*HEADER   CALCIUM CHANNEL BLOCKER                 26-MAY-98   1BF0    
*TITLE    CALCICLUDINE (CAC) FROM GREEN MAMBA DENDROASPIS ANGUSTICEPS,
*TITLE   2 NMR, 15 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CALCICLUDINE;                                    
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: DENDROASPIS ANGUSTICEPS;              
*SOURCE  4 ORGANISM_COMMON: EASTERN GREEN MAMBA                       
*KEYWDS   CALCIUM CHANNEL BLOCKER                                     
*EXPDTA   NMR, 15 STRUCTURES                                          
*AUTHOR   B.GILQUIN,A.LECOQ,F.DESNE,M.GUENNEUGUES,S.ZINN-JUSTIN,      
*AUTHOR  2 A.MENEZ                                                    
*REVDAT  1   13-JAN-99 1BF0    0                                      
 
! peak number d 442  F1=  4.168  F2=  3.435   null   null  d=  2.9
assi (( resid  1 and name HA))
     (( resid  1 and name HB2))
             2.9 1.29 1.29
! peak number d 443  F1=  4.155  F2=  3.221   null   null  d=  3.1
assi (( resid  1 and name HA))
     (( resid  1 and name HB3))
             3.1 0.77 0.77
! peak number d 988  F1=  1.062  F2=  3.235   null   null  d=  4.5
assi (( resid  1 and name HB3))
     (( resid  60 and name HG*))
             4.5 1.13 1.13
! peak number d 1109  F1=  3.888  F2=  7.254   null   null  d=  3.9
assi (( resid  1 and name HD1))
     (( resid  4 and name HD2))
             3.9 0.96 0.96
! peak number d 753  F1=  7.248  F2=  3.687   null   null  d=  3.6
assi (( resid  1 and name HD1))
     (( resid  4 and name HD3))
             3.6 0.90 0.90
! peak number d 764  F1=  7.249  F2=  4.946   null   null  d=  3.6
assi (( resid  1 and name HD1))
     (( resid  57 and name HA))
             3.6 0.90 0.90
! peak number h 288  F1=  7.250  F2=  9.939   null   null  d=  2.6
assi (( resid  1 and name HE1))
     (( resid  1 and name HD1))
             2.6 0.65 0.65
! peak number h 248  F1=  7.260  F2=  6.921   null   null  d=  2.4
assi (( resid  1 and name HE3))
     (( resid  1 and name HZ3))
             2.4 0.60 0.60
! peak number d 1023  F1=  7.240  F2=  4.549   null   null  d=  4.0
assi (( resid  1 and name HE3))
     (( resid  58 and name HA))
             4.0 1.00 1.00
! peak number d 773  F1=  7.238  F2=  4.177   null   null  d=  3.5
assi (( resid  1 and name HE3) or ( resid 1 and name HD1))
     (( resid  1 and name HA))
             3.5 0.88 0.88
! peak number d 134  F1=  7.240  F2=  3.436   null   null  d=  3.2
assi (( resid  1 and name HE3) or ( resid 1 and name HD1))
     (( resid  1 and name HB2))
             3.2 0.81 0.81
! peak number d 146  F1=  7.237  F2=  3.219   null   null  d=  3.5
assi (( resid  1 and name HE3) or ( resid 1 and name HD1))
     (( resid  1 and name HB3))
             3.5 0.88 0.88
! peak number d 125  F1=  7.250  F2=  4.105   null   null  d=  3.3
assi (( resid  1 and name HE3) or ( resid 1 and name HD1))
     (( resid  3 and name HA))
             3.3 0.84 0.84
! peak number d 242  F1=  4.151  F2=  7.252   null   null  d=  3.4
assi (( resid  1 and name HE3) or ( resid 1 and name HD1))
     (( resid  56 and name HA) or ( resid 1 and name HA))
             3.4 0.85 0.85
! peak number d 1403  F1=  3.025  F2=  7.229   null   null  d=  4.1
assi (( resid  1 and name HE3) or ( resid 1 and name HD1))
     (( resid  59 and name HA1))
             4.1 1.02 1.02
! peak number d 162  F1=  7.241  F2=  2.479   null   null  d=  3.5
assi (( resid  1 and name HE3) or ( resid 1 and name HD1))
     (( resid  59 and name HA2))
             3.5 0.88 0.88
! peak number h 1071  F1=  1.790  F2=  6.909   null   null  d=  4.5
assi (( resid  1 and name HH2))
     (( resid  3 and name HB3))
             4.5 1.90 1.90
! peak number d 1242  F1=  6.940  F2=  3.226   null   null  d=  4.1
assi (( resid  1 and name HH2))
     (( resid  30 and name HA) or ( resid 1 and name HB3))
             4.1 1.02 1.02
! peak number d 289  F1=  2.471  F2=  6.931   null   null  d=  3.2
assi (( resid  1 and name HH2))
     (( resid  30 and name HE3) or ( resid 3 and name HB2))
             3.2 0.80 0.80
! peak number d 544  F1=  7.380  F2=  6.944   null   null  d=  2.5
assi (( resid  1 and name HZ2))
     (( resid  1 and name HH2))
             2.5 0.63 0.63
! peak number d 751  F1=  7.380  F2=  3.428   null   null  d=  5.0
assi (( resid  1 and name HZ2))
     (( resid  27 and name HB2) or ( resid 1 and name HB2))
             5.0 2.60 2.60
! peak number d 1110  F1=  3.873  F2=  7.371   null   null  d=  2.8
assi (( resid  1 and name HZ2))
     (( resid  4 and name HD2))
             2.8 0.70 0.70
! peak number d 769  F1=  6.915  F2=  4.111   null   null  d=  3.5
assi (( resid  1 and name HZ3) or ( resid 1 and name HH2))
     (( resid  3 and name HA))
             3.5 0.86 0.86
! peak number d 742  F1=  6.924  F2=  2.203   null   null  d=  3.3
assi (( resid  1 and name HZ3) or ( resid 1 and name HH2))
     (( resid  3 and name HG2))
             3.3 0.82 0.82
! peak number d 163  F1=  6.920  F2=  2.481   null   null  d=  3.1
assi (( resid  1 and name HZ3) or ( resid 1 and name HH2))
     (( resid  30 and name HE3) or ( resid 3 and name HB2))
             3.1 0.78 0.78
! peak number d 934  F1=  6.916  F2=  4.937   null   null  d=  3.8
assi (( resid  1 and name HZ3) or ( resid 1 and name HH2))
     (( resid  57 and name HA))
             3.8 0.95 0.95
! peak number h 851  F1=  6.925  F2=  1.441   null   null  d=  3.6
assi (( resid  1 and name HZ3) or ( resid 1 and name HH2))
     (( resid  58 and name HG))
             3.6 0.90 0.90
! peak number d 400  F1=  4.645  F2=  2.343   null   null  d=  2.5
assi (( resid  10 and name HA))
     (( resid  10 and name HB*))
             2.5 0.62 0.62
! peak number d 343  F1=  1.913  F2=  4.656   null   null  d=  3.0
assi (( resid  10 and name HA))
     (( resid  10 and name HG3))
             3.0 0.80 0.80
! peak number d 460  F1=  3.797  F2=  2.138   null   null  d=  2.9
assi (( resid  10 and name HD2))
     (( resid  10 and name HG2))
             2.9 0.72 0.72
! peak number d 466  F1=  3.796  F2=  1.886   null   null  d=  2.8
assi (( resid  10 and name HD2))
     (( resid  10 and name HG3))
             2.8 0.70 0.70
! peak number d 454  F1=  3.802  F2=  2.252   null   null  d=  3.6
assi (( resid  10 and name HD2))
     (( resid  9 and name HG2))
             3.6 0.91 0.91
! peak number h 1002  F1=  3.686  F2=  2.123   null   null  d=  3.4
assi (( resid  10 and name HD3))
     (( resid  10 and name HG2))
             3.4 0.84 0.84
! peak number d 523  F1=  2.248  F2=  3.688   null   null  d=  2.7
assi (( resid  10 and name HD3))
     (( resid  9 and name HG2))
             2.7 0.68 0.68
! peak number d 376  F1=  3.895  F2=  0.451   null   null  d=  2.7
assi (( resid  11 and name HA))
     (( resid  11 and name HB))
             2.7 0.68 0.68
! peak number d 372  F1=  0.319  F2=  3.904   null   null  d=  3.5
assi (( resid  11 and name HA))
     (( resid  11 and name HG1*))
             3.5 0.88 0.88
! peak number d 369  F1=  -0.729  F2=  3.907   null   null  d=  2.6
assi (( resid  11 and name HA))
     (( resid  11 and name HG2*))
             2.6 0.65 0.65
! peak number d 696  F1=  -0.725  F2=  0.448   null   null  d=  2.4
assi (( resid  11 and name HB))
     (( resid  11 and name HG2*))
             2.4 0.60 0.60
! peak number d 695  F1=  -0.725  F2=  0.324   null   null  d=  2.4
assi (( resid  11 and name HG1*))
     (( resid  11 and name HG2*))
             2.4 0.60 0.60
! peak number h 826  F1=  7.704  F2=  2.340   null   null  d=  4.5
assi (( resid  11 and name HN))
     (( resid  10 and name HB*))
             4.5 1.13 1.13
! peak number h 390  F1=  0.449  F2=  7.705   null   null  d=  2.7
assi (( resid  11 and name HN))
     (( resid  11 and name HB))
             2.7 0.68 0.68
! peak number h 391  F1=  0.322  F2=  7.703   null   null  d=  2.5
assi (( resid  11 and name HN))
     (( resid  11 and name HG1*))
             2.5 0.62 0.62
! peak number d 1090  F1=  4.677  F2=  0.325   null   null  d=  3.6
assi (( resid  12 and name HA))
     (( resid  11 and name HG1*))
             3.6 0.90 0.90
! peak number d 1088  F1=  4.695  F2=  -0.714   null   null  d=  4.0
assi (( resid  12 and name HA))
     (( resid  11 and name HG2*))
             4.0 1.00 1.00
! peak number d 344  F1=  1.841  F2=  4.703   null   null  d=  2.9
assi (( resid  12 and name HA))
     (( resid  12 and name HB2))
             2.9 0.71 0.71
! peak number d 367  F1=  1.502  F2=  4.697   null   null  d=  3.2
assi (( resid  12 and name HA))
     (( resid  12 and name HB3))
             3.2 0.80 0.80
! peak number d 339  F1=  3.194  F2=  4.699   null   null  d=  2.6
assi (( resid  12 and name HA))
     (( resid  12 and name HD*))
             2.6 0.66 0.66
