ARG  18          1HH1      ARG  18  12.394   0.004 -26.880
  140   HH12  ARG  18          2HH1      ARG  18  12.681  -1.650 -27.315
  141   HH21  ARG  18          1HH2      ARG  18  14.739  -2.328 -24.557
  142   HH22  ARG  18          2HH2      ARG  18  14.004  -2.982 -25.988
  143    H    LYS  19           HN       LYS  19   8.441   2.767 -22.897
  144    HA   LYS  19           HA       LYS  19   9.721   5.354 -23.329
  145    HB2  LYS  19          3HB       LYS  19   7.102   4.188 -24.233
  146    HB3  LYS  19          2HB       LYS  19   7.444   5.906 -24.380
  147    HG2  LYS  19          3HG       LYS  19   9.372   5.437 -25.768
  148    HG3  LYS  19          2HG       LYS  19   9.116   3.704 -25.577
  149    HD2  LYS  19          3HD       LYS  19   6.985   3.865 -26.728
  150    HD3  LYS  19          2HD       LYS  19   7.169   5.617 -26.858
  151    HE2  LYS  19          3HE       LYS  19   9.124   5.343 -28.257
  152    HE3  LYS  19          2HE       LYS  19   9.058   3.595 -28.054
  153    HZ1  LYS  19          1HZ       LYS  19   6.981   3.542 -29.232
  154    HZ2  LYS  19          2HZ       LYS  19   8.137   4.342 -30.178
  155    HZ3  LYS  19          3HZ       LYS  19   6.953   5.227 -29.357
  156    H    SER  20           HN       SER  20   9.183   4.402 -20.645
  157    HA   SER  20           HA       SER  20   7.116   6.255 -19.708
  158    HB2  SER  20          3HB       SER  20   7.669   5.173 -17.472
  159    HB3  SER  20          2HB       SER  20   6.969   4.112 -18.693
  160    HG   SER  20           HG       SER  20   8.778   3.022 -18.816
  161    H    HIS  21           HN       HIS  21  10.520   6.133 -20.202
  162    HA   HIS  21           HA       HIS  21  10.952   8.265 -18.238
  163    HB2  HIS  21          3HB       HIS  21  13.320   7.940 -18.560
  164    HB3  HIS  21          2HB       HIS  21  12.575   6.373 -18.289
  165    HD1  HIS  21          1HD       HIS  21  12.888   4.620 -20.073
  166    HD2  HIS  21          2HD       HIS  21  14.183   8.380 -21.277
  167    HE1  HIS  21          1HE       HIS  21  14.122   4.250 -22.229
  168    HE2  HIS  21          2HE       HIS  21  15.057   6.507 -22.834
  169    H    THR  22           HN       THR  22   9.982   7.953 -21.337
  170    HA   THR  22           HA       THR  22  11.474   9.650 -22.941
  171    HB   THR  22           HB       THR  22   8.479   9.942 -23.067
  172    HG1  THR  22          1HG       THR  22   8.301   7.831 -23.122
  173   HG21  THR  22          1HG2      THR  22  10.641   9.501 -25.131
  174   HG22  THR  22          2HG2      THR  22   9.898  11.050 -24.731
  175   HG23  THR  22          3HG2      THR  22   8.929   9.771 -25.461
  176    H    SER  23           HN       SER  23   8.926  10.841 -20.632
  177    HA   SER  23           HA       SER  23  10.184  13.476 -20.934
  178    HB2  SER  23          3HB       SER  23   7.363  12.935 -20.010
  179    HB3  SER  23          2HB       SER  23   8.065  14.489 -20.460
  180    HG   SER  23           HG       SER  23   7.367  12.300 -22.116
  181    H    LEU  24           HN       LEU  24   8.538  11.308 -18.717
  182    HA   LEU  24           HA       LEU  24  10.334  11.602 -16.586
  183    HB2  LEU  24          3HB       LEU  24   9.484  13.878 -16.399
  184    HB3  LEU  24          2HB       LEU  24   7.833  13.291 -16.383
  185    HG   LEU  24           HG       LEU  24   8.271  12.180 -14.215
  186   HD11  LEU  24          1HD1      LEU  24  10.672  11.847 -14.447
  187   HD12  LEU  24          2HD1      LEU  24  10.295  12.735 -12.972
  188   HD13  LEU  24          3HD1      LEU  24  10.928  13.590 -14.376
  189   HD21  LEU  24          1HD2      LEU  24   8.328  14.224 -12.879
  190   HD22  LEU  24          2HD2      LEU  24   7.280  14.404 -14.286
  191   HD23  LEU  24          3HD2      LEU  24   8.888  15.130 -14.284
  192    H    GLU  25           HN       GLU  25   6.978  11.204 -17.492
  193    HA   GLU  25           HA       GLU  25   6.936   8.643 -16.094
  194    HB2  GLU  25          3HB       GLU  25   5.868  10.240 -14.572
  195    HB3  GLU  25          2HB       GLU  25   4.729  10.702 -15.817
  196    HG2  GLU  25          3HG       GLU  25   3.607   9.223 -14.366
  197    HG3  GLU  25          2HG       GLU  25   3.941   8.324 -15.845
  198    H    ASP  26           HN       ASP  26   5.017  10.735 -18.232
  199    HA   ASP  26           HA       ASP  26   4.068  10.439 -20.237
  200    HB2  ASP  26          3HB       ASP  26   5.899   8.065 -20.472
  201    HB3  ASP  26          2HB       ASP  26   5.050   8.846 -21.788
  202    H    ASP  27           HN       ASP  27   2.397   9.521 -21.204
  203    HA   ASP  27           HA       ASP  27   1.043   7.390 -19.746
  204    HB2  ASP  27          3HB       ASP  27  -0.246   9.423 -20.136
  205    HB3  ASP  27          2HB       ASP  27   0.031   9.293 -21.868
  206    H    ASP  28           HN       ASP  28   3.152   7.536 -22.164
  207    HA   ASP  28           HA       ASP  28   2.004   6.213 -24.331
  208    HB2  ASP  28          3HB       ASP  28   4.864   6.282 -23.389
  209    HB3  ASP  28          2HB       ASP  28   4.366   5.553 -24.913
  210    H    ASP  29           HN       ASP  29   3.390   4.982 -21.417
  211    HA   ASP  29           HA       ASP  29   2.556   2.277 -22.230
  212    HB2  ASP  29          3HB       ASP  29   4.283   1.345 -20.845
  213    HB3  ASP  29          2HB       ASP  29   5.025   2.558 -21.883
  214    H    GLY  30           HN       GLY  30   0.829   4.232 -21.124
  215    HA2  GLY  30          2HA       GLY  30   0.422   3.979 -18.353
  216    HA3  GLY  30          1HA       GLY  30  -0.808   4.421 -19.526
  217    H    SER  31           HN       SER  31  -0.095   1.749 -20.866
  218    HA   SER  31           HA       SER  31  -2.110   0.166 -19.653
  219    HB2  SER  31          3HB       SER  31   0.016  -0.620 -21.660
  220    HB3  SER  31          2HB       SER  31  -1.444  -1.536 -21.289
  221    HG   SER  31           HG       SER  31  -1.206   0.968 -22.578
  222    H    ARG  32           HN       ARG  32   1.065   0.749 -18.760
  223    HA   ARG  32           HA       ARG  32   2.053  -1.662 -17.861
  224    HB2  ARG  32          3HB       ARG  32   3.456  -0.449 -16.364
  225    HB3  ARG  32          2HB       ARG  32   3.233   0.568 -17.777
  226    HG2  ARG  32          3HG       ARG  32   1.633   1.944 -16.562
  227    HG3  ARG  32          2HG       ARG  32   1.765   0.884 -15.161
  228    HD2  ARG  32          3HD       ARG  32   3.143   2.707 -14.663
  229    HD3  ARG  32          2HD       ARG  32   4.249   1.436 -15.183
  230    HE   ARG  32           HE       ARG  32   4.031   2.678 -17.462
  231   HH11  ARG  32          1HH1      ARG  32   4.229   4.095 -14.266
  232   HH12  ARG  32          2HH1      ARG  32   4.918   5.592 -14.827
  233   HH21  ARG  32          1HH2      ARG  32   4.892   4.672 -18.219
  234   HH22  ARG  32          2HH2      ARG  32   5.250   5.936 -17.070
  235    H    GLY  33           HN       GLY  33   1.007  -3.165 -16.710
  236    HA2  GLY  33          2HA       GLY  33   0.103  -4.128 -14.813
  237    HA3  GLY  33          1HA       GLY  33   0.141  -2.553 -14.037
  238    H    GLY  34           HN       GLY  34  -1.419  -2.060 -16.872
  239    HA2  GLY  34          2HA       GLY  34  -3.653  -2.074 -17.511
  240    HA3  GLY  34          1HA       GLY  34  -4.044  -2.982 -16.059
  241    H    ASP  35           HN       ASP  35  -3.705  -1.642 -13.964
  242    HA   ASP  35           HA       ASP  35  -4.458   1.160 -14.354
  243    HB2  ASP  35          3HB       ASP  35  -6.098  -0.855 -12.808
  244    HB3  ASP  35          2HB       ASP  35  -6.277   0.884 -12.617
  245    H    CYS  36           HN       CYS  36  -2.126   1.143 -13.550
  246    HA   CYS  36           HA       CYS  36  -1.724   0.486 -10.783
  247    HB2  CYS  36          3HB       CYS  36   0.015   2.158 -12.619
  248    HB3  CYS  36          2HB       CYS  36   0.476   1.548 -11.035
  249    HG   CYS  36           HG       CYS  36   0.185  -0.130 -13.962
  250    H    GLU  37           HN       GLU  37  -3.330   1.608  -9.703
  251    HA   GLU  37           HA       GLU  37  -2.972   4.523  -9.554
  252    HB2  GLU  37          3HB       GLU  37  -5.255   3.639 -10.098
  253    HB3  GLU  37          2HB       GLU  37  -5.272   2.847  -8.530
  254    HG2  GLU  37          3HG       GLU  37  -4.972   5.112  -7.496
  255    HG3  GLU  37          2HG       GLU  37  -5.239   5.797  -9.099
  256    H    GLY  38           HN       GLY  38  -0.964   3.714  -8.375
  257    HA2  GLY  38          2HA       GLY  38  -1.289   2.468  -5.809
  258    HA3  GLY  38          1HA       GLY  38   0.205   3.158  -6.434
  259    H    CYS  39           HN       CYS  39  -1.309   3.335  -3.777
  260    HA   CYS  39           HA       CYS  39  -1.768   6.209  -3.572
  261    HB2  CYS  39          3HB       CYS  39  -1.796   4.169  -1.342
  262    HB3  CYS  39          2HB       CYS  39  -2.600   5.734  -1.386
  263    H    SER  40           HN       SER  40   0.683   5.943  -4.375
  264    HA   SER  40           HA       SER  40   2.565   4.917  -2.540
  265    HB2  SER  40          3HB       SER  40   4.181   6.030  -4.201
  266    HB3  SER  40          2HB       SER  40   3.108   4.753  -4.765
  267    HG   SER  40           HG       SER  40   3.271   7.294  -5.611
  268    H    GLY  41           HN       GLY  41   1.079   7.947  -2.842
  269    HA2  GLY  41          2HA       GLY  41   3.077   9.407  -1.314
  270    HA3  GLY  41          1HA       GLY  41   1.417   9.922  -1.540
  271    H    THR  42           HN       THR  42   1.690   6.740  -0.364
  272    HA   THR  42           HA       THR  42   1.237   7.696   2.392
  273    HB   THR  42           HB       THR  42  -0.068   5.309   1.063
  274    HG1  THR  42          1HG       THR  42  -0.812   7.473   0.414
  275   HG21  THR  42          1HG2      THR  42  -1.434   5.202   3.095
  276   HG22  THR  42          2HG2      THR  42  -0.518   6.542   3.785
  277   HG23  THR  42          3HG2      THR  42   0.276   5.000   3.471
  278    H    ALA  43           HN       ALA  43   2.521   6.822   3.895
  279    HA   ALA  43           HA       ALA  43   4.391   4.736   3.029
  280    HB1  ALA  43          1HB       ALA  43   5.344   6.820   3.932
  281    HB2  ALA  43          2HB       ALA  43   5.761   5.421   4.921
  282    HB3  ALA  43          3HB       ALA  43   4.503   6.535   5.456
  283    H    CYS  44           HN       CYS  44   4.187   2.793   3.623
  284    HA   CYS  44           HA       CYS  44   2.461   2.073   5.898
  285    HB2  CYS  44          3HB       CYS  44   2.455  -0.168   4.774
  286    HB3  CYS  44          2HB       CYS  44   1.702   1.119   3.839
  287    H    SER  45           HN       SER  45   3.481   1.437   7.672
  288    HA   SER  45           HA       SER  45   6.080   0.145   7.428
  289    HB2  SER  45          3HB       SER  45   5.816   0.020   9.985
  290    HB3  SER  45          2HB       SER  45   5.983   1.631   9.283
  291    HG   SER  45           HG       SER  45   4.259   1.850  10.563
  292    H    SER  46           HN       SER  46   2.721  -0.539   7.705
  293    HA   SER  46           HA       SER  46   3.347  -3.348   8.201
  294    HB2  SER  46          3HB       SER  46   0.771  -1.866   8.746
  295    HB3  SER  46          2HB       SER  46   1.070  -3.570   9.085
  296    HG   SER  46           HG       SER  46   2.729  -2.908  10.522
  297    H    ASP  47           HN       ASP  47   2.567  -4.859   6.834
  298    HA   ASP  47           HA       ASP  47   1.868  -4.197   4.211
  299    HB2  ASP  47          3HB       ASP  47   1.429  -6.665   3.973
  300    HB3  ASP  47          2HB       ASP  47   3.017  -6.239   4.590
  301    H    ALA  48           HN       ALA  48  -0.236  -5.406   6.873
  302    HA   ALA  48           HA       ALA  48  -2.438  -5.798   5.252
  303    HB1  ALA  48          1HB       ALA  48  -2.282  -5.337   8.210
  304    HB2  ALA  48          2HB       ALA  48  -2.210  -6.892   7.382