! peak number d 366  F1=  1.598  F2=  4.677   null   null  d=  2.4
assi (( resid  12 and name HA))
     (( resid  12 and name HG3))
             2.4 0.60 0.60
! peak number d 1350  F1=  1.828  F2=  -0.720   null   null  d=  3.8
assi (( resid  12 and name HB2))
     (( resid  11 and name HG2*))
             3.8 0.95 0.95
! peak number d 1119  F1=  3.185  F2=  1.636   null   null  d=  2.5
assi (( resid  12 and name HD*))
     (( resid  12 and name HG2))
             2.5 0.62 0.62
! peak number h 488  F1=  7.173  F2=  3.191   null   null  d=  3.5
assi (( resid  12 and name HE))
     (( resid  12 and name HD*))
             3.5 0.86 0.86
! peak number h 1074  F1=  7.170  F2=  1.613   null   null  d=  4.5
assi (( resid  12 and name HE))
     (( resid  12 and name HG3))
             4.5 1.13 1.13
! peak number h 131  F1=  7.759  F2=  3.902   null   null  d=  2.3
assi (( resid  12 and name HN))
     (( resid  11 and name HA))
             2.3 0.57 0.57
! peak number h 308  F1=  7.750  F2=  -0.724   null   null  d=  2.8
assi (( resid  12 and name HN))
     (( resid  11 and name HG2*))
             2.8 0.70 0.70
! peak number h 844  F1=  7.753  F2=  1.843   null   null  d=  3.3
assi (( resid  12 and name HN))
     (( resid  12 and name HB2))
             3.3 0.84 0.84
! peak number h 658  F1=  7.750  F2=  1.525   null   null  d=  3.3
assi (( resid  12 and name HN))
     (( resid  12 and name HB3))
             3.3 0.84 0.84
! peak number d 419  F1=  4.262  F2=  1.561   null   null  d=  2.5
assi (( resid  13 and name HA))
     (( resid  13 and name HG1*))
             2.5 0.62 0.62
! peak number h 1045  F1=  8.727  F2=  -0.729   null   null  d=  4.0
assi (( resid  13 and name HN))
     (( resid  11 and name HG2*))
             4.0 1.00 1.00
! peak number h 429  F1=  8.733  F2=  4.697   null   null  d=  2.1
assi (( resid  13 and name HN))
     (( resid  12 and name HA))
             2.1 0.53 0.53
! peak number h 1083  F1=  8.726  F2=  3.189   null   null  d=  4.6
assi (( resid  13 and name HN))
     (( resid  12 and name HD*))
             4.6 1.15 1.15
! peak number h 28  F1=  8.728  F2=  4.263   null   null  d=  3.1
assi (( resid  13 and name HN))
     (( resid  13 and name HA))
             3.1 0.78 0.78
! peak number h 37  F1=  8.732  F2=  2.041   null   null  d=  2.5
assi (( resid  13 and name HN))
     (( resid  13 and name HB))
             2.5 0.62 0.62
! peak number h 838  F1=  8.732  F2=  1.071   null   null  d=  4.3
assi (( resid  13 and name HN))
     (( resid  13 and name HD1*))
             4.3 1.30 1.30
! peak number h 41  F1=  8.728  F2=  1.558   null   null  d=  3.0
assi (( resid  13 and name HN))
     (( resid  13 and name HG1*))
             3.0 0.76 0.76
! peak number h 452  F1=  8.730  F2=  1.299   null   null  d=  3.6
assi (( resid  13 and name HN))
     (( resid  13 and name HG2*))
             3.6 1.00 1.00
! peak number h 763  F1=  8.603  F2=  8.735   null   null  d=  2.3
assi (( resid  13 and name HN))
     (( resid  14 and name HN))
             2.3 0.57 0.57
! peak number d 2  F1=  5.260  F2=  3.929   null   null  d=  2.2
assi (( resid  14 and name HA1))
     (( resid  14 and name HA2))
             2.2 0.75 0.75
! peak number d 1060  F1=  5.264  F2=  4.086   null   null  d=  3.5
assi (( resid  14 and name HA1))
     (( resid  41 and name HA1))
             3.5 0.88 0.88
! peak number h 38  F1=  8.598  F2=  2.030   null   null  d=  3.1
assi (( resid  14 and name HN))
     (( resid  13 and name HB))
             3.1 0.79 0.79
! peak number h 438  F1=  8.598  F2=  5.254   null   null  d=  3.3
assi (( resid  14 and name HN))
     (( resid  14 and name HA1))
             3.3 0.82 0.82
! peak number h 518  F1=  3.925  F2=  8.599   null   null  d=  2.7
assi (( resid  14 and name HN))
     (( resid  14 and name HA2))
             2.7 0.69 0.69
! peak number h 796  F1=  8.600  F2=  4.266   null   null  d=  3.4
assi (( resid  14 and name HN))
     (( resid  42 and name HA1) or ( resid 13 and name HA))
             3.4 0.85 0.85
! peak number d 1394  F1=  4.063  F2=  3.818   null   null  d=  1.8
assi (( resid  15 and name HB2))
     (( resid  15 and name HB3))
             1.8 0.45 0.45
! peak number h 201  F1=  7.320  F2=  5.271   null   null  d=  2.9
assi (( resid  15 and name HN))
     (( resid  14 and name HA1))
             2.9 0.72 0.72
! peak number h 753  F1=  3.926  F2=  7.324   null   null  d=  3.5
assi (( resid  15 and name HN))
     (( resid  14 and name HA2))
             3.5 0.89 0.89
! peak number d 30  F1=  4.836  F2=  2.609   null   null  d=  3.3
assi (( resid  16 and name HA))
     (( resid  16 and name HB3))
             3.3 0.82 0.82
! peak number d 1086  F1=  4.833  F2=  1.416   null   null  d=  3.9
assi (( resid  16 and name HA))
     (( resid  17 and name HG3))
             3.9 0.97 0.97
! peak number d 593  F1=  3.442  F2=  2.616   null   null  d=  1.8
assi (( resid  16 and name HB2))
     (( resid  16 and name HB3))
             1.8 0.45 0.45
! peak number h 212  F1=  8.044  F2=  7.310   null   null  d=  3.0
assi (( resid  16 and name HN))
     (( resid  15 and name HN))
             3.0 0.76 0.76
! peak number h 444  F1=  8.042  F2=  4.836   null   null  d=  3.0
assi (( resid  16 and name HN))
     (( resid  16 and name HA))
             3.0 0.75 0.75
! peak number h 347  F1=  2.615  F2=  8.038   null   null  d=  2.8
assi (( resid  16 and name HN))
     (( resid  16 and name HB3))
             2.8 0.70 0.70
! peak number h 83  F1=  8.040  F2=  3.820   null   null  d=  3.1
assi (( resid  16 and name HN))
     (( resid  38 and name HB2))
             3.1 0.78 0.78
! peak number d 401  F1=  4.633  F2=  2.125   null   null  d=  2.5
assi (( resid  17 and name HA))
     (( resid  17 and name HD*))
             2.5 0.62 0.62
! peak number d 1085  F1=  4.638  F2=  1.415   null   null  d=  3.2
assi (( resid  17 and name HA))
     (( resid  17 and name HG3))
             3.2 0.80 0.80
! peak number d 1065  F1=  4.645  F2=  3.819   null   null  d=  2.8
assi (( resid  17 and name HA) or ( resid 10 and name HA))
     (( resid  38 and name HB2) or ( resid 10 and name HD2))
             2.8 0.70 0.70
! peak number d 1122  F1=  2.949  F2=  1.597   null   null  d=  2.7
assi (( resid  17 and name HE*))
     (( resid  17 and name HB*))
             2.7 0.68 0.68
! peak number h 436  F1=  8.492  F2=  4.847   null   null  d=  2.7
assi (( resid  17 and name HN))
     (( resid  16 and name HA))
             2.7 0.68 0.68
! peak number h 326  F1=  3.464  F2=  8.478   null   null  d=  2.5
assi (( resid  17 and name HN))
     (( resid  16 and name HB2))
             2.5 0.61 0.61
! peak number h 455  F1=  8.483  F2=  2.608   null   null  d=  3.1
assi (( resid  17 and name HN))
     (( resid  16 and name HB3))
             3.1 0.79 0.79
! peak number h 631  F1=  8.478  F2=  4.635   null   null  d=  3.0
assi (( resid  17 and name HN))
     (( resid  17 and name HA))
             3.0 0.75 0.75
! peak number h 54  F1=  8.484  F2=  1.588   null   null  d=  2.7
assi (( resid  17 and name HN))
     (( resid  17 and name HB*))
             2.7 0.68 0.68
! peak number h 840  F1=  8.477  F2=  2.108   null   null  d=  3.8
assi (( resid  17 and name HN))
     (( resid  17 and name HD*))
             3.8 1.00 1.00
! peak number h 449  F1=  8.478  F2=  1.290   null   null  d=  3.8
assi (( resid  17 and name HN))
     (( resid  17 and name HG2))
             3.8 1.60 1.60
! peak number h 650  F1=  8.478  F2=  1.397   null   null  d=  3.4
assi (( resid  17 and name HN))
     (( resid  17 and name HG3))
             3.4 0.85 0.85
! peak number h 219  F1=  8.485  F2=  7.784   null   null  d=  3.0
assi (( resid  17 and name HN))
     (( resid  18 and name HN))
             3.0 0.74 0.74
! peak number d 1369  F1=  2.962  F2=  1.425   null   null  d=  3.5
assi (( resid  18 and name HE*) or ( resid 17 and name HE*))
     (( resid  18 and name HG3) or ( resid 17 and name HG3))
             3.5 0.88 0.88
! peak number h 823  F1=  7.790  F2=  4.348   null   null  d=  3.4
assi (( resid  18 and name HN))
     (( resid  18 and name HA))
             3.4 0.85 0.85
! peak number h 464  F1=  7.786  F2=  1.394   null   null  d=  2.9
assi (( resid  18 and name HN))
     (( resid  18 and name HB*))
             2.9 0.72 0.72
! peak number h 845  F1=  7.785  F2=  1.288   null   null  d=  3.4
assi (( resid  18 and name HN))
     (( resid  18 and name HG2) or ( resid 17 and name HG2))
             3.4 0.85 0.85
! peak number h 824  F1=  7.787  F2=  4.474   null   null  d=  3.1
assi (( resid  18 and name HN))
     (( resid  38 and name HA))
             3.1 0.78 0.78
! peak number d 411  F1=  4.245  F2=  1.698   null   null  d=  2.6
assi (( resid  19 and name HA))
     (( resid  19 and name HB3))
             2.6 0.65 0.65
! peak number d 382  F1=  4.246  F2=  0.956   null   null  d=  3.2
assi (( resid  19 and name HA))
     (( resid  36 and name HB3))
             3.2 0.81 0.81
! peak number d 1082  F1=  4.261  F2=  1.078   null   null  d=  4.0
assi (( resid  19 and name HA) or ( resid 13 and name HA))
     (( resid  13 and name HD1*))
             4.0 1.00 1.00
! peak number d 408  F1=  4.258  F2=  1.309   null   null  d=  2.5
assi (( resid  19 and name HA) or ( resid 13 and name HA))
     (( resid  13 and name HG2*))
             2.5 0.62 0.62
! peak number d 657  F1=  1.298  F2=  4.267   null   null  d=  2.7
assi (( resid  19 and name HA) or ( resid 13 and name HA))
     (( resid  18 and name HG2) or ( resid 13 and name HG2*))
             2.7 0.68 0.68
! peak number d 394  F1=  4.251  F2=  2.059   null   null  d=  2.6
assi (( resid  19 and name HA) or ( resid 13 and name HA))
     (( resid  19 and name HG3) or ( resid 13 and name HB))
             2.6 0.65 0.65
! peak number d 893  F1=  1.074  F2=  1.823   null   null  d=  2.1
assi (( resid  19 and name HB2))
     (( resid  13 and name HD1*))
             2.1 0.53 0.53
! peak number d 981  F1=  0.831  F2=  1.837   null   null  d=  2.4
assi (( resid  19 and name HB2))
     (( resid  36 and name HD1*))
             2.4 0.60 0.60
! peak number d 837  F1=  1.830  F2=  0.682   null   null  d=  3.3
assi (( resid  19 and name HB2))
     (( resid  36 and name HD2*))
             3.3 0.82 0.82
! peak number h 229  F1=  7.411  F2=  6.683   null   null  d=  1.9
assi (( resid  19 and name HE22))
     (( resid  19 and name HE21))
             1.9 0.46 0.46
! peak number h 696  F1=  7.410  F2=  2.066   null   null  d=  4.8
assi (( resid  19 and name HE22))
     (( resid  19 and name HG3))
             4.8 1.20 1.20
! peak number d 974  F1=  0.798  F2=  2.067   null   null  d=  3.4
assi (( resid  19 and name HG3))
     (( resid  36 and name HD1*))
             3.4 0.85 0.85
! peak number d 1354  F1=  0.684  F2=  2.077   null   null  d=  3.6
assi (( resid  19 and name HG3) or ( resid 19 and name HG2))
     (( resid  36 and name HD2*))
             3.6 0.90 0.90
! peak number h 136  F1=  7.612  F2=  4.342   null   null  d=  2.7
assi (( resid  19 and name HN))
     (( resid  18 and name HA))
             2.7 0.68 0.68
! peak number h 568  F1=  1.380  F2=  7.607   null   null  d=  3.3
assi (( resid  19 and name HN))
     (( resid  18 and name HB*))
             3.3 0.82 0.82
! peak number h 57  F1=  7.620  F2=  1.260   null   null  d=  2.5
assi (( resid  19 and name HN))
     (( resid  18 and name HG2))
             2.5 0.62 0.62
! peak number h 135  F1=  7.613  F2=  4.246   null   null  d=  3.6
assi (( resid  19 and name HN))
     (( resid  19 and name HA))
             3.6 0.90 0.90
! peak number h 47  F1=  7.609  F2=  1.821   null   null  d=  2.9
assi (( resid  19 and name HN))
     (( resid  19 and name HB2))
             2.9 0.72 0.72
! peak number h 1079  F1=  1.692  F2=  7.606   null   null  d=  4.3
assi (( resid  19 and name HN))
     (( resid  19 and name HB3))
             4.3 1.09 1.09
! peak number d 410  F1=  4.324  F2=  1.808   null   null  d=  2.8
assi (( resid  2 and name HA))
     (( resid  2 and name HB2))
             2.8 0.70 0.70
! peak number d 396  F1=  4.324  F2=  2.178   null   null  d=  3.4
assi (( resid  2 and name HA))
     (( resid  2 and name HG*))
             3.4 1.00 1.00
! peak number d 437  F1=  4.323  F2=  3.506   null   null  d=  2.4
assi (( resid  2 and name HA))
     (( resid  3 and name HD2))
             2.4 0.60 0.60
! peak number d 436  F1=  4.323  F2=  3.363   null   null  d=  2.7
assi (( resid  2 and name HA))
     (( resid  3 and name HD3))
             2.7 0.94 0.94
! peak number d 1075  F1=  4.323  F2=  2.036   null   null  d=  3.7
assi (( resid  2 and name HA))
     (( resid  3 and name HG3))
             3.7 0.93 0.93
! peak number h 230  F1=  7.690  F2=  6.897   null   null  d=  1.9
assi (( resid  2 and name HE21))
     (( resid  2 and name HE22))
             1.9 0.46 0.46
! peak number h 137  F1=  7.296  F2=  4.166   null   null  d=  2.9
assi (( resid  2 and name HN))
     (( resid  1 and name HA))
             2.9 0.71 0.71
! peak number h 504  F1=  7.297  F2=  4.333   null   null  d=  3.9
assi (( resid  2 and name HN))
     (( resid  2 and name HA))
             3.9 0.97 0.97
! peak number h 926  F1=  1.809  F2=  7.315   null   null  d=  3.6
assi (( resid  2 and name HN))
     (( resid  2 and name HB2))
             3.6 0.90 0.90
! peak number d 18  F1=  4.881  F2=  3.161   null   null  d=  2.4
assi (( resid  20 and name HA))
     (( resid  20 and name HB2))
             2.4 0.59 0.59
! peak number d 338  F1=  2.897  F2=  4.898   null   null  d=  3.0
assi (( resid  20 and name HA))
     (( resid  20 and name HB3))
             3.0 0.76 0.76
! peak number d 113  F1=  7.085  F2=  4.886   null   null  d=  3.0
assi (( resid  20 and name HD*))
     (( resid  20 and name HA))
             3.0 0.75 0.75
! peak number d 147  F1=  7.086  F2=  3.168   null   null  d=  3.6
assi (( resid  20 and name HD*))
     (( resid  20 and name HB2))
             3.6 0.89 0.89
! peak number d 763  F1=  7.088  F2=  4.535   null   null  d=  3.6
assi (( resid  20 and name HD*))
     (( resid  39 and name HA1))
             3.6 0.90 0.90
! peak number d 151  F1=  7.086  F2=  3.044   null   null  d=  3.6
assi (( resid  20 and name HD*))
     (( resid  39 and name HA2))
             3.6 1.20 1.20
! peak number h 579  F1=  1.377  F2=  7.305   null   null  d=  3.3
assi (( resid  20 and name HE*))
     (( resid  18 and name HB*))
             3.3 0.82 0.82
! peak number d 71  F1=  7.293  F2=  1.620   null   null  d=  3.0
assi (( resid  20 and name HE*))
     (( resid  18 and name HD*) or ( resid 17 and name HB*))
             3.0 0.75 0.75
! peak number d 304  F1=  1.283  F2=  7.321   null   null  d=  2.7
assi (( resid  20 and name HE*))
     (( resid  18 and name HG2))
             2.7 0.69 0.69
! peak number h 894  F1=  1.423  F2=  7.302   null   null  d=  3.3
assi (( resid  20 and name HE*))
     (( resid  18 and name HG3))
             3.3 0.82 0.82
! peak number d 108  F1=  7.298  F2=  1.404   null   null  d=  2.9
assi (( resid  20 and name HE*))
     (( resid  18 and name HG3) or ( resid 18 and name HB*))
             2.9 0.73 0.73
! peak number h 246  F1=  7.097  F2=  7.296   null   null  d=  1.9
assi (( resid  20 and name HE*))
     (( resid  20 and name HD*))
             1.9 0.47 0.47
! peak number d 119  F1=  7.296  F2=  4.529   null   null  d=  3.2
assi (( resid  20 and name HE*))
     (( resid  39 and name HA1))
             3.2 0.79 0.79
! peak number d 1032  F1=  7.297  F2=  3.060   null   null  d=  3.4
assi (( resid  20 and name HE*))
     (( resid  39 and name HA2))
             3.4 0.84 0.84
! peak number h 140  F1=  7.304  F2=  1.586   null   null  d=  2.9
assi (( resid  20 and name HE*) or ( resid 2 and name HN))
     (( resid  2 and name HB3) or ( resid 17 and name HB*))
             2.9 0.71 0.71
! peak number h 29  F1=  8.937  F2=  4.245   null   null  d=  2.8
assi (( resid  20 and name HN))
     (( resid  19 and name HA))
             2.8 0.80 0.80
! peak number h 426  F1=  8.933  F2=  4.878   null   null  d=  3.1
assi (( resid  20 and name HN))
     (( resid  20 and name HA))
             3.1 0.78 0.78
! peak number h 706  F1=  3.172  F2=  8.931   null   null  d=  3.7
assi (( resid  20 and name HN))
     (( resid  20 and name HB2))
             3.7 0.93 0.93
! peak number h 19  F1=  8.937  F2=  2.890   null   null  d=  2.8
assi (( resid  20 and name HN))
     (( resid  20 and name HB3))
             2.8 0.70 0.70
! peak number h 622  F1=  7.095  F2=  8.931   null   null  d=  3.8
assi (( resid  20 and name HN))
     (( resid  20 and name HD*))
             3.8 0.96 0.96
! peak number h 511  F1=  8.157  F2=  8.934   null   null  d=  3.2
assi (( resid  20 and name HN))
     (( resid  37 and name HN))
             3.2 0.81 0.81
! peak number d 847  F1=  4.269  F2=  3.988   null   null  d=  2.7
assi (( resid  21 and name HA))
     (( resid  21 and name HB3))
             2.7 0.66 0.66
! peak number d 378  F1=  4.270  F2=  0.680   null   null  d=  2.6
assi (( resid  21 and name HA))
     (( resid  36 and name HD2*))
             2.6 0.65 0.65
! peak number d 1002  F1=  3.860  F2=  0.680   null   null  d=  3.9
assi (( resid  21 and name HB2))
     (( resid  36 and name HD2*))
             3.9 0.97 0.97
! peak number h 415  F1=  9.173  F2=  4.881   null   null  d=  2.3
assi (( resid  21 and name HN))
     (( resid  20 and name HA))
             2.3 0.57 0.57
! peak number h 793  F1=  9.171  F2=  3.164   null   null  d=  3.7
assi (( resid  21 and name HN))
     (( resid  20 and name HB2))
             3.7 0.93 0.93