  305    HB3  ALA  48          3HB       ALA  48  -3.697  -5.945   7.351
  306    H    GLN  49           HN       GLN  49  -1.138  -2.879   6.524
  307    HA   GLN  49           HA       GLN  49  -3.670  -1.567   6.791
  308    HB2  GLN  49          3HB       GLN  49  -2.445   0.433   7.350
  309    HB3  GLN  49          2HB       GLN  49  -1.785  -0.932   8.231
  310    HG2  GLN  49          3HG       GLN  49   0.047  -1.054   6.573
  311    HG3  GLN  49          2HG       GLN  49  -0.593   0.407   5.821
  312   HE21  GLN  49          1HE2      GLN  49  -0.690  -0.117   9.266
  313   HE22  GLN  49          2HE2      GLN  49   0.493   1.078   9.680
  314    H    CYS  50           HN       CYS  50  -1.565  -2.280   4.265
  315    HA   CYS  50           HA       CYS  50  -2.629  -0.144   2.589
  316    HB2  CYS  50          3HB       CYS  50  -0.512  -2.217   2.014
  317    HB3  CYS  50          2HB       CYS  50  -1.361  -1.407   0.721
  318    H    ARG  51           HN       ARG  51  -3.082  -3.574   3.121
  319    HA   ARG  51           HA       ARG  51  -4.985  -3.825   1.002
  320    HB2  ARG  51          3HB       ARG  51  -4.414  -5.508   3.430
  321    HB3  ARG  51          2HB       ARG  51  -5.729  -5.871   2.330
  322    HG2  ARG  51          3HG       ARG  51  -4.207  -7.150   1.306
  323    HG3  ARG  51          2HG       ARG  51  -3.672  -5.626   0.593
  324    HD2  ARG  51          3HD       ARG  51  -1.759  -6.769   1.475
  325    HD3  ARG  51          2HD       ARG  51  -2.096  -5.360   2.487
  326    HE   ARG  51           HE       ARG  51  -3.419  -7.249   3.809
  327   HH11  ARG  51          1HH1      ARG  51  -0.200  -7.309   2.445
  328   HH12  ARG  51          2HH1      ARG  51   0.415  -8.418   3.631
  329   HH21  ARG  51          1HH2      ARG  51  -2.624  -8.709   5.354
  330   HH22  ARG  51          2HH2      ARG  51  -0.961  -9.201   5.295
  331    H    ALA  52           HN       ALA  52  -5.051  -3.067   4.415
  332    HA   ALA  52           HA       ALA  52  -7.908  -2.789   4.550
  333    HB1  ALA  52          1HB       ALA  52  -6.599  -3.316   6.545
  334    HB2  ALA  52          2HB       ALA  52  -7.510  -1.821   6.757
  335    HB3  ALA  52          3HB       ALA  52  -5.779  -1.761   6.424
  336    H    ARG  53           HN       ARG  53  -5.349  -0.927   3.350
  337    HA   ARG  53           HA       ARG  53  -6.658   1.619   3.561
  338    HB2  ARG  53          3HB       ARG  53  -4.134   1.137   3.261
  339    HB3  ARG  53          2HB       ARG  53  -4.526   0.968   1.558
  340    HG2  ARG  53          3HG       ARG  53  -3.691   3.200   2.105
  341    HG3  ARG  53          2HG       ARG  53  -5.344   3.244   1.486
  342    HD2  ARG  53          3HD       ARG  53  -4.818   4.697   3.514
  343    HD3  ARG  53          2HD       ARG  53  -6.245   3.671   3.606
  344    HE   ARG  53           HE       ARG  53  -4.965   2.150   4.998
  345   HH11  ARG  53          1HH1      ARG  53  -3.569   5.332   4.528
  346   HH12  ARG  53          2HH1      ARG  53  -2.657   5.278   6.005
  347   HH21  ARG  53          1HH2      ARG  53  -3.787   2.095   6.934
  348   HH22  ARG  53          2HH2      ARG  53  -2.782   3.439   7.373
  349    H    GLY  54           HN       GLY  54  -7.127  -1.119   1.708
  350    HA2  GLY  54          2HA       GLY  54  -8.549  -1.520  -0.071
  351    HA3  GLY  54          1HA       GLY  54  -8.920   0.200  -0.118
  352    H    CYS  55           HN       CYS  55  -5.819   0.399  -0.043
  353    HA   CYS  55           HA       CYS  55  -5.485   0.920  -2.791
  354    HB2  CYS  55          3HB       CYS  55  -3.441   0.786  -0.577
  355    HB3  CYS  55          2HB       CYS  55  -3.083   1.322  -2.218
  356    H    ASP  56           HN       ASP  56  -3.290  -1.462  -1.148
  357    HA   ASP  56           HA       ASP  56  -4.119  -3.675  -2.601
  358    HB2  ASP  56          3HB       ASP  56  -3.371  -2.597  -4.648
  359    HB3  ASP  56          2HB       ASP  56  -1.823  -2.180  -3.917
  360    H    GLY  57           HN       GLY  57  -0.913  -2.136  -1.936
  361    HA2  GLY  57          2HA       GLY  57  -0.442  -4.027   0.182
  362    HA3  GLY  57          1HA       GLY  57   0.398  -4.456  -1.296
  363    H    CYS  58           HN       CYS  58   1.542  -3.838   1.189
  364    HA   CYS  58           HA       CYS  58   2.757  -1.242   0.967
  365    HB2  CYS  58          3HB       CYS  58   2.312  -2.404   3.154
  366    HB3  CYS  58          2HB       CYS  58   3.568  -3.565   2.728
  367    H    SER  59           HN       SER  59   4.558  -0.772  -0.158
  368    HA   SER  59           HA       SER  59   5.981  -2.919  -1.488
  369    HB2  SER  59          3HB       SER  59   5.497  -0.819  -2.694
  370    HB3  SER  59          2HB       SER  59   6.443   0.081  -1.512
  371    HG   SER  59           HG       SER  59   7.270  -1.270  -3.699
  372    H    THR  60           HN       THR  60   8.328  -3.277  -1.194
  373    HA   THR  60           HA       THR  60   9.120  -3.369   1.487
  374    HB   THR  60           HB       THR  60  11.479  -3.634   0.238
  375    HG1  THR  60          1HG       THR  60  10.880  -4.649  -1.845
  376   HG21  THR  60          1HG2      THR  60  10.336  -5.361   1.532
  377   HG22  THR  60          2HG2      THR  60  10.939  -6.017   0.010
  378   HG23  THR  60          3HG2      THR  60   9.225  -5.643   0.192
  379    H    SER  61           HN       SER  61   8.861  -0.469  -0.019
  380    HA   SER  61           HA       SER  61  11.186   0.605   1.388
  381    HB2  SER  61          3HB       SER  61  11.322   0.821  -1.095
  382    HB3  SER  61          2HB       SER  61   9.842   1.775  -1.058
  383    HG   SER  61           HG       SER  61  12.266   2.444   0.267
  384    H    GLY  62           HN       GLY  62   8.319   0.097   2.239
  385    HA2  GLY  62          2HA       GLY  62   6.838   1.120   3.636
  386    HA3  GLY  62          1HA       GLY  62   8.027   2.395   3.827
  387    H    VAL  63           HN       VAL  63   6.399   1.465   0.815
  388    HA   VAL  63           HA       VAL  63   4.786   3.915   1.001
  389    HB   VAL  63           HB       VAL  63   5.028   4.312  -1.424
  390   HG11  VAL  63          1HG1      VAL  63   7.636   4.277   0.083
  391   HG12  VAL  63          2HG1      VAL  63   6.423   5.558   0.112
  392   HG13  VAL  63          3HG1      VAL  63   7.306   5.213  -1.375
  393   HG21  VAL  63          1HG2      VAL  63   7.191   2.219  -1.336
  394   HG22  VAL  63          2HG2      VAL  63   6.745   3.211  -2.723
  395   HG23  VAL  63          3HG2      VAL  63   5.611   2.017  -2.091
  396    H    CYS  64           HN       CYS  64   2.793   3.829  -0.386
  397    HA   CYS  64           HA       CYS  64   1.804   1.051  -0.105
  398    HB2  CYS  64          3HB       CYS  64   0.825   3.019   1.295
  399    HB3  CYS  64          2HB       CYS  64   0.021   3.475  -0.201
  400    H    VAL  65           HN       VAL  65   1.516   0.009  -1.987
  401    HA   VAL  65           HA       VAL  65   0.706   1.535  -4.359
  402    HB   VAL  65           HB       VAL  65   2.593   0.794  -5.681
  403   HG11  VAL  65          1HG1      VAL  65   2.912   2.831  -4.434
  404   HG12  VAL  65          2HG1      VAL  65   4.432   1.947  -4.572
  405   HG13  VAL  65          3HG1      VAL  65   3.518   1.908  -3.063
  406   HG21  VAL  65          1HG2      VAL  65   4.463  -0.465  -4.698
  407   HG22  VAL  65          2HG2      VAL  65   2.960  -1.390  -4.676
  408   HG23  VAL  65          3HG2      VAL  65   3.547  -0.628  -3.199
  409    H    LEU  66           HN       LEU  66   0.677  -0.155  -6.321
  410    HA   LEU  66           HA       LEU  66  -0.477  -2.652  -5.558
  411    HB2  LEU  66          3HB       LEU  66  -0.605  -1.390  -7.842
  412    HB3  LEU  66          2HB       LEU  66   0.941  -2.145  -8.169
  413    HG   LEU  66           HG       LEU  66  -1.574  -3.688  -7.521
  414   HD11  LEU  66          1HD1      LEU  66  -0.340  -3.067 -10.201
  415   HD12  LEU  66          2HD1      LEU  66  -1.876  -2.450  -9.589
  416   HD13  LEU  66          3HD1      LEU  66  -1.685  -4.172  -9.917
  417   HD21  LEU  66          1HD2      LEU  66   1.062  -4.568  -8.694
  418   HD22  LEU  66          2HD2      LEU  66  -0.351  -5.588  -8.429
  419   HD23  LEU  66          3HD2      LEU  66   0.502  -4.891  -7.053
  420    H    SER  67           HN       SER  67   0.917  -3.475  -4.023
  421    HA   SER  67           HA       SER  67   3.638  -3.299  -3.804
  422    HB2  SER  67          3HB       SER  67   3.408  -5.583  -2.565
  423    HB3  SER  67          2HB       SER  67   2.582  -4.162  -1.932
  424    HG   SER  67           HG       SER  67   0.801  -5.076  -3.466
  425    H    SER  68           HN       SER  68   5.075  -3.782  -5.597
  426    HA   SER  68           HA       SER  68   4.900  -6.295  -6.955
  427    HB2  SER  68          3HB       SER  68   7.284  -5.519  -7.672
  428    HB3  SER  68          2HB       SER  68   5.889  -4.593  -8.228
  429    HG   SER  68           HG       SER  68   7.899  -3.600  -7.012
  430    H    LEU  69           HN       LEU  69   4.743  -7.398  -4.769
  431    HA   LEU  69           HA       LEU  69   7.385  -8.220  -3.845
  432    HB2  LEU  69          3HB       LEU  69   6.665  -6.315  -2.425
  433    HB3  LEU  69          2HB       LEU  69   5.209  -7.198  -2.012
  434    HG   LEU  69           HG       LEU  69   6.601  -8.931  -0.920
  435   HD11  LEU  69          1HD1      LEU  69   8.655  -8.685  -2.154
  436   HD12  LEU  69          2HD1      LEU  69   8.966  -8.385  -0.445
  437   HD13  LEU  69          3HD1      LEU  69   8.850  -7.034  -1.570
  438   HD21  LEU  69          1HD2      LEU  69   7.221  -7.564   1.019
  439   HD22  LEU  69          2HD2      LEU  69   5.633  -7.131   0.387
  440   HD23  LEU  69          3HD2      LEU  69   7.026  -6.107   0.045
  441    H    HIS  70           HN       HIS  70   7.368 -10.273  -2.845
  442    HA   HIS  70           HA       HIS  70   5.128 -11.914  -3.676
  443    HB2  HIS  70          3HB       HIS  70   7.794 -12.643  -2.442
  444    HB3  HIS  70          2HB       HIS  70   6.571 -13.816  -2.920
  445    HD1  HIS  70          1HD       HIS  70   6.345 -14.337  -5.421
  446    HD2  HIS  70          2HD       HIS  70   9.136 -11.376  -4.585
  447    HE1  HIS  70          1HE       HIS  70   7.596 -13.963  -7.566
  448    HE2  HIS  70          2HE       HIS  70   9.135 -12.030  -7.087
  449    H    HIS  71           HN       HIS  71   3.704 -12.923  -2.376
  450    HA   HIS  71           HA       HIS  71   3.983 -12.577   0.533
  451    HB2  HIS  71          3HB       HIS  71   1.426 -12.144  -1.036
  452    HB3  HIS  71          2HB       HIS  71   1.604 -12.022   0.710
  453    HD1  HIS  71          1HD       HIS  71   1.816 -10.071  -2.367
  454    HD2  HIS  71          2HD       HIS  71   3.270  -9.762   1.517
  455    HE1  HIS  71          1HE       HIS  71   2.520  -7.674  -2.097
  456    HE2  HIS  71          2HE       HIS  71   3.267  -7.482   0.302
  457    H    HIS  72           HN       HIS  72   3.728 -14.451   1.583
  458    HA   HIS  72           HA       HIS  72   2.081 -16.548   0.381
  459    HB2  HIS  72          3HB       HIS  72   4.394 -16.921  -0.400
  460    HB3  HIS  72          2HB       HIS  72   4.946 -16.950   1.264
  461    HD1  HIS  72          1HD       HIS  72   5.340 -19.239   2.084
  462    HD2  HIS  72          2HD       HIS  72   2.307 -19.122  -0.766
  463    HE1  HIS  72          1HE       HIS  72   4.627 -21.628   1.752
  464    HE2  HIS  72          2HE       HIS  72   2.712 -21.523   0.118
  465    H    HIS  73           HN       HIS  73   4.373 -16.210   3.076
  466    HA   HIS  73           HA       HIS  73   2.569 -16.130   5.188
  467    HB2  HIS  73          3HB       HIS  73   1.974 -18.427   4.230
  468    HB3  HIS  73          2HB       HIS  73   3.572 -18.950   4.739
  469    HD1  HIS  73          1HD       HIS  73   3.321 -20.320   6.770
  470    HD2  HIS  73          2HD       HIS  73   0.716 -17.079   6.773
  471    HE1  HIS  73          1HE       HIS  73   2.066 -20.461   8.944
  472    HE2  HIS  73          2HE       HIS  73   0.594 -18.420   8.983
  473    H    HIS  74           HN       HIS  74   3.716 -15.958   7.148
  474    HA   HIS  74           HA       HIS  74   5.509 -15.377   8.410
  475    HB2  HIS  74          3HB       HIS  74   6.668 -17.685   6.871
  476    HB3  HIS  74          2HB       HIS  74   7.662 -16.762   7.990
  477    HD1  HIS  74          1HD       HIS  74   5.800 -19.740   7.907
  478    HD2  HIS  74          2HD       HIS  74   6.172 -16.655  10.667
  479    HE1  HIS  74          1HE       HIS  74   5.063 -20.707  10.111
  480    HE2  HIS  74          2HE       HIS  74   5.170 -18.788  11.734
  481    H    HIS  75           HN       HIS  75   5.163 -13.461   6.830
  482    HA   HIS  75           HA       HIS  75   7.507 -13.025   5.137
  483    HB2  HIS  75          3HB       HIS  75   5.310 -12.526   4.151
  484    HB3  HIS  75          2HB       HIS  75   4.980 -11.384   5.447
  485    HD1  HIS  75          1HD       HIS  75   7.208 -11.836   2.437
  486    HD2  HIS  75          2HD       HIS  75   6.021  -8.861   5.084
  487    HE1  HIS  75          1HE       HIS  75   8.086  -9.687   1.474
  488    HE2  HIS  75          2HE       HIS  75   7.544  -7.940   3.209
  Start of MODEL   19
    1    H1   MET   1          1HT       MET   1 -20.313  -8.922   4.700
    2    H2   MET   1          2HT       MET   1 -21.183  -8.072   3.527
    3    H3   MET   1          3HT       MET   1 -21.918  -8.479   4.991
    4    HA   MET   1           HA       MET   1 -21.293  -6.140   4.883
    5    HB2  MET   1          3HB       MET   1 -19.849  -7.859   6.906
    6    HB3  MET   1          2HB       MET   1 -19.979  -6.113   7.032
    7    HG2  MET   1          3HG       MET   1 -21.630  -7.086   8.435
    8    HG3  MET   1          2HG       MET   1 -22.445  -6.347   7.060
    9    HE1  MET   1          1HE       MET   1 -20.527  -9.813   7.332
   10    HE2  MET   1          2HE       MET   1 -21.880 -10.892   7.670
   11    HE3  MET   1          3HE       MET   1 -21.416  -9.663   8.846
   12    H    CYS   2           HN       CYS   2 -20.050  -6.278   2.732
   13    HA   CYS   2           HA       CYS   2 -17.159  -6.291   3.101
   14    HB2  CYS   2          3HB       CYS   2 -17.093  -6.125   0.620
   15    HB3  CYS   2          2HB       CYS   2 -17.988  -7.526   1.193
   16    HG   CYS   2           HG       CYS   2 -18.996  -5.878  -1.138
   17    H    GLU   3           HN       GLU   3 -16.309  -4.513   1.210
   18    HA   GLU   3           HA       GLU   3 -16.572  -2.043   2.594
   19    HB2  GLU   3          3HB       GLU   3 -15.143  -2.875   0.088
   20    HB3  GLU   3          2HB       GLU   3 -15.227  -1.185   0.558
   21    HG2  GLU   3          3HG       GLU   3 -13.146  -2.170   1.281
   22    HG3  GLU   3          2HG       GLU   3 -14.125  -1.714   2.671
   23    H    PHE   4           HN       PHE   4 -17.398  -0.094   1.864
   24    HA   PHE   4           HA       PHE   4 -19.213  -0.193  -0.466
   25    HB2  PHE   4          3HB       PHE   4 -20.502  -0.366   1.664
   26    HB3  PHE   4          2HB       PHE   4 -19.779   1.143   2.208
   27    HD1  PHE   4          1HD       PHE   4 -20.871   3.129   1.804
   28    HD2  PHE   4          2HD       PHE   4 -21.801  -0.262  -0.589
   29    HE1  PHE   4          1HE       PHE   4 -22.683   4.395   0.725
   30    HE2  PHE   4          2HE       PHE   4 -23.615   0.995  -1.673
   31    HZ   PHE   4           HZ       PHE   4 -24.058   3.328  -1.018
   32    H    ILE   5           HN       ILE   5 -19.531   1.947  -1.419
   33    HA   ILE   5           HA       ILE   5 -17.031   3.389  -1.388
   34    HB   ILE   5           HB       ILE   5 -19.448   3.784  -3.178
   35   HG12  ILE   5          3HG1      ILE   5 -17.786   2.833  -4.908
   36   HG13  ILE   5          2HG1      ILE   5 -16.862   2.265  -3.525
   37   HG21  ILE   5          1HG2      ILE   5 -18.136   5.830  -2.971
   38   HG22  ILE   5          2HG2      ILE   5 -17.958   5.131  -4.579
   39   HG23  ILE   5          3HG2      ILE   5 -16.671   4.944  -3.391
   40   HD11  ILE   5          1HD1      ILE   5 -19.690   1.494  -4.208
   41   HD12  ILE   5          2HD1      ILE   5 -18.785   0.935  -2.804
   42   HD13  ILE   5          3HD1      ILE   5 -18.250   0.502  -4.426
   43    H    GLU   6           HN       GLU   6 -17.613   3.941   0.868
   44    HA   GLU   6           HA       GLU   6 -18.746   6.631   0.854
   45    HB2  GLU   6          3HB       GLU   6 -20.358   5.001   1.883
   46    HB3  GLU   6          2HB       GLU   6 -19.135   4.639   3.091
   47    HG2  GLU   6          3HG       GLU   6 -20.749   6.158   4.009
   48    HG3  GLU   6          2HG       GLU   6 -19.206   6.988   3.827
   49    H    ASP   7           HN       ASP   7 -16.120   5.695   0.508
   50    HA   ASP   7           HA       ASP   7 -14.749   5.960   3.060
   51    HB2  ASP   7          3HB       ASP   7 -12.765   5.240   1.808
   52    HB3  ASP   7          2HB       ASP   7 -14.105   4.123   1.583
   53    H    SER   8           HN       SER   8 -16.039   8.246   1.587
   54    HA   SER   8           HA       SER   8 -13.797   9.883   0.757
   55    HB2  SER   8          3HB       SER   8 -16.665  10.768   1.078
   56    HB3  SER   8          2HB       SER   8 -15.415  11.485   0.068
   57    HG   SER   8           HG       SER   8 -17.109   9.436  -0.474
   58    H    GLU   9           HN       GLU   9 -15.037   9.025   3.684
   59    HA   GLU   9           HA       GLU   9 -15.218  11.520   5.024
   60    HB2  GLU   9          3HB       GLU   9 -14.697   8.774   6.176
   61    HB3  GLU   9          2HB       GLU   9 -15.175  10.195   7.093
   62    HG2  GLU   9          3HG       GLU   9 -16.810   8.802   4.986
   63    HG3  GLU   9          2HG       GLU   9 -17.060   8.721   6.727
   64    H    ASP  10           HN       ASP  10 -12.549   9.883   3.812
   65    HA   ASP  10           HA       ASP  10 -10.613  10.610   5.765
   66    HB2  ASP  10          3HB       ASP  10 -10.161   8.898   4.032
   67    HB3  ASP  10          2HB       ASP  10 -10.209  10.158   2.802
   68    H    ILE  11           HN       ILE  11 -12.032  12.186   2.985
   69    HA   ILE  11           HA       ILE  11 -10.341  14.461   2.938
   70    HB   ILE  11           HB       ILE  11 -13.213  14.200   2.021
   71   HG12  ILE  11          3HG1      ILE  11 -11.755  12.592   0.905
   72   HG13  ILE  11          2HG1      ILE  11 -12.245  13.855  -0.218
   73   HG21  ILE  11          1HG2      ILE  11 -12.747  16.129   0.593
   74   HG22  ILE  11          2HG2      ILE  11 -11.136  16.265   1.299
   75   HG23  ILE  11          3HG2      ILE  11 -12.565  16.531   2.301
   76   HD11  ILE  11          1HD1      ILE  11 -10.068  14.947   0.092
   77   HD12  ILE  11          2HD1      ILE  11  -9.916  13.302  -0.526
   78   HD13  ILE  11          3HD1      ILE  11  -9.585  13.641   1.173
   79    H    GLN  12           HN       GLN  12 -13.260  13.612   4.689
   80    HA   GLN  12           HA       GLN  12 -13.880  16.067   5.821
   81    HB2  GLN  12          3HB       GLN  12 -15.354  14.116   5.866
   82    HB3  GLN  12          2HB       GLN  12 -14.219  13.270   6.912
   83    HG2  GLN  12          3HG       GLN  12 -14.551  14.949   8.624
   84    HG3  GLN  12          2HG       GLN  12 -15.692  15.779   7.579
   85   HE21  GLN  12          1HE2      GLN  12 -17.713  14.848   7.189
   86   HE22  GLN  12          2HE2      GLN  12 -18.350  13.593   8.189
   87    H    GLY  13           HN       GLY  13 -11.640  13.548   6.764
   88    HA2  GLY  13          2HA       GLY  13 -10.958  14.497   9.317
   89    HA3  GLY  13          1HA       GLY  13  -9.976  13.433   8.328
   90    H    LEU  14           HN       LEU  14 -10.115  15.756   6.245
   91    HA   LEU  14           HA       LEU  14  -7.599  16.880   6.908
   92    HB2  LEU  14          3HB       LEU  14  -9.640  17.824   4.891
   93    HB3  LEU  14          2HB       LEU  14  -7.968  18.345   4.966
   94    HG   LEU  14           HG       LEU  14  -8.889  15.529   4.386
   95   HD11  LEU  14          1HD1      LEU  14  -9.409  17.095   2.578
   96   HD12  LEU  14          2HD1      LEU  14  -8.138  15.964   2.117
   97   HD13  LEU  14          3HD1      LEU  14  -7.727  17.622   2.555
   98   HD21  LEU  14          1HD2      LEU  14  -6.533  15.144   3.812
   99   HD22  LEU  14          2HD2      LEU  14  -6.739  15.569   5.510
  100   HD23  LEU  14          3HD2      LEU  14  -6.141  16.769   4.367
  101    H    LYS  15           HN       LYS  15 -10.899  17.912   7.368
  102    HA   LYS  15           HA       LYS  15  -9.918  20.303   8.763
  103    HB2  LYS  15          3HB       LYS  15 -11.980  21.497   8.032
  104    HB3  LYS  15          2HB       LYS  15 -10.888  21.100   6.718
  105    HG2  LYS  15          3HG       LYS  15 -13.196  19.308   7.354
  106    HG3  LYS  15          2HG       LYS  15 -13.432  20.773   6.404
  107    HD2  LYS  15          3HD       LYS  15 -11.730  19.986   4.809
  108    HD3  LYS  15          2HD       LYS  15 -11.548  18.508   5.753
  109    HE2  LYS  15          3HE       LYS  15 -12.986  18.092   3.856
  110    HE3  LYS  15          2HE       LYS  15 -13.918  17.987   5.346
  111    HZ1  LYS  15          1HZ       LYS  15 -15.077  19.206   3.592
  112    HZ2  LYS  15          2HZ       LYS  15 -13.838  20.357   3.563
  113    HZ3  LYS  15          3HZ       LYS  15 -14.795  20.176   4.947
  114    H    SER  16           HN       SER  16 -10.476  17.737   9.882
  115    HA   SER  16           HA       SER  16 -13.118  17.729  10.998
  116    HB2  SER  16          3HB       SER  16 -12.187  15.761  12.304
  117    HB3  SER  16          2HB       SER  16 -12.153  15.607  10.548
  118    HG   SER  16           HG       SER  16 -10.167  15.042  11.768
  119    H    LEU  17           HN       LEU  17 -11.427  20.052  11.645
  120    HA   LEU  17           HA       LEU  17 -10.971  19.820  14.489
  121    HB2  LEU  17          3HB       LEU  17  -9.593  21.244  12.884
  122    HB3  LEU  17          2HB       LEU  17 -10.962  22.330  12.821
  123    HG   LEU  17           HG       LEU  17  -9.074  23.011  14.350
  124   HD11  LEU  17          1HD1      LEU  17 -11.287  23.996  14.563
  125   HD12  LEU  17          2HD1      LEU  17 -10.529  23.795  16.141
  126   HD13  LEU  17          3HD1      LEU  17 -11.786  22.675  15.618
  127   HD21  LEU  17          1HD2      LEU  17 -10.146  20.781  16.072
  128   HD22  LEU  17          2HD2      LEU  17  -8.911  21.955  16.525
  129   HD23  LEU  17          3HD2      LEU  17  -8.587  20.783  15.249
  130    H    ARG  18           HN       ARG  18 -13.255  21.190  12.263
  131    HA   ARG  18           HA       ARG  18 -14.998  22.014  14.474
  132    HB2  ARG  18          3HB       ARG  18 -14.447  23.692  12.709
  133    HB3  ARG  18          2HB       ARG  18 -15.246  22.664  11.530
  134    HG2  ARG  18          3HG       ARG  18 -17.360  22.943  12.657
  135    HG3  ARG  18          2HG       ARG  18 -16.584  23.867  13.941
  136    HD2  ARG  18          3HD       ARG  18 -17.618  25.432  12.488
  137    HD3  ARG  18          2HD       ARG  18 -15.883  25.524  12.196
  138    HE   ARG  18           HE       ARG  18 -17.137  23.716  10.391
  139   HH11  ARG  18          1HH1      ARG  18 -16.627  27.119  11.020
  140   HH12  ARG  18          2HH1      ARG  18 -16.854  27.594   9.368
  141   HH21  ARG  18          1HH2      ARG  18 -17.457  24.340   8.212
  142   HH22  ARG  18          2HH2      ARG  18 -17.334  26.016   7.774
  143    H    LYS  19           HN       LYS  19 -15.840  20.026  15.055
  144    HA   LYS  19           HA       LYS  19 -18.027  19.091  13.520
  145    HB2  LYS  19          3HB       LYS  19 -17.261  16.757  13.159
  146    HB3  LYS  19          2HB       LYS  19 -16.383  17.924  12.197
  147    HG2  LYS  19          3HG       LYS  19 -14.765  16.417  12.894