! peak number h 27  F1=  9.173  F2=  4.277   null   null  d=  3.0
assi (( resid  21 and name HN))
     (( resid  21 and name HA))
             3.0 0.75 0.75
! peak number h 33  F1=  9.172  F2=  3.868   null   null  d=  3.0
assi (( resid  21 and name HN))
     (( resid  21 and name HB2))
             3.0 0.75 0.75
! peak number h 31  F1=  9.173  F2=  3.988   null   null  d=  3.4
assi (( resid  21 and name HN))
     (( resid  21 and name HB3))
             3.4 0.84 0.84
! peak number h 1046  F1=  9.169  F2=  0.673   null   null  d=  3.9
assi (( resid  21 and name HN))
     (( resid  36 and name HD2*))
             3.9 0.97 0.97
! peak number d 325  F1=  3.547  F2=  5.041   null   null  d=  2.7
assi (( resid  22 and name HA))
     (( resid  22 and name HB2))
             2.7 0.69 0.69
! peak number d 28  F1=  5.023  F2=  2.729   null   null  d=  3.1
assi (( resid  22 and name HA))
     (( resid  22 and name HB3))
             3.1 0.79 0.79
! peak number d 989  F1=  1.154  F2=  3.556   null   null  d=  3.8
assi (( resid  22 and name HB2))
     (( resid  46 and name HG*))
             3.8 0.95 0.95
! peak number h 1020  F1=  3.728  F2=  2.742   null   null  d=  3.0
assi (( resid  22 and name HG))
     (( resid  22 and name HB3))
             3.0 0.74 0.74
! peak number h 315  F1=  4.278  F2=  8.486   null   null  d=  2.5
assi (( resid  22 and name HN))
     (( resid  21 and name HA))
             2.5 0.90 0.90
! peak number h 76  F1=  8.486  F2=  2.748   null   null  d=  3.0
assi (( resid  22 and name HN))
     (( resid  22 and name HB3))
             3.0 0.75 0.75
! peak number h 642  F1=  8.477  F2=  0.676   null   null  d=  3.0
assi (( resid  22 and name HN))
     (( resid  36 and name HD2*))
             3.0 0.75 0.75
! peak number d 19  F1=  5.857  F2=  2.931   null   null  d=  2.7
assi (( resid  23 and name HA))
     (( resid  23 and name HB2))
             2.7 0.69 0.69
! peak number d 29  F1=  5.859  F2=  2.712   null   null  d=  3.4
assi (( resid  23 and name HA))
     (( resid  23 and name HB3))
             3.4 0.86 0.86
! peak number d 174  F1=  5.860  F2=  4.916   null   null  d=  2.4
assi (( resid  23 and name HA))
     (( resid  34 and name HA))
             2.4 0.60 0.60
! peak number d 602  F1=  2.925  F2=  2.710   null   null  d=  1.9
assi (( resid  23 and name HB2))
     (( resid  23 and name HB3))
             1.9 0.46 0.46
! peak number d 555  F1=  2.922  F2=  2.571   null   null  d=  2.4
assi (( resid  23 and name HB2))
     (( resid  47 and name HB3))
             2.4 0.60 0.60
! peak number d 212  F1=  5.026  F2=  6.791   null   null  d=  3.1
assi (( resid  23 and name HD*))
     (( resid  22 and name HA))
             3.1 0.79 0.79
! peak number d 180  F1=  6.790  F2=  5.870   null   null  d=  3.1
assi (( resid  23 and name HD*))
     (( resid  23 and name HA))
             3.1 0.78 0.78
! peak number d 153  F1=  6.782  F2=  2.931   null   null  d=  2.5
assi (( resid  23 and name HD*))
     (( resid  23 and name HB2))
             2.5 0.63 0.63
! peak number d 159  F1=  6.782  F2=  2.717   null   null  d=  2.6
assi (( resid  23 and name HD*))
     (( resid  23 and name HB3))
             2.6 0.64 0.64
! peak number d 1039  F1=  6.782  F2=  3.393   null   null  d=  4.5
assi (( resid  23 and name HD*))
     (( resid  32 and name HB2))
             4.5 1.11 1.11
! peak number d 1100  F1=  5.092  F2=  6.792   null   null  d=  4.0
assi (( resid  23 and name HD*))
     (( resid  33 and name HA))
             4.0 1.00 1.00
! peak number d 111  F1=  6.780  F2=  4.917   null   null  d=  3.0
assi (( resid  23 and name HD*))
     (( resid  34 and name HA))
             3.0 0.76 0.76
! peak number d 1038  F1=  6.783  F2=  3.962   null   null  d=  4.1
assi (( resid  23 and name HD*))
     (( resid  34 and name HD2))
             4.1 1.02 1.02
! peak number d 160  F1=  6.782  F2=  2.589   null   null  d=  3.2
assi (( resid  23 and name HD*))
     (( resid  47 and name HB3) or ( resid 32 and name HB3))
             3.2 0.80 0.80
! peak number d 1102  F1=  4.566  F2=  6.792   null   null  d=  4.2
assi (( resid  23 and name HD*))
     (( resid  48 and name HA))
             4.2 1.04 1.04
! peak number d 116  F1=  6.780  F2=  4.830   null   null  d=  3.0
assi (( resid  23 and name HD*))
     (( resid  49 and name HA))
             3.0 0.74 0.74
! peak number d 1316  F1=  1.272  F2=  6.796   null   null  d=  4.8
assi (( resid  23 and name HD*))
     (( resid  49 and name HG2*) or ( resid 33 and name HG))
             4.8 1.19 1.19
! peak number d 148  F1=  6.782  F2=  3.081   null   null  d=  3.4
assi (( resid  23 and name HD*))
     (( resid  50 and name HA))
             3.4 0.86 0.86
! peak number d 104  F1=  6.783  F2=  0.668   null   null  d=  3.6
assi (( resid  23 and name HD*))
     (( resid  50 and name HB))
             3.6 0.90 0.90
! peak number d 312  F1=  0.748  F2=  6.793   null   null  d=  3.0
assi (( resid  23 and name HD*))
     (( resid  50 and name HD1*))
             3.0 0.75 0.75
! peak number d 1053  F1=  6.783  F2=  2.184   null   null  d=  4.4
assi (( resid  23 and name HD*))
     (( resid  53 and name HA) or ( resid 34 and name HG*))
             4.4 1.09 1.09
! peak number d 1322  F1=  2.167  F2=  6.790   null   null  d=  4.3
assi (( resid  23 and name HD*))
     (( resid  53 and name HA) or ( resid 52 and name HB*) or ( resid 34 and name HG*))
             4.3 1.07 1.07
! peak number d 1251  F1=  6.783  F2=  3.189   null   null  d=  4.6
assi (( resid  23 and name HD*))
     (( resid  53 and name HB2))
             4.6 1.15 1.15
! peak number h 941  F1=  3.005  F2=  6.780   null   null  d=  4.9
assi (( resid  23 and name HD*))
     (( resid  53 and name HB3))
             4.9 1.23 1.23
! peak number d 1033  F1=  7.403  F2=  2.935   null   null  d=  4.8
assi (( resid  23 and name HE*))
     (( resid  23 and name HB2))
             4.8 1.20 1.20
! peak number d 1040  F1=  7.404  F2=  2.718   null   null  d=  5.1
assi (( resid  23 and name HE*))
     (( resid  23 and name HB3))
             5.1 1.26 1.26
! peak number d 185  F1=  6.790  F2=  7.426   null   null  d=  2.1
assi (( resid  23 and name HE*))
     (( resid  23 and name HD*))
             2.1 0.53 0.53
! peak number d 918  F1=  4.907  F2=  7.414   null   null  d=  3.9
assi (( resid  23 and name HE*))
     (( resid  34 and name HA))
             3.9 0.97 0.97
! peak number d 293  F1=  1.981  F2=  7.420   null   null  d=  3.0
assi (( resid  23 and name HE*))
     (( resid  34 and name HB2))
             3.0 0.75 0.75
! peak number d 967  F1=  1.879  F2=  7.416   null   null  d=  3.8
assi (( resid  23 and name HE*))
     (( resid  34 and name HB3))
             3.8 0.95 0.95
! peak number d 1108  F1=  3.947  F2=  7.420   null   null  d=  3.5
assi (( resid  23 and name HE*))
     (( resid  34 and name HD2))
             3.5 0.86 0.86
! peak number d 941  F1=  7.402  F2=  3.965   null   null  d=  4.1
assi (( resid  23 and name HE*))
     (( resid  34 and name HD2) or ( resid 21 and name HB3))
             4.1 1.02 1.02
! peak number h 807  F1=  7.410  F2=  3.867   null   null  d=  4.8
assi (( resid  23 and name HE*))
     (( resid  34 and name HD3) or ( resid 21 and name HB2))
             4.8 1.20 1.20
! peak number d 795  F1=  2.169  F2=  7.420   null   null  d=  3.2
assi (( resid  23 and name HE*))
     (( resid  34 and name HG*))
             3.2 0.81 0.81
! peak number d 115  F1=  7.405  F2=  4.828   null   null  d=  2.8
assi (( resid  23 and name HE*))
     (( resid  49 and name HA))
             2.8 0.71 0.71
! peak number d 1396  F1=  4.441  F2=  7.409   null   null  d=  4.8
assi (( resid  23 and name HE*))
     (( resid  49 and name HB))
             4.8 1.20 1.20
! peak number d 1146  F1=  3.069  F2=  7.418   null   null  d=  4.3
assi (( resid  23 and name HE*))
     (( resid  50 and name HA))
             4.3 1.06 1.06
! peak number d 301  F1=  0.654  F2=  7.416   null   null  d=  3.0
assi (( resid  23 and name HE*))
     (( resid  50 and name HB))
             3.0 0.74 0.74
! peak number d 300  F1=  0.766  F2=  7.415   null   null  d=  2.9
assi (( resid  23 and name HE*))
     (( resid  50 and name HD1*))
             2.9 0.72 0.72
! peak number d 736  F1=  7.411  F2=  0.877   null   null  d=  3.6
assi (( resid  23 and name HE*))
     (( resid  50 and name HG1*))
             3.6 0.91 0.91
! peak number d 62  F1=  7.405  F2=  2.178   null   null  d=  3.3
assi (( resid  23 and name HE*) or ( resid 1 and name HZ2))
     (( resid  34 and name HG*) or ( resid 3 and name HG2))
             3.3 0.82 0.82
! peak number d 955  F1=  7.403  F2=  1.886   null   null  d=  4.2
assi (( resid  23 and name HE*) or ( resid 1 and name HZ2))
     (( resid  4 and name HG2) or ( resid 34 and name HB3))
             4.2 1.05 1.05