  148    HG3  LYS  19          2HG       LYS  19 -14.564  17.765  14.005
  149    HD2  LYS  19          3HD       LYS  19 -15.880  16.557  15.689
  150    HD3  LYS  19          2HD       LYS  19 -16.071  15.211  14.565
  151    HE2  LYS  19          3HE       LYS  19 -13.652  14.880  14.543
  152    HE3  LYS  19          2HE       LYS  19 -13.449  16.240  15.646
  153    HZ1  LYS  19          1HZ       LYS  19 -14.630  15.051  17.337
  154    HZ2  LYS  19          2HZ       LYS  19 -13.384  14.055  16.759
  155    HZ3  LYS  19          3HZ       LYS  19 -14.988  13.781  16.279
  156    H    SER  20           HN       SER  20 -19.477  17.976  14.773
  157    HA   SER  20           HA       SER  20 -18.619  17.539  17.556
  158    HB2  SER  20          3HB       SER  20 -21.403  18.271  16.613
  159    HB3  SER  20          2HB       SER  20 -20.822  18.206  18.278
  160    HG   SER  20           HG       SER  20 -20.346  20.111  16.287
  161    H    HIS  21           HN       HIS  21 -21.446  16.539  15.560
  162    HA   HIS  21           HA       HIS  21 -20.938  13.803  16.495
  163    HB2  HIS  21          3HB       HIS  21 -23.226  13.265  15.915
  164    HB3  HIS  21          2HB       HIS  21 -23.209  14.694  16.935
  165    HD1  HIS  21          1HD       HIS  21 -24.238  16.804  15.998
  166    HD2  HIS  21          2HD       HIS  21 -23.926  13.765  13.181
  167    HE1  HIS  21          1HE       HIS  21 -25.585  17.571  14.025
  168    HE2  HIS  21          2HE       HIS  21 -25.529  15.642  12.408
  169    H    THR  22           HN       THR  22 -20.555  15.834  13.853
  170    HA   THR  22           HA       THR  22 -20.890  14.326  11.568
  171    HB   THR  22           HB       THR  22 -18.234  15.622  11.708
  172    HG1  THR  22          1HG       THR  22 -20.303  17.460  11.727
  173   HG21  THR  22          1HG2      THR  22 -19.314  15.000   9.598
  174   HG22  THR  22          2HG2      THR  22 -19.089  16.746   9.710
  175   HG23  THR  22          3HG2      THR  22 -20.682  16.043   9.988
  176    H    SER  23           HN       SER  23 -18.063  13.932  13.806
  177    HA   SER  23           HA       SER  23 -17.816  11.218  12.862
  178    HB2  SER  23          3HB       SER  23 -16.330  12.373  11.322
  179    HB3  SER  23          2HB       SER  23 -15.552  13.222  12.657
  180    HG   SER  23           HG       SER  23 -14.780  10.974  11.620
  181    H    LEU  24           HN       LEU  24 -17.739  10.042  14.639
  182    HA   LEU  24           HA       LEU  24 -16.885  11.238  17.145
  183    HB2  LEU  24          3HB       LEU  24 -17.991   8.483  16.588
  184    HB3  LEU  24          2HB       LEU  24 -17.758   9.198  18.170
  185    HG   LEU  24           HG       LEU  24 -19.659  10.246  16.072
  186   HD11  LEU  24          1HD1      LEU  24 -20.216   8.680  18.584
  187   HD12  LEU  24          2HD1      LEU  24 -20.367   8.080  16.934
  188   HD13  LEU  24          3HD1      LEU  24 -21.423   9.372  17.503
  189   HD21  LEU  24          1HD2      LEU  24 -19.230  11.026  18.955
  190   HD22  LEU  24          2HD2      LEU  24 -20.529  11.618  17.920
  191   HD23  LEU  24          3HD2      LEU  24 -18.853  12.003  17.534
  192    H    GLU  25           HN       GLU  25 -15.435   9.732  14.644
  193    HA   GLU  25           HA       GLU  25 -13.302   9.046  14.266
  194    HB2  GLU  25          3HB       GLU  25 -12.879  10.076  17.069
  195    HB3  GLU  25          2HB       GLU  25 -11.586   9.596  15.976
  196    HG2  GLU  25          3HG       GLU  25 -12.303  11.298  14.379
  197    HG3  GLU  25          2HG       GLU  25 -13.592  11.784  15.478
  198    H    ASP  26           HN       ASP  26 -15.183   7.123  15.167
  199    HA   ASP  26           HA       ASP  26 -13.231   5.146  16.075
  200    HB2  ASP  26          3HB       ASP  26 -14.945   3.889  17.215
  201    HB3  ASP  26          2HB       ASP  26 -14.970   5.539  17.819
  202    H    ASP  27           HN       ASP  27 -16.160   5.688  14.302
  203    HA   ASP  27           HA       ASP  27 -15.628   3.445  12.521
  204    HB2  ASP  27          3HB       ASP  27 -17.945   3.868  13.339
  205    HB3  ASP  27          2HB       ASP  27 -17.928   5.419  12.506
  206    H    ASP  28           HN       ASP  28 -14.506   6.406  12.853
  207    HA   ASP  28           HA       ASP  28 -14.923   7.718  10.408
  208    HB2  ASP  28          3HB       ASP  28 -14.166   8.907  12.394
  209    HB3  ASP  28          2HB       ASP  28 -12.663   7.990  12.388
  210    H    ASP  29           HN       ASP  29 -12.301   5.722  11.550
  211    HA   ASP  29           HA       ASP  29 -10.781   5.904   9.141
  212    HB2  ASP  29          3HB       ASP  29  -9.769   5.411  11.363
  213    HB3  ASP  29          2HB       ASP  29 -10.562   3.839  11.341
  214    H    GLY  30           HN       GLY  30 -13.365   3.902  10.245
  215    HA2  GLY  30          2HA       GLY  30 -13.042   1.724   8.463
  216    HA3  GLY  30          1HA       GLY  30 -14.548   2.217   9.226
  217    H    SER  31           HN       SER  31 -14.905   4.729   8.242
  218    HA   SER  31           HA       SER  31 -15.507   4.236   5.444
  219    HB2  SER  31          3HB       SER  31 -16.134   6.633   7.189
  220    HB3  SER  31          2HB       SER  31 -16.772   6.338   5.570
  221    HG   SER  31           HG       SER  31 -17.963   5.656   7.683
  222    H    ARG  32           HN       ARG  32 -12.749   4.662   6.508
  223    HA   ARG  32           HA       ARG  32 -11.979   7.021   4.930
  224    HB2  ARG  32          3HB       ARG  32 -11.284   7.128   7.264
  225    HB3  ARG  32          2HB       ARG  32 -10.519   5.553   7.132
  226    HG2  ARG  32          3HG       ARG  32  -8.965   6.523   5.449
  227    HG3  ARG  32          2HG       ARG  32  -9.669   8.105   5.797
  228    HD2  ARG  32          3HD       ARG  32  -9.013   7.897   8.131
  229    HD3  ARG  32          2HD       ARG  32  -8.342   6.298   7.811
  230    HE   ARG  32           HE       ARG  32  -7.277   8.575   6.311
  231   HH11  ARG  32          1HH1      ARG  32  -6.882   6.160   8.816
  232   HH12  ARG  32          2HH1      ARG  32  -5.174   6.422   8.980
  233   HH21  ARG  32          1HH2      ARG  32  -5.016   8.915   6.514
  234   HH22  ARG  32          2HH2      ARG  32  -4.108   7.977   7.660
  235    H    GLY  33           HN       GLY  33 -11.527   6.341   2.888
  236    HA2  GLY  33          2HA       GLY  33  -9.755   3.993   2.641
  237    HA3  GLY  33          1HA       GLY  33 -11.096   4.264   1.538
  238    H    GLY  34           HN       GLY  34 -10.972   5.942   0.009
  239    HA2  GLY  34          2HA       GLY  34  -9.848   7.494  -1.329
  240    HA3  GLY  34          1HA       GLY  34  -8.458   7.378  -0.255
  241    H    ASP  35           HN       ASP  35 -10.307   5.260  -2.436
  242    HA   ASP  35           HA       ASP  35  -8.353   3.355  -2.905
  243    HB2  ASP  35          3HB       ASP  35  -9.504   2.901  -5.075
  244    HB3  ASP  35          2HB       ASP  35 -10.593   2.945  -3.694
  245    H    CYS  36           HN       CYS  36  -8.888   6.395  -4.662
  246    HA   CYS  36           HA       CYS  36  -6.014   6.277  -5.282
  247    HB2  CYS  36          3HB       CYS  36  -7.447   5.974  -7.344
  248    HB3  CYS  36          2HB       CYS  36  -8.106   7.579  -7.054
  249    HG   CYS  36           HG       CYS  36  -5.622   6.867  -8.890
  250    H    GLU  37           HN       GLU  37  -5.845   7.256  -3.305
  251    HA   GLU  37           HA       GLU  37  -5.158   9.915  -3.360
  252    HB2  GLU  37          3HB       GLU  37  -7.834   9.998  -3.365
  253    HB3  GLU  37          2HB       GLU  37  -7.604   9.760  -1.640
  254    HG2  GLU  37          3HG       GLU  37  -6.414  12.003  -3.261
  255    HG3  GLU  37          2HG       GLU  37  -7.848  12.125  -2.248
  256    H    GLY  38           HN       GLY  38  -3.577   8.326  -2.464
  257    HA2  GLY  38          2HA       GLY  38  -2.571   8.382  -0.146
  258    HA3  GLY  38          1HA       GLY  38  -4.121   7.746   0.382
  259    H    CYS  39           HN       CYS  39  -2.958   6.617  -2.640
  260    HA   CYS  39           HA       CYS  39  -1.924   4.175  -1.409
  261    HB2  CYS  39          3HB       CYS  39  -3.894   4.415  -3.687
  262    HB3  CYS  39          2HB       CYS  39  -3.028   2.928  -3.309
  263    H    SER  40           HN       SER  40  -0.033   5.842  -2.012
  264    HA   SER  40           HA       SER  40   1.462   4.463  -3.944
  265    HB2  SER  40          3HB       SER  40   1.781   6.422  -5.533
  266    HB3  SER  40          2HB       SER  40   0.255   5.556  -5.612
  267    HG   SER  40           HG       SER  40  -0.698   7.212  -4.371
  268    H    GLY  41           HN       GLY  41   1.292   7.867  -3.035
  269    HA2  GLY  41          2HA       GLY  41   4.094   7.729  -2.131
  270    HA3  GLY  41          1HA       GLY  41   3.164   9.218  -2.268
  271    H    THR  42           HN       THR  42   1.646   6.538  -0.719
  272    HA   THR  42           HA       THR  42   1.844   7.928   1.847
  273    HB   THR  42           HB       THR  42   0.258   5.859   2.413
  274    HG1  THR  42          1HG       THR  42  -1.046   5.546   0.436
  275   HG21  THR  42          1HG2      THR  42  -0.367   8.201   2.626
  276   HG22  THR  42          2HG2      THR  42  -1.657   7.301   1.826
  277   HG23  THR  42          3HG2      THR  42  -0.577   8.324   0.880
  278    H    ALA  43           HN       ALA  43   2.373   6.722   3.794
  279    HA   ALA  43           HA       ALA  43   4.397   4.660   3.191
  280    HB1  ALA  43          1HB       ALA  43   5.597   5.424   5.164
  281    HB2  ALA  43          2HB       ALA  43   4.332   6.603   5.502
  282    HB3  ALA  43          3HB       ALA  43   5.322   6.766   4.053
  283    H    CYS  44           HN       CYS  44   3.874   2.766   3.719
  284    HA   CYS  44           HA       CYS  44   2.303   2.203   6.140
  285    HB2  CYS  44          3HB       CYS  44   2.220  -0.102   5.106
  286    HB3  CYS  44          2HB       CYS  44   1.388   1.161   4.201
  287    H    SER  45           HN       SER  45   3.404   1.487   7.891
  288    HA   SER  45           HA       SER  45   6.010   0.253   7.520
  289    HB2  SER  45          3HB       SER  45   4.461   0.137  10.115
  290    HB3  SER  45          2HB       SER  45   6.203   0.211   9.862
  291    HG   SER  45           HG       SER  45   5.864   2.386   9.071
  292    H    SER  46           HN       SER  46   2.671  -0.571   7.924
  293    HA   SER  46           HA       SER  46   3.354  -3.430   7.859
  294    HB2  SER  46          3HB       SER  46   2.163  -2.812   9.906
  295    HB3  SER  46          2HB       SER  46   0.875  -2.080   8.956
  296    HG   SER  46           HG       SER  46   1.042  -4.568   9.760
  297    H    ASP  47           HN       ASP  47   2.418  -4.707   6.294
  298    HA   ASP  47           HA       ASP  47   1.269  -3.676   3.987
  299    HB2  ASP  47          3HB       ASP  47   1.613  -6.362   5.148
  300    HB3  ASP  47          2HB       ASP  47   0.324  -6.207   3.959
  301    H    ALA  48           HN       ALA  48  -0.314  -4.632   7.008
  302    HA   ALA  48           HA       ALA  48  -2.831  -5.051   5.972
  303    HB1  ALA  48          1HB       ALA  48  -2.156  -5.782   8.199
  304    HB2  ALA  48          2HB       ALA  48  -3.636  -4.826   8.259
  305    HB3  ALA  48          3HB       ALA  48  -2.098  -4.102   8.731
  306    H    GLN  49           HN       GLN  49  -1.121  -2.135   6.381
  307    HA   GLN  49           HA       GLN  49  -3.401  -0.449   6.828
  308    HB2  GLN  49          3HB       GLN  49  -0.640   0.401   5.949
  309    HB3  GLN  49          2HB       GLN  49  -1.863   1.387   6.736
  310    HG2  GLN  49          3HG       GLN  49  -1.652  -0.074   8.739
  311    HG3  GLN  49          2HG       GLN  49  -0.303  -0.877   7.941
  312   HE21  GLN  49          1HE2      GLN  49  -1.079   2.552   7.829
  313   HE22  GLN  49          2HE2      GLN  49   0.339   3.090   8.665