! peak number d 1045  F1=  7.402  F2=  1.285   null   null  d=  4.1
assi (( resid  23 and name HE*) or ( resid 1 and name HZ2))
     (( resid  49 and name HG2*) or ( resid 30 and name HG2))
             4.1 1.02 1.02
! peak number h 927  F1=  1.880  F2=  7.403   null   null  d=  4.1
assi (( resid  23 and name HE*) or ( resid 1 and name HZ2))
     (( resid  57 and name HB2) or ( resid 4 and name HG2) or ( resid 34 and name HB3))
             4.1 1.02 1.02
! peak number h 599  F1=  7.404  F2=  0.865   null   null  d=  3.6
assi (( resid  23 and name HE*) or ( resid 1 and name HZ2))
     (( resid  6 and name HB3) or ( resid 50 and name HG1*))
             3.6 0.90 0.90
! peak number h 414  F1=  9.138  F2=  5.013   null   null  d=  2.5
assi (( resid  23 and name HN))
     (( resid  22 and name HA))
             2.5 0.62 0.62
! peak number h 16  F1=  9.140  F2=  3.549   null   null  d=  2.6
assi (( resid  23 and name HN))
     (( resid  22 and name HB2))
             2.6 0.65 0.65
! peak number h 21  F1=  9.140  F2=  2.712   null   null  d=  2.7
assi (( resid  23 and name HN))
     (( resid  22 and name HB3))
             2.7 0.68 0.68
! peak number h 756  F1=  2.930  F2=  9.148   null   null  d=  3.9
assi (( resid  23 and name HN))
     (( resid  23 and name HB2))
             3.9 0.96 0.96
! peak number h 300  F1=  6.788  F2=  9.136   null   null  d=  3.1
assi (( resid  23 and name HN))
     (( resid  23 and name HD*))
             3.1 0.78 0.78
! peak number d 1087  F1=  5.316  F2=  -0.716   null   null  d=  4.6
assi (( resid  24 and name HA))
     (( resid  11 and name HG2*))
             4.6 1.15 1.15
! peak number d 22  F1=  5.318  F2=  2.851   null   null  d=  2.4
assi (( resid  24 and name HA))
     (( resid  24 and name HB*))
             2.4 0.61 0.61
! peak number d 1382  F1=  5.319  F2=  3.194   null   null  d=  4.5
assi (( resid  24 and name HA))
     (( resid  53 and name HB2) or ( resid 25 and name HB3))
             4.5 1.14 1.14
! peak number d 1004  F1=  2.842  F2=  0.445   null   null  d=  3.6
assi (( resid  24 and name HB*))
     (( resid  11 and name HB))
             3.6 0.91 0.91
! peak number d 535  F1=  2.841  F2=  -0.719   null   null  d=  3.0
assi (( resid  24 and name HB*))
     (( resid  11 and name HG2*))
             3.0 0.75 0.75
! peak number d 311  F1=  0.431  F2=  6.947   null   null  d=  3.0
assi (( resid  24 and name HD*))
     (( resid  11 and name HB))
             3.0 0.76 0.76
! peak number d 1028  F1=  6.938  F2=  5.871   null   null  d=  4.0
assi (( resid  24 and name HD*))
     (( resid  23 and name HA))
             4.0 1.00 1.00
! peak number d 211  F1=  5.320  F2=  6.948   null   null  d=  3.8
assi (( resid  24 and name HD*))
     (( resid  24 and name HA))
             3.8 0.95 0.95
! peak number d 157  F1=  6.938  F2=  2.842   null   null  d=  2.2
assi (( resid  24 and name HD*))
     (( resid  24 and name HB*))
             2.2 0.55 0.55
! peak number d 184  F1=  6.564  F2=  6.949   null   null  d=  2.2
assi (( resid  24 and name HD*))
     (( resid  24 and name HE*))
             2.2 0.54 0.54
! peak number d 1312  F1=  6.935  F2=  0.833   null   null  d=  5.2
assi (( resid  24 and name HD*))
     (( resid  33 and name HD2*))
             5.2 1.30 1.30
! peak number d 139  F1=  6.934  F2=  3.357   null   null  d=  2.7
assi (( resid  24 and name HD*))
     (( resid  35 and name HB2))
             2.7 0.68 0.68
! peak number d 285  F1=  2.952  F2=  6.952   null   null  d=  3.3
assi (( resid  24 and name HD*))
     (( resid  35 and name HB3))
             3.3 0.82 0.82
! peak number d 782  F1=  4.926  F2=  6.929   null   null  d=  3.8
assi (( resid  24 and name HD*) or ( resid 1 and name HH2))
     (( resid  57 and name HA) or ( resid 34 and name HA))
             3.8 0.95 0.95
! peak number d 745  F1=  6.946  F2=  1.186   null   null  d=  3.4
assi (( resid  24 and name HD*) or ( resid 1 and name HH2))
     (( resid  57 and name HB3) or ( resid 33 and name HB3) or ( resid 30 and name HG3))
             3.4 0.84 0.84
! peak number d 117  F1=  6.929  F2=  4.549   null   null  d=  2.9
assi (( resid  24 and name HD*) or ( resid 1 and name HH2))
     (( resid  58 and name HA) or ( resid 26 and name HA))
             2.9 0.72 0.72
! peak number d 1260  F1=  3.679  F2=  6.921   null   null  d=  4.3
assi (( resid  24 and name HD*) or ( resid 1 and name HZ3) or ( resid 1 and name HH2))
     (( resid  4 and name HD3) or ( resid 10 and name HD3))
             4.3 1.07 1.07
! peak number d 807  F1=  0.433  F2=  6.574   null   null  d=  3.3
assi (( resid  24 and name HE*))
     (( resid  11 and name HB))
             3.3 0.82 0.82
! peak number d 316  F1=  0.313  F2=  6.571   null   null  d=  3.4
assi (( resid  24 and name HE*))
     (( resid  11 and name HG1*))
             3.4 0.84 0.84
! peak number d 103  F1=  6.564  F2=  -0.719   null   null  d=  3.8
assi (( resid  24 and name HE*))
     (( resid  11 and name HG2*))
             3.8 0.94 0.94
! peak number d 760  F1=  6.569  F2=  2.854   null   null  d=  3.7
assi (( resid  24 and name HE*))
     (( resid  24 and name HB*))
             3.7 0.93 0.93
! peak number d 118  F1=  6.564  F2=  4.557   null   null  d=  2.6
assi (( resid  24 and name HE*))
     (( resid  26 and name HA))
             2.6 0.66 0.66
! peak number d 69  F1=  6.565  F2=  1.824   null   null  d=  3.4
assi (( resid  24 and name HE*))
     (( resid  26 and name HB*))
             3.4 0.85 0.85
! peak number d 75  F1=  6.565  F2=  1.551   null   null  d=  3.1
assi (( resid  24 and name HE*))
     (( resid  26 and name HD*))
             3.1 0.77 0.77
! peak number d 1054  F1=  6.565  F2=  1.116   null   null  d=  3.9
assi (( resid  24 and name HE*))
     (( resid  26 and name HG2))
             3.9 0.98 0.98
! peak number d 313  F1=  1.379  F2=  6.571   null   null  d=  2.8
assi (( resid  24 and name HE*))
     (( resid  26 and name HG3))
             2.8 0.70 0.70
! peak number d 1233  F1=  6.564  F2=  3.899   null   null  d=  4.7
assi (( resid  24 and name HE*))
     (( resid  27 and name HB3) or ( resid 11 and name HA))
             4.7 1.18 1.18
! peak number d 105  F1=  6.566  F2=  1.639   null   null  d=  3.5
assi (( resid  24 and name HE*))
     (( resid  33 and name HB2))
             3.5 0.88 0.88
! peak number d 314  F1=  1.203  F2=  6.571   null   null  d=  2.8
assi (( resid  24 and name HE*))
     (( resid  33 and name HB3))
             2.8 0.70 0.70
! peak number d 315  F1=  0.824  F2=  6.575   null   null  d=  3.5
assi (( resid  24 and name HE*))
     (( resid  33 and name HD2*))
             3.5 0.86 0.86
! peak number d 140  F1=  6.564  F2=  3.351   null   null  d=  3.0
assi (( resid  24 and name HE*))
     (( resid  35 and name HB2))
             3.0 0.74 0.74
! peak number d 775  F1=  6.565  F2=  2.968   null   null  d=  3.6
assi (( resid  24 and name HE*))
     (( resid  35 and name HB3) or ( resid 26 and name HE2))
             3.6 0.90 0.90
! peak number h 306  F1=  5.864  F2=  10.049   null   null  d=  2.5
assi (( resid  24 and name HN))
     (( resid  23 and name HA))
             2.5 0.62 0.62
! peak number h 15  F1=  10.049  F2=  2.920   null   null  d=  3.0
assi (( resid  24 and name HN))
     (( resid  23 and name HB2))
             3.0 0.76 0.76
! peak number h 411  F1=  10.047  F2=  5.323   null   null  d=  3.3
assi (( resid  24 and name HN))
     (( resid  24 and name HA))
             3.3 0.82 0.82
! peak number h 603  F1=  10.044  F2=  2.833   null   null  d=  3.5
assi (( resid  24 and name HN))
     (( resid  24 and name HB*))
             3.5 0.86 0.86
! peak number h 287  F1=  6.934  F2=  10.042   null   null  d=  2.7
assi (( resid  24 and name HN))
     (( resid  24 and name HD*))
             2.7 0.68 0.68
! peak number h 107  F1=  10.045  F2=  9.306   null   null  d=  3.0
assi (( resid  24 and name HN))
     (( resid  33 and name HN))
             3.0 0.74 0.74
! peak number h 410  F1=  10.047  F2=  7.030   null   null  d=  3.3
assi (( resid  24 and name HN))
     (( resid  35 and name HD*))
             3.3 0.84 0.84
! peak number d 327  F1=  3.827  F2=  4.850   null   null  d=  2.6
assi (( resid  25 and name HA))
     (( resid  25 and name HB2))
             2.6 0.65 0.65
! peak number d 17  F1=  4.834  F2=  3.204   null   null  d=  2.8
assi (( resid  25 and name HA))
     (( resid  25 and name HB3))
             2.8 0.70 0.70
! peak number h 736  F1=  3.180  F2=  4.859   null   null  d=  2.2
assi (( resid  25 and name HA) or ( resid 20 and name HA))
     (( resid  25 and name HB3) or ( resid 20 and name HB2))
             2.2 0.55 0.55
! peak number d 501  F1=  3.200  F2=  3.837   null   null  d=  1.9
assi (( resid  25 and name HB2))
     (( resid  25 and name HB3))
             1.9 0.46 0.46