  314    H    CYS  50           HN       CYS  50  -1.376  -1.456   4.131
  315    HA   CYS  50           HA       CYS  50  -2.718   0.290   2.267
  316    HB2  CYS  50          3HB       CYS  50  -0.938  -2.098   1.724
  317    HB3  CYS  50          2HB       CYS  50  -1.434  -0.890   0.548
  318    H    ARG  51           HN       ARG  51  -2.767  -3.081   3.211
  319    HA   ARG  51           HA       ARG  51  -4.669  -4.030   1.424
  320    HB2  ARG  51          3HB       ARG  51  -4.007  -4.883   4.241
  321    HB3  ARG  51          2HB       ARG  51  -5.107  -5.764   3.198
  322    HG2  ARG  51          3HG       ARG  51  -2.179  -5.282   2.757
  323    HG3  ARG  51          2HG       ARG  51  -2.981  -6.817   3.094
  324    HD2  ARG  51          3HD       ARG  51  -3.472  -5.113   0.664
  325    HD3  ARG  51          2HD       ARG  51  -2.399  -6.508   0.710
  326    HE   ARG  51           HE       ARG  51  -5.007  -7.194   1.609
  327   HH11  ARG  51          1HH1      ARG  51  -3.171  -6.508  -1.293
  328   HH12  ARG  51          2HH1      ARG  51  -4.161  -7.512  -2.306
  329   HH21  ARG  51          1HH2      ARG  51  -6.308  -8.521   0.273
  330   HH22  ARG  51          2HH2      ARG  51  -5.941  -8.653  -1.417
  331    H    ALA  52           HN       ALA  52  -5.145  -2.824   4.745
  332    HA   ALA  52           HA       ALA  52  -7.978  -3.068   4.604
  333    HB1  ALA  52          1HB       ALA  52  -8.012  -1.873   6.720
  334    HB2  ALA  52          2HB       ALA  52  -6.316  -1.435   6.515
  335    HB3  ALA  52          3HB       ALA  52  -6.769  -3.126   6.731
  336    H    ARG  53           HN       ARG  53  -5.769  -0.722   3.437
  337    HA   ARG  53           HA       ARG  53  -7.822   1.357   3.413
  338    HB2  ARG  53          3HB       ARG  53  -5.446   1.944   3.895
  339    HB3  ARG  53          2HB       ARG  53  -5.048   1.503   2.239
  340    HG2  ARG  53          3HG       ARG  53  -6.431   3.259   1.374
  341    HG3  ARG  53          2HG       ARG  53  -7.037   3.632   2.988
  342    HD2  ARG  53          3HD       ARG  53  -4.816   4.332   3.680
  343    HD3  ARG  53          2HD       ARG  53  -4.171   3.903   2.095
  344    HE   ARG  53           HE       ARG  53  -5.861   5.633   1.264
  345   HH11  ARG  53          1HH1      ARG  53  -4.221   5.853   4.350
  346   HH12  ARG  53          2HH1      ARG  53  -4.269   7.587   4.391
  347   HH21  ARG  53          1HH2      ARG  53  -5.937   7.911   1.323
  348   HH22  ARG  53          2HH2      ARG  53  -5.256   8.751   2.680
  349    H    GLY  54           HN       GLY  54  -6.931  -1.213   1.488
  350    HA2  GLY  54          2HA       GLY  54  -7.915  -1.855  -0.539
  351    HA3  GLY  54          1HA       GLY  54  -8.614  -0.248  -0.669
  352    H    CYS  55           HN       CYS  55  -5.391  -0.034   0.075
  353    HA   CYS  55           HA       CYS  55  -4.664   1.031  -2.428
  354    HB2  CYS  55          3HB       CYS  55  -3.013   0.276  -0.013
  355    HB3  CYS  55          2HB       CYS  55  -2.319   1.015  -1.456
  356    H    ASP  56           HN       ASP  56  -2.635  -1.631  -1.157
  357    HA   ASP  56           HA       ASP  56  -3.697  -3.710  -2.624
  358    HB2  ASP  56          3HB       ASP  56  -3.017  -2.505  -4.656
  359    HB3  ASP  56          2HB       ASP  56  -1.371  -2.373  -4.052
  360    H    GLY  57           HN       GLY  57  -0.381  -2.355  -1.982
  361    HA2  GLY  57          2HA       GLY  57  -0.163  -4.167   0.246
  362    HA3  GLY  57          1HA       GLY  57   0.805  -4.673  -1.126
  363    H    CYS  58           HN       CYS  58   1.924  -4.035   1.289
  364    HA   CYS  58           HA       CYS  58   2.976  -1.339   1.094
  365    HB2  CYS  58          3HB       CYS  58   2.432  -2.549   3.279
  366    HB3  CYS  58          2HB       CYS  58   3.888  -3.498   2.999
  367    H    SER  59           HN       SER  59   4.748  -0.849  -0.034
  368    HA   SER  59           HA       SER  59   6.260  -3.020  -1.211
  369    HB2  SER  59          3HB       SER  59   5.608  -1.069  -2.579
  370    HB3  SER  59          2HB       SER  59   6.585  -0.028  -1.548
  371    HG   SER  59           HG       SER  59   7.412  -2.017  -3.374
  372    H    THR  60           HN       THR  60   8.703  -2.908  -1.205
  373    HA   THR  60           HA       THR  60   9.690  -3.463   1.269
  374    HB   THR  60           HB       THR  60  11.964  -2.589   0.126
  375    HG1  THR  60          1HG       THR  60  11.539  -1.883  -1.822
  376   HG21  THR  60          1HG2      THR  60  12.134  -4.806  -0.910
  377   HG22  THR  60          2HG2      THR  60  10.400  -5.040  -0.701
  378   HG23  THR  60          3HG2      THR  60  11.448  -4.905   0.709
  379    H    SER  61           HN       SER  61   9.640  -0.140  -0.071
  380    HA   SER  61           HA       SER  61  11.241   0.754   2.179
  381    HB2  SER  61          3HB       SER  61  10.326   2.320  -0.230
  382    HB3  SER  61          2HB       SER  61  11.544   2.812   0.947
  383    HG   SER  61           HG       SER  61  12.590   0.710   0.253
  384    H    GLY  62           HN       GLY  62   8.283   0.036   2.305
  385    HA2  GLY  62          2HA       GLY  62   6.596   0.743   3.682
  386    HA3  GLY  62          1HA       GLY  62   7.647   2.050   4.193
  387    H    VAL  63           HN       VAL  63   5.988   1.160   1.172
  388    HA   VAL  63           HA       VAL  63   4.532   3.705   1.307
  389    HB   VAL  63           HB       VAL  63   4.726   3.870  -1.225
  390   HG11  VAL  63          1HG1      VAL  63   7.214   4.274   0.430
  391   HG12  VAL  63          2HG1      VAL  63   5.875   5.409   0.260
  392   HG13  VAL  63          3HG1      VAL  63   6.888   5.026  -1.133
  393   HG21  VAL  63          1HG2      VAL  63   6.999   1.965  -0.729
  394   HG22  VAL  63          2HG2      VAL  63   6.765   2.886  -2.212
  395   HG23  VAL  63          3HG2      VAL  63   5.578   1.678  -1.728
  396    H    CYS  64           HN       CYS  64   2.558   3.682   0.012
  397    HA   CYS  64           HA       CYS  64   1.371   0.981   0.248
  398    HB2  CYS  64          3HB       CYS  64   0.255   3.679   0.856
  399    HB3  CYS  64          2HB       CYS  64  -0.818   2.623  -0.036
  400    H    VAL  65           HN       VAL  65   1.090  -0.031  -1.615
  401    HA   VAL  65           HA       VAL  65   0.744   1.504  -4.085
  402    HB   VAL  65           HB       VAL  65   2.814   0.880  -5.071
  403   HG11  VAL  65          1HG1      VAL  65   3.041   2.713  -3.509
  404   HG12  VAL  65          2HG1      VAL  65   4.509   1.731  -3.527
  405   HG13  VAL  65          3HG1      VAL  65   3.346   1.563  -2.205
  406   HG21  VAL  65          1HG2      VAL  65   3.593  -0.751  -2.673
  407   HG22  VAL  65          2HG2      VAL  65   4.307  -0.746  -4.284
  408   HG23  VAL  65          3HG2      VAL  65   2.713  -1.461  -4.025
  409    H    LEU  66           HN       LEU  66   0.925  -0.075  -6.026
  410    HA   LEU  66           HA       LEU  66  -0.207  -2.641  -5.566
  411    HB2  LEU  66          3HB       LEU  66   0.301  -3.106  -7.885
  412    HB3  LEU  66          2HB       LEU  66  -0.363  -1.497  -7.750
  413    HG   LEU  66           HG       LEU  66   2.598  -2.027  -8.010
  414   HD11  LEU  66          1HD1      LEU  66   1.469  -2.941  -9.952
  415   HD12  LEU  66          2HD1      LEU  66   2.325  -1.461 -10.380
  416   HD13  LEU  66          3HD1      LEU  66   0.576  -1.436 -10.165
  417   HD21  LEU  66          1HD2      LEU  66   2.130   0.162  -7.144
  418   HD22  LEU  66          2HD2      LEU  66   0.892   0.434  -8.370
  419   HD23  LEU  66          3HD2      LEU  66   2.588   0.323  -8.838
  420    H    SER  67           HN       SER  67   0.855  -4.262  -4.517
  421    HA   SER  67           HA       SER  67   3.313  -3.791  -3.303
  422    HB2  SER  67          3HB       SER  67   3.179  -6.463  -3.058
  423    HB3  SER  67          2HB       SER  67   2.116  -5.381  -2.169
  424    HG   SER  67           HG       SER  67   0.524  -5.712  -3.765
  425    H    SER  68           HN       SER  68   5.369  -5.152  -3.451
  426    HA   SER  68           HA       SER  68   6.253  -4.947  -6.190
  427    HB2  SER  68          3HB       SER  68   7.797  -5.566  -3.663
  428    HB3  SER  68          2HB       SER  68   8.491  -5.139  -5.227
  429    HG   SER  68           HG       SER  68   7.845  -3.096  -4.989
  430    H    LEU  69           HN       LEU  69   4.716  -6.996  -6.514
  431    HA   LEU  69           HA       LEU  69   6.537  -9.316  -6.460
  432    HB2  LEU  69          3HB       LEU  69   3.538  -9.252  -6.168
  433    HB3  LEU  69          2HB       LEU  69   4.395 -10.704  -6.636
  434    HG   LEU  69           HG       LEU  69   3.998 -10.922  -4.334
  435   HD11  LEU  69          1HD1      LEU  69   6.198 -10.953  -3.331
  436   HD12  LEU  69          2HD1      LEU  69   6.808  -9.877  -4.585
  437   HD13  LEU  69          3HD1      LEU  69   6.277 -11.505  -5.004
  438   HD21  LEU  69          1HD2      LEU  69   5.052  -8.125  -3.960
  439   HD22  LEU  69          2HD2      LEU  69   4.544  -9.219  -2.672
  440   HD23  LEU  69          3HD2      LEU  69   3.366  -8.628  -3.843
  441    H    HIS  70           HN       HIS  70   5.258  -7.003  -8.307
  442    HA   HIS  70           HA       HIS  70   4.942  -6.615 -10.501
  443    HB2  HIS  70          3HB       HIS  70   6.575  -9.135 -10.836
  444    HB3  HIS  70          2HB       HIS  70   6.224  -7.978 -12.115
  445    HD1  HIS  70          1HD       HIS  70   7.502  -5.708 -12.035
  446    HD2  HIS  70          2HD       HIS  70   8.563  -8.388  -9.040
  447    HE1  HIS  70          1HE       HIS  70   9.608  -4.788 -11.014
  448    HE2  HIS  70          2HE       HIS  70  10.198  -6.392  -9.165
  449    H    HIS  71           HN       HIS  71   4.961 -10.116 -10.985
  450    HA   HIS  71           HA       HIS  71   2.053 -10.063 -11.351
  451    HB2  HIS  71          3HB       HIS  71   4.052 -11.104 -13.369
  452    HB3  HIS  71          2HB       HIS  71   2.334 -11.479 -13.418
  453    HD1  HIS  71          1HD       HIS  71   4.752  -9.084 -14.625
  454    HD2  HIS  71          2HD       HIS  71   0.701  -9.027 -13.703
  455    HE1  HIS  71          1HE       HIS  71   3.831  -7.038 -15.757
  456    HE2  HIS  71          2HE       HIS  71   1.400  -6.965 -15.100
  457    H    HIS  72           HN       HIS  72   3.814 -11.053  -9.283
  458    HA   HIS  72           HA       HIS  72   3.996 -12.808  -7.873
  459    HB2  HIS  72          3HB       HIS  72   1.500 -12.870  -8.236
  460    HB3  HIS  72          2HB       HIS  72   1.771 -14.107  -9.457
  461    HD1  HIS  72          1HD       HIS  72   1.851 -13.545  -5.753
  462    HD2  HIS  72          2HD       HIS  72   2.360 -16.659  -8.463
  463    HE1  HIS  72          1HE       HIS  72   1.895 -15.647  -4.372
  464    HE2  HIS  72          2HE       HIS  72   2.111 -17.526  -6.038
  465    H    HIS  73           HN       HIS  73   6.039 -12.965  -9.244
  466    HA   HIS  73           HA       HIS  73   6.263 -15.792  -9.998
  467    HB2  HIS  73          3HB       HIS  73   7.473 -13.451 -11.475
  468    HB3  HIS  73          2HB       HIS  73   8.033 -15.104 -11.674
  469    HD1  HIS  73          1HD       HIS  73   5.798 -12.744 -13.142
  470    HD2  HIS  73          2HD       HIS  73   5.752 -16.857 -12.553
  471    HE1  HIS  73          1HE       HIS  73   4.120 -13.643 -14.786
  472    HE2  HIS  73          2HE       HIS  73   4.247 -16.145 -14.530
  473    H    HIS  74           HN       HIS  74   7.494 -16.698  -8.509
  474    HA   HIS  74           HA       HIS  74   9.390 -15.185  -6.974
  475    HB2  HIS  74          3HB       HIS  74   8.083 -17.060  -5.997
  476    HB3  HIS  74          2HB       HIS  74   8.928 -18.180  -7.057
  477    HD1  HIS  74          1HD       HIS  74   9.267 -16.312  -3.880
  478    HD2  HIS  74          2HD       HIS  74  11.667 -18.618  -6.367
  479    HE1  HIS  74          1HE       HIS  74  11.302 -16.878  -2.521