! peak number d 639  F1=  1.875  F2=  3.818   null   null  d=  2.8
assi (( resid  25 and name HB2) or ( resid 10 and name HD2))
     (( resid  57 and name HB2) or ( resid 10 and name HG3))
             2.8 0.70 0.70
! peak number d 619  F1=  1.860  F2=  3.197   null   null  d=  2.6
assi (( resid  25 and name HB3))
     (( resid  57 and name HB2))
             2.6 0.65 0.65
! peak number d 114  F1=  7.786  F2=  4.858   null   null  d=  2.5
assi (( resid  25 and name HD*))
     (( resid  25 and name HA))
             2.5 0.62 0.62
! peak number d 129  F1=  7.782  F2=  3.843   null   null  d=  2.8
assi (( resid  25 and name HD*))
     (( resid  25 and name HB2))
             2.8 0.75 0.75
! peak number d 132  F1=  7.788  F2=  3.205   null   null  d=  2.8
assi (( resid  25 and name HD*))
     (( resid  25 and name HB3))
             2.8 0.69 0.69
! peak number h 789  F1=  7.019  F2=  7.782   null   null  d=  2.8
assi (( resid  25 and name HD*))
     (( resid  25 and name HE1))
             2.8 0.70 0.70
! peak number d 192  F1=  7.783  F2=  7.093   null   null  d=  2.3
assi (( resid  25 and name HD*))
     (( resid  25 and name HE2))
             2.3 0.57 0.57
! peak number d 791  F1=  4.044  F2=  7.795   null   null  d=  3.5
assi (( resid  25 and name HD*))
     (( resid  27 and name HA))
             3.5 0.88 0.88
! peak number d 1236  F1=  7.785  F2=  3.421   null   null  d=  3.8
assi (( resid  25 and name HD*))
     (( resid  27 and name HB2))
             3.8 0.94 0.94
! peak number d 1020  F1=  7.786  F2=  5.400   null   null  d=  3.5
assi (( resid  25 and name HD*))
     (( resid  32 and name HA))
             3.5 0.88 0.88
! peak number d 1158  F1=  1.861  F2=  7.796   null   null  d=  3.5
assi (( resid  25 and name HD*))
     (( resid  57 and name HB2))
             3.5 0.89 0.89
! peak number d 1042  F1=  7.787  F2=  1.194   null   null  d=  3.7
assi (( resid  25 and name HD*))
     (( resid  57 and name HB3))
             3.7 0.93 0.93
! peak number d 1287  F1=  7.778  F2=  0.994   null   null  d=  4.3
assi (( resid  25 and name HD*))
     (( resid  58 and name HD2*) or ( resid 58 and name HD1*))
             4.3 1.07 1.07
! peak number d 1283  F1=  7.780  F2=  1.436   null   null  d=  4.8
assi (( resid  25 and name HD*))
     (( resid  58 and name HG))
             4.8 1.21 1.21
! peak number d 1288  F1=  7.778  F2=  1.069   null   null  d=  4.8
assi (( resid  25 and name HD*))
     (( resid  60 and name HG*))
             4.8 1.20 1.20
! peak number d 130  F1=  7.789  F2=  3.310   null   null  d=  2.8
assi (( resid  25 and name HD*))
     (( resid  7 and name HB2))
             2.8 0.71 0.71
! peak number d 1029  F1=  7.790  F2=  2.907   null   null  d=  3.6
assi (( resid  25 and name HD*))
     (( resid  7 and name HB3))
             3.6 0.91 0.91
! peak number h 130  F1=  7.774  F2=  3.816   null   null  d=  3.0
assi (( resid  25 and name HD*) or ( resid 18 and name HN))
     (( resid  38 and name HB2) or ( resid 25 and name HB2))
             3.0 0.74 0.74
! peak number d 1252  F1=  3.061  F2=  7.006   null   null  d=  4.1
assi (( resid  25 and name HE1))
     (( resid  54 and name HD2))
             4.1 1.02 1.02
! peak number d 744  F1=  7.019  F2=  1.197   null   null  d=  3.1
assi (( resid  25 and name HE1))
     (( resid  57 and name HB3) or ( resid 30 and name HG3))
             3.1 0.78 0.78
! peak number d 89  F1=  7.020  F2=  0.993   null   null  d=  3.5
assi (( resid  25 and name HE1))
     (( resid  58 and name HD2*) or ( resid 58 and name HD1*))
             3.5 0.87 0.87
! peak number d 77  F1=  7.021  F2=  1.441   null   null  d=  3.1
assi (( resid  25 and name HE1))
     (( resid  58 and name HG))
             3.1 0.77 0.77
! peak number d 127  F1=  7.087  F2=  4.055   null   null  d=  3.3
assi (( resid  25 and name HE2))
     (( resid  27 and name HA))
             3.3 0.83 0.83
! peak number d 142  F1=  7.080  F2=  3.241   null   null  d=  3.2
assi (( resid  25 and name HE2))
     (( resid  30 and name HA))
             3.2 0.80 0.80
! peak number d 959  F1=  7.083  F2=  1.565   null   null  d=  3.4
assi (( resid  25 and name HE2))
     (( resid  30 and name HD2))
             3.4 0.85 0.85
! peak number d 960  F1=  7.086  F2=  1.307   null   null  d=  3.9
assi (( resid  25 and name HE2))
     (( resid  30 and name HG2))
             3.9 0.97 0.97
! peak number d 1266  F1=  7.088  F2=  4.674   null   null  d=  3.7
assi (( resid  25 and name HE2))
     (( resid  45 and name HA) or ( resid 31 and name HA))
             3.7 0.93 0.93
! peak number d 1052  F1=  7.084  F2=  1.210   null   null  d=  3.5
assi (( resid  25 and name HE2))
     (( resid  57 and name HB3))
             3.5 0.88 0.88
! peak number d 88  F1=  7.079  F2=  0.992   null   null  d=  2.9
assi (( resid  25 and name HE2))
     (( resid  58 and name HD2*) or ( resid 58 and name HD1*))
             2.9 0.72 0.72
! peak number d 919  F1=  4.664  F2=  7.088   null   null  d=  3.9
assi (( resid  25 and name HE2) or ( resid 20 and name HD*))
     (( resid  45 and name HA) or ( resid 31 and name HA) or ( resid 17 and name HA))
             3.9 0.97 0.97
! peak number d 306  F1=  1.431  F2=  7.067   null   null  d=  2.7
assi (( resid  25 and name HE2) or ( resid 20 and name HD*))
     (( resid  58 and name HG) or ( resid 18 and name HG3))
             2.7 0.69 0.69
! peak number d 920  F1=  4.523  F2=  7.098   null   null  d=  3.6
assi (( resid  25 and name HE2) or ( resid 20 and name HD*))
     (( resid  7 and name HA) or ( resid 39 and name HA1))
             3.6 0.90 0.90
! peak number d 154  F1=  7.088  F2=  2.906   null   null  d=  3.0
assi (( resid  25 and name HE2) or ( resid 20 and name HD*))
     (( resid  7 and name HB3) or ( resid 20 and name HB3))
             3.0 0.74 0.74
! peak number h 10  F1=  10.564  F2=  5.317   null   null  d=  2.9
assi (( resid  25 and name HN))
     (( resid  24 and name HA))
             2.9 0.73 0.73
! peak number h 14  F1=  10.564  F2=  2.836   null   null  d=  2.7
assi (( resid  25 and name HN))
     (( resid  24 and name HB*))
             2.7 0.69 0.69
! peak number h 750  F1=  10.564  F2=  6.936   null   null  d=  3.8
assi (( resid  25 and name HN))
     (( resid  24 and name HD*))
             3.8 0.94 0.94
! peak number h 11  F1=  10.564  F2=  4.853   null   null  d=  3.5
assi (( resid  25 and name HN))
     (( resid  25 and name HA))
             3.5 0.88 0.88
! peak number h 12  F1=  10.565  F2=  3.822   null   null  d=  2.9
assi (( resid  25 and name HN))
     (( resid  25 and name HB2))
             2.9 0.73 0.73
! peak number h 13  F1=  10.565  F2=  3.193   null   null  d=  2.9
assi (( resid  25 and name HN))
     (( resid  25 and name HB3))
             2.9 0.72 0.72
! peak number h 1  F1=  10.564  F2=  8.341   null   null  d=  3.0
assi (( resid  25 and name HN))
     (( resid  45 and name HD21))
             3.0 0.3 0.3
! peak number h 751  F1=  10.564  F2=  7.962   null   null  d=  4.0
assi (( resid  25 and name HN))
     (( resid  45 and name HD22))
             4.0 0.4 0.4
! peak number d 342  F1=  1.801  F2=  4.544   null   null  d=  2.4
assi (( resid  26 and name HA))
     (( resid  26 and name HB*))
             2.4 0.60 0.60
! peak number d 364  F1=  1.550  F2=  4.554   null   null  d=  2.5
assi (( resid  26 and name HA))
     (( resid  26 and name HD*))
             2.5 0.61 0.61
! peak number d 721  F1=  1.797  F2=  0.823   null   null  d=  2.2
assi (( resid  26 and name HB*))
     (( resid  33 and name HD2*))
             2.2 0.55 0.55
! peak number d 622  F1=  1.828  F2=  2.991   null   null  d=  2.4
assi (( resid  26 and name HE2))
     (( resid  26 and name HB*))
             2.4 0.60 0.60
! peak number d 985  F1=  1.103  F2=  2.983   null   null  d=  3.4
assi (( resid  26 and name HE2))
     (( resid  26 and name HG2))
             3.4 0.85 0.85
! peak number d 986  F1=  1.202  F2=  2.971   null   null  d=  3.5
assi (( resid  26 and name HE2))
     (( resid  29 and name HB*))
             3.5 0.88 0.88
! peak number d 676  F1=  1.109  F2=  2.886   null   null  d=  2.9
assi (( resid  26 and name HE3))
     (( resid  26 and name HG2))
             2.9 0.72 0.72
! peak number d 979  F1=  0.827  F2=  1.400   null   null  d=  2.7
assi (( resid  26 and name HG3))
     (( resid  33 and name HD2*))
             2.7 0.68 0.68
! peak number h 431  F1=  8.590  F2=  4.846   null   null  d=  2.3
assi (( resid  26 and name HN))
     (( resid  25 and name HA))
             2.3 0.57 0.57
! peak number h 597  F1=  8.586  F2=  4.549   null   null  d=  3.3
assi (( resid  26 and name HN))
     (( resid  26 and name HA))
             3.3 0.82 0.82
! peak number h 384  F1=  1.819  F2=  8.591   null   null  d=  2.7
assi (( resid  26 and name HN))
     (( resid  26 and name HB*))
             2.7 0.68 0.68
! peak number h 42  F1=  8.590  F2=  1.389   null   null  d=  3.0
assi (( resid  26 and name HN))
     (( resid  26 and name HG3))
             3.0 0.75 0.75
! peak number h 611  F1=  8.587  F2=  6.270   null   null  d=  3.5
assi (( resid  26 and name HN))
     (( resid  31 and name HN))
             3.5 0.88 0.88
! peak number h 629  F1=  8.586  F2=  5.386   null   null  d=  3.4
assi (( resid  26 and name HN))
     (( resid  32 and name HA))
             3.4 0.85 0.85
! peak number h 1089  F1=  8.590  F2=  3.189   null   null  d=  3.9
assi (( resid  26 and name HN) or ( resid 14 and name HN))
     (( resid  25 and name HB3) or ( resid 12 and name HD*))
             3.9 0.97 0.97
! peak number h 839  F1=  8.595  F2=  1.574   null   null  d=  3.3
assi (( resid  26 and name HN) or ( resid 14 and name HN))
     (( resid  31 and name HB*) or ( resid 26 and name HD*) or ( resid 13 and name HG1*) or ( resid 12 and name HG3))
             3.3 0.82 0.82
! peak number h 649  F1=  8.595  F2=  1.297   null   null  d=  3.5
assi (( resid  26 and name HN) or ( resid 14 and name HN))
     (( resid  33 and name HG) or ( resid 13 and name HG2*))
             3.5 0.86 0.86
! peak number d 446  F1=  4.046  F2=  3.446   null   null  d=  3.0
assi (( resid  27 and name HA))
     (( resid  27 and name HB2))
             3.0 0.94 0.94
! peak number d 1297  F1=  1.118  F2=  4.025   null   null  d=  4.9
assi (( resid  27 and name HA))
     (( resid  28 and name HG2*) or ( resid 26 and name HG2))
             4.9 1.23 1.23
! peak number d 1112  F1=  4.048  F2=  1.563   null   null  d=  3.5
assi (( resid  27 and name HA))
     (( resid  30 and name HD2))
             3.5 0.88 0.88
! peak number d 503  F1=  3.425  F2=  3.894   null   null  d=  1.9
assi (( resid  27 and name HB3))
     (( resid  27 and name HB2))
             1.9 0.47 0.47
! peak number d 1399  F1=  4.044  F2=  7.349   null   null  d=  4.8
assi (( resid  27 and name HD1))
     (( resid  27 and name HA))
             4.8 1.70 1.70
! peak number d 133  F1=  7.338  F2=  3.430   null   null  d=  3.1
assi (( resid  27 and name HD1))
     (( resid  27 and name HB2))
             3.1 0.77 0.77
! peak number d 238  F1=  3.740  F2=  7.349   null   null  d=  3.9
assi (( resid  27 and name HD1))
     (( resid  28 and name HA))
             3.9 0.97 0.97
! peak number d 303  F1=  1.136  F2=  7.345   null   null  d=  3.5
assi (( resid  27 and name HD1))
     (( resid  28 and name HG2*))
             3.5 0.86 0.86
! peak number d 124  F1=  7.338  F2=  4.183   null   null  d=  3.9
assi (( resid  27 and name HD1))
     (( resid  8 and name HA) or ( resid 28 and name HB))
             3.9 0.98 0.98
! peak number h 286  F1=  7.344  F2=  10.270   null   null  d=  2.7
assi (( resid  27 and name HE1))
     (( resid  27 and name HD1))
             2.7 0.68 0.68
! peak number h 285  F1=  7.597  F2=  10.274   null   null  d=  3.1
assi (( resid  27 and name HE1))
     (( resid  27 and name HZ2))
             3.1 0.78 0.78
! peak number d 749  F1=  7.692  F2=  3.435   null   null  d=  3.7
assi (( resid  27 and name HE3))
     (( resid  27 and name HB2))
             3.7 0.93 0.93
! peak number d 128  F1=  7.692  F2=  3.885   null   null  d=  3.1
assi (( resid  27 and name HE3))
     (( resid  27 and name HB3))
             3.1 0.85 0.85
! peak number d 131  F1=  7.693  F2=  3.302   null   null  d=  3.5
assi (( resid  27 and name HE3))
     (( resid  7 and name HB2))
             3.5 0.96 0.96
! peak number d 1030  F1=  7.693  F2=  2.907   null   null  d=  3.9
assi (( resid  27 and name HE3))
     (( resid  7 and name HB3))
             3.9 0.96 0.96
! peak number d 1106  F1=  4.183  F2=  7.702   null   null  d=  3.5
assi (( resid  27 and name HE3))
     (( resid  8 and name HA))
             3.5 0.90 0.90
! peak number d 1244  F1=  7.691  F2=  2.201   null   null  d=  4.8
assi (( resid  27 and name HE3))
     (( resid  8 and name HE*) or ( resid 3 and name HG2))
             4.8 1.19 1.19
! peak number h 132  F1=  7.692  F2=  3.885   null   null  d=  2.8
assi (( resid  27 and name HE3) or ( resid 11 and name HN))
     (( resid  27 and name HB3) or ( resid 11 and name HA))
             2.8 0.70 0.70
! peak number d 196  F1=  7.087  F2=  7.707   null   null  d=  2.5
assi (( resid  27 and name HE3) or ( resid 25 and name HZ))
     (( resid  25 and name HE2))
             2.5 0.62 0.62
! peak number d 126  F1=  7.692  F2=  4.053   null   null  d=  3.0
assi (( resid  27 and name HE3) or ( resid 25 and name HZ))
     (( resid  27 and name HA))
             3.0 0.76 0.76
! peak number d 190  F1=  6.984  F2=  7.697   null   null  d=  2.4
assi (( resid  27 and name HE3) or ( resid 25 and name HZ))
     (( resid  27 and name HZ3) or ( resid 25 and name HE1))
             2.4 0.61 0.61
! peak number d 1234  F1=  7.692  F2=  3.751   null   null  d=  4.3
assi (( resid  27 and name HE3) or ( resid 25 and name HZ))
     (( resid  28 and name HA))
             4.3 1.09 1.09
! peak number d 1043  F1=  7.691  F2=  1.158   null   null  d=  4.3
assi (( resid  27 and name HE3) or ( resid 25 and name HZ))
     (( resid  28 and name HG2*))
             4.3 1.07 1.07
! peak number d 1285  F1=  7.692  F2=  1.780   null   null  d=  4.3
assi (( resid  27 and name HE3) or ( resid 25 and name HZ))
     (( resid  30 and name HB3) or ( resid 3 and name HB3))
             4.3 1.06 1.06
! peak number h 925  F1=  2.016  F2=  7.224   null   null  d=  3.9
assi (( resid  27 and name HH2))
     (( resid  3 and name HG3))
             3.9 0.97 0.97
! peak number h 250  F1=  6.984  F2=  7.230   null   null  d=  2.2
assi (( resid  27 and name HH2) or ( resid 1 and name HD1))
     (( resid  59 and name HN) or ( resid 27 and name HZ3))
             2.2 0.55 0.55
! peak number d 64  F1=  7.229  F2=  2.031   null   null  d=  3.5
assi (( resid  27 and name HH2) or ( resid 1 and name HE3))
     (( resid  3 and name HG3))
             3.5 0.88 0.88
! peak number d 966  F1=  2.020  F2=  7.241   null   null  d=  3.9
assi (( resid  27 and name HH2) or ( resid 1 and name HE3))
     (( resid  58 and name HB*) or ( resid 3 and name HG3))
             3.9 0.96 0.96
! peak number d 1156  F1=  1.782  F2=  7.246   null   null  d=  3.6
assi (( resid  27 and name HH2) or ( resid 1 and name HE3) or ( resid 1 and name HD1))
     (( resid  3 and name HB3) or ( resid 2 and name HB2))
             3.6 0.90 0.90
! peak number h 1044  F1=  1.546  F2=  8.294   null   null  d=  5.0
assi (( resid  27 and name HN))
     (( resid  26 and name HD*))
             5.0 1.26 1.26
! peak number h 1064  F1=  8.292  F2=  1.114   null   null  d=  4.0
assi (( resid  27 and name HN))
     (( resid  26 and name HG2))
             4.0 1.00 1.00
! peak number h 1065  F1=  8.292  F2=  1.378   null   null  d=  4.3
assi (( resid  27 and name HN))
     (( resid  26 and name HG3))
             4.3 1.07 1.07
! peak number h 78  F1=  8.297  F2=  4.045   null   null  d=  2.8
assi (( resid  27 and name HN))
     (( resid  27 and name HA))
             2.8 0.70 0.70
! peak number h 323  F1=  3.428  F2=  8.302   null   null  d=  2.8
assi (( resid  27 and name HN))
     (( resid  27 and name HB2))
             2.8 0.70 0.70
! peak number h 520  F1=  3.876  F2=  8.294   null   null  d=  2.9
assi (( resid  27 and name HN))
     (( resid  27 and name HB3))
             2.9 0.71 0.71
! peak number h 786  F1=  8.290  F2=  7.329   null   null  d=  3.7
assi (( resid  27 and name HN))
     (( resid  27 and name HD1))
             3.7 0.93 0.93
! peak number d 194  F1=  7.233  F2=  7.597   null   null  d=  2.4
assi (( resid  27 and name HZ2))
     (( resid  27 and name HH2))
             2.4 0.61 0.61
! peak number d 1309  F1=  2.198  F2=  7.594   null   null  d=  4.3
assi (( resid  27 and name HZ2))
     (( resid  8 and name HE*) or ( resid 3 and name HG2))
             4.3 1.06 1.06
! peak number d 1327  F1=  2.474  F2=  7.000   null   null  d=  3.8
assi (( resid  27 and name HZ3))
     (( resid  3 and name HB2))
             3.8 0.95 0.95
! peak number d 741  F1=  6.982  F2=  2.202   null   null  d=  3.5
assi (( resid  27 and name HZ3))
     (( resid  3 and name HG2))
             3.5 1.00 1.00
! peak number d 743  F1=  6.983  F2=  2.033   null   null  d=  3.6
assi (( resid  27 and name HZ3))
     (( resid  3 and name HG3))
             3.6 0.90 0.90
! peak number d 109  F1=  6.977  F2=  1.791   null   null  d=  3.3
assi (( resid  27 and name HZ3) or ( resid 25 and name HE1))
     (( resid  30 and name HB3) or ( resid 3 and name HB3))
             3.3 0.84 0.84
! peak number d 1257  F1=  6.983  F2=  3.312   null   null  d=  3.7
assi (( resid  27 and name HZ3) or ( resid 25 and name HE1))