  480    HE2  HIS  74          2HE       HIS  74  12.815 -18.111  -4.109
  481    H    HIS  75           HN       HIS  75  11.316 -14.642  -7.756
  482    HA   HIS  75           HA       HIS  75  12.952 -16.659  -9.030
  483    HB2  HIS  75          3HB       HIS  75  13.512 -15.313 -10.994
  484    HB3  HIS  75          2HB       HIS  75  11.793 -15.675 -10.960
  485    HD1  HIS  75          1HD       HIS  75  14.123 -12.947 -11.385
  486    HD2  HIS  75          2HD       HIS  75  10.217 -13.341 -10.023
  487    HE1  HIS  75          1HE       HIS  75  13.127 -10.648 -11.521
  488    HE2  HIS  75          2HE       HIS  75  10.832 -10.875 -10.512
  Start of MODEL   20
    1    H1   MET   1          1HT       MET   1 -19.828   2.437 -17.531
    2    H2   MET   1          2HT       MET   1 -20.760   1.449 -16.528
    3    H3   MET   1          3HT       MET   1 -20.768   1.197 -18.198
    4    HA   MET   1           HA       MET   1 -19.435  -0.461 -17.112
    5    HB2  MET   1          3HB       MET   1 -17.882   1.586 -18.701
    6    HB3  MET   1          2HB       MET   1 -17.265  -0.011 -18.306
    7    HG2  MET   1          3HG       MET   1 -19.737   0.567 -19.920
    8    HG3  MET   1          2HG       MET   1 -18.170   0.083 -20.566
    9    HE1  MET   1          1HE       MET   1 -21.019  -1.392 -21.119
   10    HE2  MET   1          2HE       MET   1 -20.488  -3.072 -21.082
   11    HE3  MET   1          3HE       MET   1 -19.499  -1.854 -21.886
   12    H    CYS   2           HN       CYS   2 -18.100  -1.023 -15.498
   13    HA   CYS   2           HA       CYS   2 -16.494   1.021 -14.178
   14    HB2  CYS   2          3HB       CYS   2 -18.806   0.895 -13.105
   15    HB3  CYS   2          2HB       CYS   2 -18.381  -0.734 -12.598
   16    HG   CYS   2           HG       CYS   2 -18.144   1.084 -10.445
   17    H    GLU   3           HN       GLU   3 -15.620  -0.397 -12.041
   18    HA   GLU   3           HA       GLU   3 -14.339  -2.092 -11.267
   19    HB2  GLU   3          3HB       GLU   3 -15.456  -3.665 -13.591
   20    HB3  GLU   3          2HB       GLU   3 -14.470  -4.337 -12.301
   21    HG2  GLU   3          3HG       GLU   3 -16.202  -3.646 -10.677
   22    HG3  GLU   3          2HG       GLU   3 -17.201  -3.105 -12.025
   23    H    PHE   4           HN       PHE   4 -12.445  -3.486 -11.858
   24    HA   PHE   4           HA       PHE   4 -10.895  -2.195 -14.036
   25    HB2  PHE   4          3HB       PHE   4  -9.846  -3.268 -11.379
   26    HB3  PHE   4          2HB       PHE   4  -8.882  -2.526 -12.645
   27    HD1  PHE   4          1HD       PHE   4  -8.697  -0.186 -12.842
   28    HD2  PHE   4          2HD       PHE   4 -11.451  -1.878 -10.077
   29    HE1  PHE   4          1HE       PHE   4  -9.017   2.026 -11.814
   30    HE2  PHE   4          2HE       PHE   4 -11.779   0.332  -9.045
   31    HZ   PHE   4           HZ       PHE   4 -10.561   2.287  -9.915
   32    H    ILE   5           HN       ILE   5 -10.385  -3.620 -15.601
   33    HA   ILE   5           HA       ILE   5 -10.739  -6.435 -15.185
   34    HB   ILE   5           HB       ILE   5 -10.986  -5.165 -17.446
   35   HG12  ILE   5          3HG1      ILE   5  -9.565  -7.826 -17.331
   36   HG13  ILE   5          2HG1      ILE   5 -11.291  -7.592 -17.075
   37   HG21  ILE   5          1HG2      ILE   5  -8.024  -5.742 -17.447
   38   HG22  ILE   5          2HG2      ILE   5  -8.811  -4.192 -17.742
   39   HG23  ILE   5          3HG2      ILE   5  -8.963  -5.494 -18.913
   40   HD11  ILE   5          1HD1      ILE   5 -11.509  -6.776 -19.371
   41   HD12  ILE   5          2HD1      ILE   5 -10.848  -8.409 -19.309
   42   HD13  ILE   5          3HD1      ILE   5  -9.784  -7.038 -19.620
   43    H    GLU   6           HN       GLU   6  -8.590  -4.846 -13.681
   44    HA   GLU   6           HA       GLU   6  -6.338  -4.891 -13.135
   45    HB2  GLU   6          3HB       GLU   6  -7.021  -7.781 -13.558
   46    HB3  GLU   6          2HB       GLU   6  -5.384  -7.289 -13.160
   47    HG2  GLU   6          3HG       GLU   6  -6.481  -7.933 -11.149
   48    HG3  GLU   6          2HG       GLU   6  -6.269  -6.184 -11.122
   49    H    ASP   7           HN       ASP   7  -6.334  -3.821 -15.424
   50    HA   ASP   7           HA       ASP   7  -5.130  -5.274 -17.553
   51    HB2  ASP   7          3HB       ASP   7  -6.553  -3.268 -17.904
   52    HB3  ASP   7          2HB       ASP   7  -5.285  -2.277 -17.195
   53    H    SER   8           HN       SER   8  -3.902  -3.683 -14.787
   54    HA   SER   8           HA       SER   8  -1.268  -3.173 -15.739
   55    HB2  SER   8          3HB       SER   8  -2.151  -3.645 -12.880
   56    HB3  SER   8          2HB       SER   8  -0.693  -2.812 -13.413
   57    HG   SER   8           HG       SER   8  -2.600  -1.549 -14.613
   58    H    GLU   9           HN       GLU   9  -2.946  -5.958 -14.597
   59    HA   GLU   9           HA       GLU   9  -0.556  -7.423 -13.887
   60    HB2  GLU   9          3HB       GLU   9  -2.680  -7.644 -12.620
   61    HB3  GLU   9          2HB       GLU   9  -3.425  -8.355 -14.041
   62    HG2  GLU   9          3HG       GLU   9  -1.968 -10.251 -13.928
   63    HG3  GLU   9          2HG       GLU   9  -1.041  -9.511 -12.623
   64    H    ASP  10           HN       ASP  10  -3.137  -7.717 -16.333
   65    HA   ASP  10           HA       ASP  10  -1.853  -9.990 -17.529
   66    HB2  ASP  10          3HB       ASP  10  -4.338  -9.661 -17.492
   67    HB3  ASP  10          2HB       ASP  10  -4.130  -8.363 -18.664
   68    H    ILE  11           HN       ILE  11   0.094  -9.494 -18.337
   69    HA   ILE  11           HA       ILE  11   0.503  -7.156 -19.986
   70    HB   ILE  11           HB       ILE  11   2.416  -9.435 -19.452
   71   HG12  ILE  11          3HG1      ILE  11   1.699  -8.416 -17.343
   72   HG13  ILE  11          2HG1      ILE  11   3.374  -8.006 -17.690
   73   HG21  ILE  11          1HG2      ILE  11   3.036  -8.063 -21.369
   74   HG22  ILE  11          2HG2      ILE  11   4.153  -7.807 -20.029
   75   HG23  ILE  11          3HG2      ILE  11   2.910  -6.607 -20.382
   76   HD11  ILE  11          1HD1      ILE  11   2.185  -6.094 -16.812
   77   HD12  ILE  11          2HD1      ILE  11   0.984  -6.221 -18.097
   78   HD13  ILE  11          3HD1      ILE  11   2.653  -5.805 -18.488
   79    H    GLN  12           HN       GLN  12  -0.363 -10.453 -20.441
   80    HA   GLN  12           HA       GLN  12   0.593 -10.887 -23.031
   81    HB2  GLN  12          3HB       GLN  12  -0.216 -12.642 -21.494
   82    HB3  GLN  12          2HB       GLN  12  -1.851 -12.016 -21.660
   83    HG2  GLN  12          3HG       GLN  12  -1.837 -12.536 -24.003
   84    HG3  GLN  12          2HG       GLN  12  -0.178 -13.105 -23.886
   85   HE21  GLN  12          1HE2      GLN  12   0.248 -15.056 -22.822
   86   HE22  GLN  12          2HE2      GLN  12  -0.995 -16.220 -22.517
   87    H    GLY  13           HN       GLY  13  -2.537  -9.698 -21.828
   88    HA2  GLY  13          2HA       GLY  13  -3.659  -9.291 -24.413
   89    HA3  GLY  13          1HA       GLY  13  -4.268  -8.640 -22.901
   90    H    LEU  14           HN       LEU  14  -1.504  -7.444 -22.473
   91    HA   LEU  14           HA       LEU  14  -1.962  -4.870 -23.470
   92    HB2  LEU  14          3HB       LEU  14  -0.451  -5.509 -21.560
   93    HB3  LEU  14          2HB       LEU  14   0.711  -6.081 -22.734
   94    HG   LEU  14           HG       LEU  14   1.092  -3.778 -21.681
   95   HD11  LEU  14          1HD1      LEU  14   1.100  -4.050 -24.681
   96   HD12  LEU  14          2HD1      LEU  14   2.380  -4.553 -23.575
   97   HD13  LEU  14          3HD1      LEU  14   1.992  -2.841 -23.754
   98   HD21  LEU  14          1HD2      LEU  14  -1.207  -2.966 -21.937
   99   HD22  LEU  14          2HD2      LEU  14  -1.014  -3.000 -23.690
  100   HD23  LEU  14          3HD2      LEU  14  -0.036  -1.904 -22.715
  101    H    LYS  15           HN       LYS  15  -0.355  -7.649 -24.806
  102    HA   LYS  15           HA       LYS  15   0.908  -6.382 -27.011
  103    HB2  LYS  15          3HB       LYS  15   1.476  -8.688 -26.302
  104    HB3  LYS  15          2HB       LYS  15  -0.109  -9.236 -26.834
  105    HG2  LYS  15          3HG       LYS  15   0.475  -8.516 -29.131
  106    HG3  LYS  15          2HG       LYS  15   2.094  -8.127 -28.554
  107    HD2  LYS  15          3HD       LYS  15   0.853 -10.862 -28.297
  108    HD3  LYS  15          2HD       LYS  15   1.838 -10.374 -29.673
  109    HE2  LYS  15          3HE       LYS  15   3.342 -11.479 -28.280
  110    HE3  LYS  15          2HE       LYS  15   3.624  -9.777 -27.929
  111    HZ1  LYS  15          1HZ       LYS  15   1.890 -11.543 -26.291
  112    HZ2  LYS  15          2HZ       LYS  15   2.384  -9.969 -25.916
  113    HZ3  LYS  15          3HZ       LYS  15   3.511 -11.221 -25.944
  114    H    SER  16           HN       SER  16  -2.345  -7.497 -26.432
  115    HA   SER  16           HA       SER  16  -3.179  -7.218 -29.179
  116    HB2  SER  16          3HB       SER  16  -4.208  -8.890 -27.639
  117    HB3  SER  16          2HB       SER  16  -4.871  -7.563 -26.688
  118    HG   SER  16           HG       SER  16  -6.495  -7.823 -28.010
  119    H    LEU  17           HN       LEU  17  -2.868  -5.220 -26.419
  120    HA   LEU  17           HA       LEU  17  -4.742  -3.206 -27.316
  121    HB2  LEU  17          3HB       LEU  17  -2.664  -3.121 -25.124
  122    HB3  LEU  17          2HB       LEU  17  -3.873  -1.888 -25.418
  123    HG   LEU  17           HG       LEU  17  -4.421  -4.728 -24.553
  124   HD11  LEU  17          1HD1      LEU  17  -4.672  -2.115 -23.073
  125   HD12  LEU  17          2HD1      LEU  17  -3.443  -3.350 -22.794
  126   HD13  LEU  17          3HD1      LEU  17  -5.140  -3.703 -22.461
  127   HD21  LEU  17          1HD2      LEU  17  -6.301  -2.419 -25.030
  128   HD22  LEU  17          2HD2      LEU  17  -6.744  -3.960 -24.295
  129   HD23  LEU  17          3HD2      LEU  17  -6.207  -3.906 -25.972
  130    H    ARG  18           HN       ARG  18  -1.772  -4.164 -28.299
  131    HA   ARG  18           HA       ARG  18  -0.521  -1.604 -28.699
  132    HB2  ARG  18          3HB       ARG  18   0.152  -4.357 -29.748
  133    HB3  ARG  18          2HB       ARG  18   1.139  -2.928 -30.009
  134    HG2  ARG  18          3HG       ARG  18   1.521  -2.723 -27.626
  135    HG3  ARG  18          2HG       ARG  18   0.467  -4.103 -27.321
  136    HD2  ARG  18          3HD       ARG  18   2.771  -4.805 -27.230
  137    HD3  ARG  18          2HD       ARG  18   1.990  -5.520 -28.639
  138    HE   ARG  18           HE       ARG  18   3.096  -3.328 -29.693
  139   HH11  ARG  18          1HH1      ARG  18   4.380  -5.816 -27.604
  140   HH12  ARG  18          2HH1      ARG  18   6.006  -5.629 -28.168
  141   HH21  ARG  18          1HH2      ARG  18   5.230  -3.078 -30.449
  142   HH22  ARG  18          2HH2      ARG  18   6.493  -4.067 -29.793
  143    H    LYS  19           HN       LYS  19  -2.919  -1.288 -29.727
  144    HA   LYS  19           HA       LYS  19  -2.974  -1.980 -32.539
  145    HB2  LYS  19          3HB       LYS  19  -5.040  -2.048 -31.189
  146    HB3  LYS  19          2HB       LYS  19  -4.904  -0.323 -30.892
  147    HG2  LYS  19          3HG       LYS  19  -6.552  -0.815 -32.614
  148    HG3  LYS  19          2HG       LYS  19  -5.212   0.134 -33.255
  149    HD2  LYS  19          3HD       LYS  19  -5.811  -1.598 -34.830
  150    HD3  LYS  19          2HD       LYS  19  -4.218  -1.938 -34.158
  151    HE2  LYS  19          3HE       LYS  19  -5.235  -3.544 -32.601
  152    HE3  LYS  19          2HE       LYS  19  -6.817  -3.210 -33.302
  153    HZ1  LYS  19          1HZ       LYS  19  -6.012  -4.045 -35.423
  154    HZ2  LYS  19          2HZ       LYS  19  -5.851  -5.221 -34.219
  155    HZ3  LYS  19          3HZ       LYS  19  -4.493  -4.364 -34.746
  156    H    SER  20           HN       SER  20  -2.111   0.720 -30.546
  157    HA   SER  20           HA       SER  20  -0.837   2.042 -32.698
  158    HB2  SER  20          3HB       SER  20  -2.226   4.154 -32.608
  159    HB3  SER  20          2HB       SER  20  -3.034   2.777 -33.358
  160    HG   SER  20           HG       SER  20  -4.537   3.035 -31.926
  161    H    HIS  21           HN       HIS  21  -2.484   3.835 -30.144
  162    HA   HIS  21           HA       HIS  21   0.111   4.137 -28.772
  163    HB2  HIS  21          3HB       HIS  21  -0.655   6.301 -27.969
  164    HB3  HIS  21          2HB       HIS  21  -0.772   6.243 -29.722
  165    HD1  HIS  21          1HD       HIS  21  -2.727   6.956 -26.717
  166    HD2  HIS  21          2HD       HIS  21  -3.511   5.894 -30.661
  167    HE1  HIS  21          1HE       HIS  21  -5.157   7.476 -27.091
  168    HE2  HIS  21          2HE       HIS  21  -5.643   6.664 -29.426
  169    H    THR  22           HN       THR  22  -2.983   2.840 -28.583
  170    HA   THR  22           HA       THR  22  -3.605   3.199 -25.830
  171    HB   THR  22           HB       THR  22  -4.847   0.855 -26.528
  172    HG1  THR  22          1HG       THR  22  -5.489   1.609 -28.823
  173   HG21  THR  22          1HG2      THR  22  -5.908   2.885 -25.647
  174   HG22  THR  22          2HG2      THR  22  -6.768   2.282 -27.062
  175   HG23  THR  22          3HG2      THR  22  -5.697   3.677 -27.208
  176    H    SER  23           HN       SER  23  -0.815   1.826 -26.578
  177    HA   SER  23           HA       SER  23  -1.015  -0.173 -24.452
  178    HB2  SER  23          3HB       SER  23   0.665  -1.531 -25.752
  179    HB3  SER  23          2HB       SER  23  -0.929  -1.442 -26.502
  180    HG   SER  23           HG       SER  23   1.495  -0.343 -27.321
  181    H    LEU  24           HN       LEU  24   0.045   2.703 -25.144
  182    HA   LEU  24           HA       LEU  24   2.711   2.321 -23.970
  183    HB2  LEU  24          3HB       LEU  24   1.983   4.187 -26.230
  184    HB3  LEU  24          2HB       LEU  24   3.529   4.171 -25.406
  185    HG   LEU  24           HG       LEU  24   2.407   1.853 -26.978
  186   HD11  LEU  24          1HD1      LEU  24   2.901   3.710 -28.452
  187   HD12  LEU  24          2HD1      LEU  24   4.104   2.437 -28.651
  188   HD13  LEU  24          3HD1      LEU  24   4.499   3.887 -27.730
  189   HD21  LEU  24          1HD2      LEU  24   4.693   0.979 -26.797
  190   HD22  LEU  24          2HD2      LEU  24   3.922   1.152 -25.223
  191   HD23  LEU  24          3HD2      LEU  24   5.119   2.333 -25.754
  192    H    GLU  25           HN       GLU  25   0.172   4.701 -24.700
  193    HA   GLU  25           HA       GLU  25   0.127   5.700 -22.060
  194    HB2  GLU  25          3HB       GLU  25   2.244   6.744 -22.718
  195    HB3  GLU  25          2HB       GLU  25   1.464   7.464 -24.121
  196    HG2  GLU  25          3HG       GLU  25  -0.032   8.709 -22.596
  197    HG3  GLU  25          2HG       GLU  25   0.872   8.058 -21.232
  198    H    ASP  26           HN       ASP  26  -2.011   5.876 -21.980
  199    HA   ASP  26           HA       ASP  26  -3.153   8.040 -23.516
  200    HB2  ASP  26          3HB       ASP  26  -5.154   6.842 -24.120
  201    HB3  ASP  26          2HB       ASP  26  -3.762   6.038 -24.803
  202    H    ASP  27           HN       ASP  27  -4.774   9.092 -22.501
  203    HA   ASP  27           HA       ASP  27  -4.899   8.613 -19.624
  204    HB2  ASP  27          3HB       ASP  27  -5.554  10.979 -21.347
  205    HB3  ASP  27          2HB       ASP  27  -6.175  10.877 -19.703
  206    H    ASP  28           HN       ASP  28  -6.535   7.569 -22.155
  207    HA   ASP  28           HA       ASP  28  -9.228   7.939 -21.202
  208    HB2  ASP  28          3HB       ASP  28  -8.781   7.842 -23.613
  209    HB3  ASP  28          2HB       ASP  28  -8.147   6.212 -23.429
  210    H    ASP  29           HN       ASP  29  -7.219   5.165 -21.874
  211    HA   ASP  29           HA       ASP  29  -7.058   3.081 -20.981
  212    HB2  ASP  29          3HB       ASP  29  -6.065   4.579 -19.214
  213    HB3  ASP  29          2HB       ASP  29  -7.601   4.471 -18.360
  214    H    GLY  30           HN       GLY  30  -9.105   2.519 -22.054
  215    HA2  GLY  30          2HA       GLY  30 -11.583   2.564 -20.685
  216    HA3  GLY  30          1HA       GLY  30 -11.203   1.588 -22.093
  217    H    SER  31           HN       SER  31  -8.931   0.309 -20.634
  218    HA   SER  31           HA       SER  31 -10.559  -1.718 -19.299
  219    HB2  SER  31          3HB       SER  31  -7.665  -1.789 -20.188
  220    HB3  SER  31          2HB       SER  31  -8.572  -3.152 -19.536
  221    HG   SER  31           HG       SER  31  -9.184  -1.725 -21.916
  222    H    ARG  32           HN       ARG  32  -9.572   0.938 -18.200
  223    HA   ARG  32           HA       ARG  32  -8.242   1.808 -16.502
  224    HB2  ARG  32          3HB       ARG  32 -10.459   0.136 -15.429
  225    HB3  ARG  32          2HB       ARG  32  -9.368   0.929 -14.304
  226    HG2  ARG  32          3HG       ARG  32 -11.041   2.274 -16.413
  227    HG3  ARG  32          2HG       ARG  32 -11.323   2.292 -14.671
  228    HD2  ARG  32          3HD       ARG  32  -9.062   3.562 -16.200
  229    HD3  ARG  32          2HD       ARG  32 -10.286   4.355 -15.212
  230    HE   ARG  32           HE       ARG  32  -9.003   2.721 -13.458
  231   HH11  ARG  32          1HH1      ARG  32  -7.973   5.206 -15.676
  232   HH12  ARG  32          2HH1      ARG  32  -6.568   5.636 -14.759
  233   HH21  ARG  32          1HH2      ARG  32  -7.144   3.285 -12.221
  234   HH22  ARG  32          2HH2      ARG  32  -6.103   4.550 -12.791
  235    H    GLY  33           HN       GLY  33  -6.142   1.200 -16.482
  236    HA2  GLY  33          2HA       GLY  33  -5.000   0.010 -14.347
  237    HA3  GLY  33          1HA       GLY  33  -5.335  -1.360 -15.393
  238    H    GLY  34           HN       GLY  34  -4.645   1.654 -16.932
  239    HA2  GLY  34          2HA       GLY  34  -2.090   0.556 -17.850
  240    HA3  GLY  34          1HA       GLY  34  -2.952   1.913 -18.557
  241    H    ASP  35           HN       ASP  35  -2.889   2.105 -15.227
  242    HA   ASP  35           HA       ASP  35  -0.435   3.669 -15.131
  243    HB2  ASP  35          3HB       ASP  35  -2.059   5.343 -15.742
  244    HB3  ASP  35          2HB       ASP  35  -3.189   4.776 -14.521
  245    H    CYS  36           HN       CYS  36   0.190   4.196 -12.858
  246    HA   CYS  36           HA       CYS  36  -1.051   2.375 -10.911
  247    HB2  CYS  36          3HB       CYS  36   1.298   2.150  -9.953
  248    HB3  CYS  36          2HB       CYS  36   1.006   1.333 -11.483
  249    HG   CYS  36           HG       CYS  36   2.462   4.420 -11.331
  250    H    GLU  37           HN       GLU  37  -2.177   3.783  -9.718
  251    HA   GLU  37           HA       GLU  37  -0.733   5.939  -8.403
  252    HB2  GLU  37          3HB       GLU  37  -1.742   6.902 -10.474
  253    HB3  GLU  37          2HB       GLU  37  -3.323   6.409  -9.890
  254    HG2  GLU  37          3HG       GLU  37  -3.059   7.864  -7.945
  255    HG3  GLU  37          2HG       GLU  37  -1.483   8.371  -8.547
  256    H    GLY  38           HN       GLY  38  -1.211   3.879  -7.011
  257    HA2  GLY  38          2HA       GLY  38  -3.828   3.834  -5.799
  258    HA3  GLY  38          1HA       GLY  38  -2.397   3.001  -5.208
  259    H    CYS  39           HN       CYS  39  -1.813   3.677  -3.233
  260    HA   CYS  39           HA       CYS  39  -1.976   6.569  -2.713
  261    HB2  CYS  39          3HB       CYS  39  -2.201   5.880  -0.265
  262    HB3  CYS  39          2HB       CYS  39  -3.603   5.599  -1.290
  263    H    SER  40           HN       SER  40   0.200   5.998  -3.911
  264    HA   SER  40           HA       SER  40   2.212   4.611  -2.487
  265    HB2  SER  40          3HB       SER  40   3.701   5.774  -4.225
  266    HB3  SER  40          2HB       SER  40   2.443   4.685  -4.796
  267    HG   SER  40           HG       SER  40   2.783   7.221  -5.435
  268    H    GLY  41           HN       GLY  41   1.140   7.884  -2.579
  269    HA2  GLY  41          2HA       GLY  41   3.398   8.935  -1.079
  270    HA3  GLY  41          1HA       GLY  41   1.868   9.763  -1.299
  271    H    THR  42           HN       THR  42   1.669   6.554  -0.124
  272    HA   THR  42           HA       THR  42   1.419   7.568   2.639
  273    HB   THR  42           HB       THR  42  -0.055   5.199   1.465
  274    HG1  THR  42          1HG       THR  42  -0.573   7.600   0.865
  275   HG21  THR  42          1HG2      THR  42   0.316   5.071   3.883
  276   HG22  THR  42          2HG2      THR  42  -1.389   5.335   3.519
  277   HG23  THR  42          3HG2      THR  42  -0.388   6.674   4.081
  278    H    ALA  43           HN       ALA  43   3.199   6.960   3.684
  279    HA   ALA  43           HA       ALA  43   4.688   4.611   2.930
  280    HB1  ALA  43          1HB       ALA  43   6.197   5.236   4.743
  281    HB2  ALA  43          2HB       ALA  43   5.046   6.445   5.312
  282    HB3  ALA  43          3HB       ALA  43   5.826   6.640   3.743
  283    H    CYS  44           HN       CYS  44   4.401   2.709   3.565
  284    HA   CYS  44           HA       CYS  44   2.744   2.129   5.936
  285    HB2  CYS  44          3HB       CYS  44   2.544  -0.116   4.802
  286    HB3  CYS  44          2HB       CYS  44   1.787   1.230   3.954
  287    H    SER  45           HN       SER  45   3.833   1.398   7.657
  288    HA   SER  45           HA       SER  45   6.311  -0.090   7.194
  289    HB2  SER  45          3HB       SER  45   5.017   0.332   9.911
  290    HB3  SER  45          2HB       SER  45   6.698  -0.036   9.539
  291    HG   SER  45           HG       SER  45   5.592   2.320   8.503
  292    H    SER  46           HN       SER  46   2.947  -0.527   7.787
  293    HA   SER  46           HA       SER  46   3.390  -3.424   8.012
  294    HB2  SER  46          3HB       SER  46   1.014  -3.451   8.927
  295    HB3  SER  46          2HB       SER  46   2.223  -2.699   9.967
  296    HG   SER  46           HG       SER  46   1.517  -0.666   9.195
  297    H    ASP  47           HN       ASP  47   2.451  -4.743   6.511
  298    HA   ASP  47           HA       ASP  47   1.509  -3.657   4.102
  299    HB2  ASP  47          3HB       ASP  47   2.697  -5.853   4.394
  300    HB3  ASP  47          2HB       ASP  47   1.195  -6.507   5.039
  301    H    ALA  48           HN       ALA  48  -0.229  -4.676   7.003
  302    HA   ALA  48           HA       ALA  48  -2.553  -5.406   5.773
  303    HB1  ALA  48          1HB       ALA  48  -2.136  -4.421   8.578
  304    HB2  ALA  48          2HB       ALA  48  -2.000  -6.092   8.030
  305    HB3  ALA  48          3HB       ALA  48  -3.563  -5.276   7.994
  306    H    GLN  49           HN       GLN  49  -1.306  -2.268   6.646
  307    HA   GLN  49           HA       GLN  49  -3.870  -1.005   6.688
  308    HB2  GLN  49          3HB       GLN  49  -2.670   1.090   6.901
  309    HB3  GLN  49          2HB       GLN  49  -1.999  -0.097   8.005
  310    HG2  GLN  49          3HG       GLN  49  -0.113  -0.444   6.531
  311    HG3  GLN  49          2HG       GLN  49  -0.808   0.669   5.353
  312   HE21  GLN  49          1HE2      GLN  49  -0.979   1.210   8.795
  313   HE22  GLN  49          2HE2      GLN  49   0.097   2.564   8.830
  314    H    CYS  50           HN       CYS  50  -1.656  -2.002   4.329
  315    HA   CYS  50           HA       CYS  50  -2.568  -0.100   2.339
  316    HB2  CYS  50          3HB       CYS  50  -0.655  -2.436   2.100
  317    HB3  CYS  50          2HB       CYS  50  -1.329  -1.625   0.705
  318    H    ARG  51           HN       ARG  51  -3.217  -3.406   3.238
  319    HA   ARG  51           HA       ARG  51  -5.128  -3.784   1.150
  320    HB2  ARG  51          3HB       ARG  51  -4.830  -5.191   3.802
  321    HB3  ARG  51          2HB       ARG  51  -5.899  -5.690   2.513
  322    HG2  ARG  51          3HG       ARG  51  -4.236  -6.985   1.816
  323    HG3  ARG  51          2HG       ARG  51  -3.452  -5.499   1.268
  324    HD2  ARG  51          3HD       ARG  51  -1.893  -6.663   2.635
  325    HD3  ARG  51          2HD       ARG  51  -2.488  -5.261   3.544
  326    HE   ARG  51           HE       ARG  51  -4.163  -7.171   4.377
  327   HH11  ARG  51          1HH1      ARG  51  -0.676  -7.230   4.085
  328   HH12  ARG  51          2HH1      ARG  51  -0.471  -8.312   5.432
  329   HH21  ARG  51          1HH2      ARG  51  -3.889  -8.600   6.107
  330   HH22  ARG  51          2HH2      ARG  51  -2.292  -9.094   6.578
  331    H    ALA  52           HN       ALA  52  -5.098  -2.572   4.418
  332    HA   ALA  52           HA       ALA  52  -7.910  -2.337   4.744
  333    HB1  ALA  52          1HB       ALA  52  -7.406  -0.949   6.654
  334    HB2  ALA  52          2HB       ALA  52  -5.745  -0.737   6.103
  335    HB3  ALA  52          3HB       ALA  52  -6.303  -2.325   6.629
  336    H    ARG  53           HN       ARG  53  -5.435  -0.386   3.254
  337    HA   ARG  53           HA       ARG  53  -7.217   1.873   2.961
  338    HB2  ARG  53          3HB       ARG  53  -4.454   1.381   1.901
  339    HB3  ARG  53          2HB       ARG  53  -5.407   2.776   1.416
  340    HG2  ARG  53          3HG       ARG  53  -4.552   2.106   4.224
  341    HG3  ARG  53          2HG       ARG  53  -3.873   3.366   3.191
  342    HD2  ARG  53          3HD       ARG  53  -6.073   4.474   3.136
  343    HD3  ARG  53          2HD       ARG  53  -6.710   3.233   4.212
  344    HE   ARG  53           HE       ARG  53  -4.458   4.926   5.058
  345   HH11  ARG  53          1HH1      ARG  53  -7.730   3.754   5.519
  346   HH12  ARG  53          2HH1      ARG  53  -7.908   4.502   7.073
  347   HH21  ARG  53          1HH2      ARG  53  -4.703   5.905   7.101
  348   HH22  ARG  53          2HH2      ARG  53  -6.188   5.713   7.976
  349    H    GLY  54           HN       GLY  54  -7.281  -1.013   1.575
  350    HA2  GLY  54          2HA       GLY  54  -8.392  -1.805  -0.277
  351    HA3  GLY  54          1HA       GLY  54  -8.910  -0.155  -0.600
  352    H    CYS  55           HN       CYS  55  -5.856   0.385  -0.386
  353    HA   CYS  55           HA       CYS  55  -5.315   0.615  -3.094
  354    HB2  CYS  55          3HB       CYS  55  -3.473   0.650  -0.716
  355    HB3  CYS  55          2HB       CYS  55  -2.865   0.836  -2.360
  356    H    ASP  56           HN       ASP  56  -3.404  -1.741  -1.106
  357    HA   ASP  56           HA       ASP  56  -4.162  -4.041  -2.407
  358    HB2  ASP  56          3HB       ASP  56  -3.406  -3.219  -4.540
  359    HB3  ASP  56          2HB       ASP  56  -1.882  -2.660  -3.857
  360    H    GLY  57           HN       GLY  57  -0.960  -2.463  -1.825
  361    HA2  GLY  57          2HA       GLY  57  -0.444  -4.253   0.361
  362    HA3  GLY  57          1HA       GLY  57   0.381  -4.736  -1.109
  363    H    CYS  58           HN       CYS  58   1.464  -3.909   1.400
  364    HA   CYS  58           HA       CYS  58   2.760  -1.380   0.876
  365    HB2  CYS  58          3HB       CYS  58   2.260  -2.189   3.185
  366    HB3  CYS  58          2HB       CYS  58   3.426  -3.490   2.942
  367    H    SER  59           HN       SER  59   4.759  -1.116  -0.043
  368    HA   SER  59           HA       SER  59   5.950  -3.604  -1.058
  369    HB2  SER  59          3HB       SER  59   6.347  -0.753  -1.993
  370    HB3  SER  59          2HB       SER  59   7.103  -2.177  -2.712
  371    HG   SER  59           HG       SER  59   4.316  -1.705  -2.502
  372    H    THR  60           HN       THR  60   8.377  -3.721  -1.134
  373    HA   THR  60           HA       THR  60   9.524  -3.688   1.338
  374    HB   THR  60           HB       THR  60  11.442  -2.904  -0.816
  375    HG1  THR  60          1HG       THR  60  10.353  -5.510  -0.876
  376   HG21  THR  60          1HG2      THR  60  12.652  -4.814   0.098
  377   HG22  THR  60          2HG2      THR  60  11.288  -5.194   1.149
  378   HG23  THR  60          3HG2      THR  60  12.187  -3.693   1.378
  379    H    SER  61           HN       SER  61   9.344  -0.766  -0.707
  380    HA   SER  61           HA       SER  61  11.191   0.595   1.052
  381    HB2  SER  61          3HB       SER  61   9.817   1.565  -1.455
  382    HB3  SER  61          2HB       SER  61  11.098   2.409  -0.588
  383    HG   SER  61           HG       SER  61  11.230   0.173  -2.240
  384    H    GLY  62           HN       GLY  62   8.432  -0.177   1.918
  385    HA2  GLY  62          2HA       GLY  62   6.844   0.715   3.293
  386    HA3  GLY  62          1HA       GLY  62   7.961   2.044   3.537
  387    H    VAL  63           HN       VAL  63   6.369   1.101   0.515
  388    HA   VAL  63           HA       VAL  63   4.818   3.597   0.688
  389    HB   VAL  63           HB       VAL  63   4.914   3.805  -1.760
  390   HG11  VAL  63          1HG1      VAL  63   6.480   5.050  -0.378
  391   HG12  VAL  63          2HG1      VAL  63   7.226   4.589  -1.910
  392   HG13  VAL  63          3HG1      VAL  63   7.616   3.703  -0.433
  393   HG21  VAL  63          1HG2      VAL  63   6.522   2.511  -3.063
  394   HG22  VAL  63          2HG2      VAL  63   5.314   1.457  -2.327
  395   HG23  VAL  63          3HG2      VAL  63   6.931   1.567  -1.633
  396    H    CYS  64           HN       CYS  64   2.729   3.559  -0.433
  397    HA   CYS  64           HA       CYS  64   1.637   0.833  -0.057
  398    HB2  CYS  64          3HB       CYS  64   0.942   2.866   1.445
  399    HB3  CYS  64          2HB       CYS  64  -0.040   3.323   0.059
  400    H    VAL  65           HN       VAL  65   1.213  -0.143  -1.946
  401    HA   VAL  65           HA       VAL  65   0.109   1.371  -4.190
  402    HB   VAL  65           HB       VAL  65   1.940   0.920  -5.704
  403   HG11  VAL  65          1HG1      VAL  65   3.083   1.942  -3.138
  404   HG12  VAL  65          2HG1      VAL  65   2.155   2.896  -4.293
  405   HG13  VAL  65          3HG1      VAL  65   3.721   2.228  -4.757
  406   HG21  VAL  65          1HG2      VAL  65   2.619  -1.265  -4.846
  407   HG22  VAL  65          2HG2      VAL  65   3.297  -0.491  -3.415
  408   HG23  VAL  65          3HG2      VAL  65   4.003  -0.184  -5.000
  409    H    LEU  66           HN       LEU  66   0.150  -0.310  -6.234
  410    HA   LEU  66           HA       LEU  66  -0.610  -2.925  -5.439
  411    HB2  LEU  66          3HB       LEU  66  -0.413  -3.554  -7.758
  412    HB3  LEU  66          2HB       LEU  66  -1.189  -1.992  -7.657
  413    HG   LEU  66           HG       LEU  66   1.736  -2.327  -8.331
  414   HD11  LEU  66          1HD1      LEU  66   0.408  -3.504  -9.989
  415   HD12  LEU  66          2HD1      LEU  66   1.077  -2.022 -10.670
  416   HD13  LEU  66          3HD1      LEU  66  -0.620  -2.087 -10.197
  417   HD21  LEU  66          1HD2      LEU  66   1.465  -0.077  -9.298
  418   HD22  LEU  66          2HD2      LEU  66   1.153  -0.102  -7.564
  419   HD23  LEU  66          3HD2      LEU  66  -0.193  -0.035  -8.700
  420    H    SER  67           HN       SER  67   0.886  -3.611  -3.956
  421    HA   SER  67           HA       SER  67   3.581  -3.235  -3.782
  422    HB2  SER  67          3HB       SER  67   3.557  -5.574  -2.626
  423    HB3  SER  67          2HB       SER  67   2.635  -4.247  -1.923
  424    HG   SER  67           HG       SER  67   0.847  -5.184  -3.339
  425    H    SER  68           HN       SER  68   4.915  -3.475  -5.691
  426    HA   SER  68           HA       SER  68   5.181  -5.544  -7.402
  427    HB2  SER  68          3HB       SER  68   7.569  -4.417  -5.940
  428    HB3  SER  68          2HB       SER  68   7.475  -4.961  -7.615
  429    HG   SER  68           HG       SER  68   6.218  -3.180  -8.108
  430    H    LEU  69           HN       LEU  69   7.486  -5.644  -4.659
  431    HA   LEU  69           HA       LEU  69   6.387  -8.219  -3.887
  432    HB2  LEU  69          3HB       LEU  69   8.762  -9.082  -3.570
  433    HB3  LEU  69          2HB       LEU  69   8.120  -9.050  -5.191
  434    HG   LEU  69           HG       LEU  69  10.529  -8.428  -4.993
  435   HD11  LEU  69          1HD1      LEU  69   8.708  -6.331  -6.143
  436   HD12  LEU  69          2HD1      LEU  69   9.293  -7.782  -6.953
  437   HD13  LEU  69          3HD1      LEU  69  10.424  -6.506  -6.506
  438   HD21  LEU  69          1HD2      LEU  69  10.471  -7.177  -2.919
  439   HD22  LEU  69          2HD2      LEU  69   9.467  -5.939  -3.674
  440   HD23  LEU  69          3HD2      LEU  69  11.123  -6.189  -4.226
  441    H    HIS  70           HN       HIS  70   7.464  -8.972  -1.781
  442    HA   HIS  70           HA       HIS  70   7.648  -6.631  -0.024
  443    HB2  HIS  70          3HB       HIS  70   6.958  -9.520   0.533
  444    HB3  HIS  70          2HB       HIS  70   7.265  -8.349   1.811
  445    HD1  HIS  70          1HD       HIS  70   4.845  -8.998  -1.029
  446    HD2  HIS  70          2HD       HIS  70   5.137  -6.742   2.448
  447    HE1  HIS  70          1HE       HIS  70   2.593  -7.929  -0.725
  448    HE2  HIS  70          2HE       HIS  70   2.831  -6.454   1.306
  449    H    HIS  71           HN       HIS  71   9.017  -9.914  -0.080
  450    HA   HIS  71           HA       HIS  71  11.064 -10.733   0.409
  451    HB2  HIS  71          3HB       HIS  71  11.819  -8.172  -0.984
  452    HB3  HIS  71          2HB       HIS  71  13.022  -9.342  -0.459
  453    HD1  HIS  71          1HD       HIS  71  12.686  -8.686  -3.448
  454    HD2  HIS  71          2HD       HIS  71  10.780 -11.838  -1.520
  455    HE1  HIS  71          1HE       HIS  71  12.103 -10.332  -5.253
  456    HE2  HIS  71          2HE       HIS  71  11.102 -12.300  -4.044
  457    H    HIS  72           HN       HIS  72  10.588 -10.567   2.683
  458    HA   HIS  72           HA       HIS  72  12.583  -8.852   3.989
  459    HB2  HIS  72          3HB       HIS  72   9.736  -9.296   4.893
  460    HB3  HIS  72          2HB       HIS  72  10.995  -8.700   5.967
  461    HD1  HIS  72          1HD       HIS  72   8.364  -7.464   3.966
  462    HD2  HIS  72          2HD       HIS  72  12.286  -6.273   4.645
  463    HE1  HIS  72          1HE       HIS  72   8.469  -5.047   3.283
  464    HE2  HIS  72          2HE       HIS  72  10.786  -4.299   3.917
  465    H    HIS  73           HN       HIS  73  13.303 -11.232   3.261
  466    HA   HIS  73           HA       HIS  73  13.178 -12.873   5.706
  467    HB2  HIS  73          3HB       HIS  73  11.988 -13.968   3.864
  468    HB3  HIS  73          2HB       HIS  73  13.406 -13.809   2.836
  469    HD1  HIS  73          1HD       HIS  73  14.766 -15.861   2.692
  470    HD2  HIS  73          2HD       HIS  73  12.681 -15.645   6.284
  471    HE1  HIS  73          1HE       HIS  73  15.271 -18.007   3.900
  472    HE2  HIS  73          2HE       HIS  73  14.081 -17.812   6.110
  473    H    HIS  74           HN       HIS  74  15.096 -11.442   3.211
  474    HA   HIS  74           HA       HIS  74  17.528 -11.904   4.705
  475    HB2  HIS  74          3HB       HIS  74  17.373 -13.929   3.314
  476    HB3  HIS  74          2HB       HIS  74  17.198 -12.937   1.877
  477    HD1  HIS  74          1HD       HIS  74  19.290 -12.522   0.626
  478    HD2  HIS  74          2HD       HIS  74  20.011 -13.502   4.600
  479    HE1  HIS  74          1HE       HIS  74  21.787 -12.730   0.828
  480    HE2  HIS  74          2HE       HIS  74  22.169 -13.549   3.182
  481    H    HIS  75           HN       HIS  75  16.760 -11.104   1.332
  482    HA   HIS  75           HA       HIS  75  16.730  -8.319   1.697
  483    HB2  HIS  75          3HB       HIS  75  19.194  -8.666   1.976
  484    HB3  HIS  75          2HB       HIS  75  19.243  -9.334   0.347
  485    HD1  HIS  75          1HD       HIS  75  18.899  -7.671  -1.630
  486    HD2  HIS  75          2HD       HIS  75  18.990  -5.885   2.124
  487    HE1  HIS  75          1HE       HIS  75  19.169  -5.209  -2.060
  488    HE2  HIS  75          2HE       HIS  75  19.080  -4.136   0.219