     (( resid  7 and name HB2))
             3.7 0.93 0.93
! peak number d 390  F1=  3.743  F2=  1.149   null   null  d=  2.9
assi (( resid  28 and name HA))
     (( resid  28 and name HG2*))
             2.9 0.71 0.71
! peak number d 487  F1=  3.741  F2=  4.185   null   null  d=  2.4
assi (( resid  28 and name HB))
     (( resid  28 and name HA))
             2.4 0.60 0.60
! peak number d 668  F1=  1.136  F2=  4.184   null   null  d=  2.9
assi (( resid  28 and name HB))
     (( resid  28 and name HG2*))
             2.9 0.90 0.90
! peak number h 704  F1=  3.420  F2=  8.100   null   null  d=  3.2
assi (( resid  28 and name HN))
     (( resid  27 and name HB2))
             3.2 0.80 0.80
! peak number h 320  F1=  3.746  F2=  8.101   null   null  d=  3.1
assi (( resid  28 and name HN))
     (( resid  28 and name HA))
             3.1 0.78 0.78
! peak number h 482  F1=  8.104  F2=  4.184   null   null  d=  3.6
assi (( resid  28 and name HN))
     (( resid  28 and name HB))
             3.6 0.90 0.90
! peak number h 388  F1=  1.143  F2=  8.102   null   null  d=  2.9
assi (( resid  28 and name HN))
     (( resid  28 and name HG2*))
             2.9 0.72 0.72
! peak number h 58  F1=  8.106  F2=  1.132   null   null  d=  2.6
assi (( resid  28 and name HN))
     (( resid  28 and name HG2*) or ( resid 26 and name HG2))
             2.6 0.65 0.65
! peak number h 218  F1=  8.106  F2=  6.649   null   null  d=  3.0
assi (( resid  28 and name HN))
     (( resid  29 and name HN))
             3.0 0.74 0.74
! peak number d 673  F1=  1.204  F2=  4.400   null   null  d=  2.3
assi (( resid  29 and name HA))
     (( resid  29 and name HB*))
             2.3 0.56 0.56
! peak number h 593  F1=  1.551  F2=  6.659   null   null  d=  3.2
assi (( resid  29 and name HN))
     (( resid  26 and name HD*))
             3.2 0.80 0.80
! peak number h 190  F1=  6.651  F2=  1.098   null   null  d=  2.6
assi (( resid  29 and name HN))
     (( resid  26 and name HG2))
             2.6 0.65 0.65
! peak number h 1085  F1=  3.744  F2=  6.648   null   null  d=  4.0
assi (( resid  29 and name HN))
     (( resid  28 and name HA))
             4.0 1.01 1.01
! peak number h 198  F1=  6.657  F2=  4.399   null   null  d=  2.8
assi (( resid  29 and name HN))
     (( resid  29 and name HA))
             2.8 0.70 0.70
! peak number h 187  F1=  6.650  F2=  1.209   null   null  d=  2.5
assi (( resid  29 and name HN))
     (( resid  29 and name HB*))
             2.5 0.64 0.64
! peak number h 1092  F1=  6.653  F2=  3.230   null   null  d=  4.1
assi (( resid  29 and name HN))
     (( resid  30 and name HA))
             4.1 1.02 1.02
! peak number d 392  F1=  4.103  F2=  2.486   null   null  d=  2.8
assi (( resid  3 and name HA))
     (( resid  3 and name HB2))
             2.8 0.70 0.70
! peak number d 1072  F1=  4.097  F2=  1.791   null   null  d=  3.0
assi (( resid  3 and name HA))
     (( resid  3 and name HB3))
             3.0 0.75 0.75
! peak number d 1012  F1=  4.097  F2=  2.199   null   null  d=  3.6
assi (( resid  3 and name HA))
     (( resid  3 and name HG2))
             3.6 0.90 0.90
! peak number d 486  F1=  3.682  F2=  4.108   null   null  d=  2.3
assi (( resid  3 and name HA))
     (( resid  4 and name HD3))
             2.3 0.57 0.57
! peak number d 1073  F1=  4.104  F2=  1.899   null   null  d=  3.8
assi (( resid  3 and name HA))
     (( resid  4 and name HG2))
             3.8 0.95 0.95
! peak number d 898  F1=  2.023  F2=  2.480   null   null  d=  3.0
assi (( resid  3 and name HB2))
     (( resid  3 and name HG3))
             3.0 0.75 0.75
! peak number d 473  F1=  3.499  F2=  1.590   null   null  d=  3.3
assi (( resid  3 and name HD2))
     (( resid  2 and name HB3))
             3.3 0.84 0.84
! peak number d 1371  F1=  3.494  F2=  2.478   null   null  d=  3.3
assi (( resid  3 and name HD2))
     (( resid  3 and name HB2))
             3.3 0.82 0.82
! peak number d 615  F1=  1.788  F2=  3.493   null   null  d=  2.8
assi (( resid  3 and name HD2))
     (( resid  3 and name HB3) or ( resid 2 and name HB2))
             2.8 0.70 0.70
! peak number d 608  F1=  2.021  F2=  3.500   null   null  d=  2.9
assi (( resid  3 and name HD2))
     (( resid  3 and name HG3))
             2.9 0.72 0.72
! peak number d 1377  F1=  1.572  F2=  3.358   null   null  d=  3.9
assi (( resid  3 and name HD3))
     (( resid  2 and name HB3))
             3.9 0.97 0.97
! peak number d 869  F1=  1.787  F2=  3.361   null   null  d=  3.0
assi (( resid  3 and name HD3))
     (( resid  3 and name HB3) or ( resid 2 and name HB2))
             3.0 0.75 0.75
! peak number d 471  F1=  3.357  F2=  2.029   null   null  d=  3.1
assi (( resid  3 and name HD3))
     (( resid  3 and name HG3))
             3.1 0.78 0.78
! peak number d 606  F1=  2.047  F2=  3.229   null   null  d=  3.3
assi (( resid  30 and name HA))
     (( resid  30 and name HB2))
             3.3 0.82 0.82
! peak number d 567  F1=  3.232  F2=  1.804   null   null  d=  2.4
assi (( resid  30 and name HA))
     (( resid  30 and name HB3))
             2.4 0.60 0.60
! peak number d 675  F1=  1.189  F2=  3.235   null   null  d=  2.8
assi (( resid  30 and name HA))
     (( resid  30 and name HG3))
             2.8 0.70 0.70
! peak number d 891  F1=  1.191  F2=  2.067   null   null  d=  2.7
assi (( resid  30 and name HB2))
     (( resid  30 and name HG3))
             2.7 0.68 0.68
! peak number d 685  F1=  1.014  F2=  2.491   null   null  d=  2.7
assi (( resid  30 and name HE3) or ( resid 3 and name HB2))
     (( resid  8 and name HD*) or ( resid 58 and name HD2*))
             2.7 0.68 0.68
! peak number h 806  F1=  7.582  F2=  4.046   null   null  d=  3.6
assi (( resid  30 and name HN))
     (( resid  27 and name HA))
             3.6 0.90 0.90
! peak number h 228  F1=  7.582  F2=  6.657   null   null  d=  2.3
assi (( resid  30 and name HN))
     (( resid  29 and name HN))
             2.3 0.59 0.59
! peak number h 116  F1=  7.580  F2=  3.238   null   null  d=  2.4
assi (( resid  30 and name HN))
     (( resid  30 and name HA))
             2.4 0.60 0.60
! peak number h 857  F1=  7.585  F2=  1.555   null   null  d=  3.8
assi (( resid  30 and name HN))
     (( resid  30 and name HD2))
             3.8 0.95 0.95
! peak number h 65  F1=  7.575  F2=  1.201   null   null  d=  3.0
assi (( resid  30 and name HN))
     (( resid  30 and name HG3) or ( resid 29 and name HB*))
             3.0 0.76 0.76
! peak number h 226  F1=  7.581  F2=  6.277   null   null  d=  3.0
assi (( resid  30 and name HN))
     (( resid  31 and name HN))
             3.0 0.75 0.75
! peak number h 1069  F1=  2.066  F2=  7.596   null   null  d=  4.1
assi (( resid  30 and name HN) or ( resid 19 and name HN))
     (( resid  30 and name HB2) or ( resid 19 and name HG3))
             4.1 1.02 1.02
! peak number h 386  F1=  1.285  F2=  7.605   null   null  d=  2.5
assi (( resid  30 and name HN) or ( resid 19 and name HN))
     (( resid  30 and name HG2) or ( resid 18 and name HG2))
             2.5 0.62 0.62
! peak number d 363  F1=  1.296  F2=  4.671   null   null  d=  2.6
assi (( resid  31 and name HA))
     (( resid  31 and name HG*))
             2.6 0.65 0.65
! peak number d 415  F1=  4.659  F2=  1.584   null   null  d=  2.1
assi (( resid  31 and name HA) or ( resid 17 and name HA))
     (( resid  31 and name HB*) or ( resid 17 and name HB*))
             2.1 0.53 0.53
! peak number d 420  F1=  4.658  F2=  1.296   null   null  d=  2.4
assi (( resid  31 and name HA) or ( resid 17 and name HA))
     (( resid  31 and name HG*) or ( resid 17 and name HG2))
             2.4 0.60 0.60
! peak number d 1008  F1=  1.592  F2=  2.961   null   null  d=  2.7
assi (( resid  31 and name HE*) or ( resid 17 and name HE*))
     (( resid  31 and name HB*) or ( resid 17 and name HB*))
             2.7 0.68 0.68
! peak number h 848  F1=  6.276  F2=  1.804   null   null  d=  3.5
assi (( resid  31 and name HN))
     (( resid  26 and name HB*))
             3.5 0.89 0.89
! peak number h 399  F1=  1.214  F2=  6.274   null   null  d=  3.3
assi (( resid  31 and name HN))
     (( resid  29 and name HB*))
             3.3 0.82 0.82
! peak number h 194  F1=  6.277  F2=  3.233   null   null  d=  2.7
assi (( resid  31 and name HN))
     (( resid  30 and name HA))
             2.7 0.69 0.69
! peak number h 1073  F1=  1.563  F2=  6.268   null   null  d=  5.2
assi (( resid  31 and name HN))
     (( resid  31 and name HB*))
             5.2 3.10 3.10
! peak number h 474  F1=  6.276  F2=  1.301   null   null  d=  3.1
assi (( resid  31 and name HN))
     (( resid  33 and name HG) or ( resid 31 and name HG*) or ( resid 30 and name HG2))
             3.1 0.79 0.79
! peak number d 177  F1=  4.844  F2=  5.398   null   null  d=  2.4
assi (( resid  32 and name HA))
     (( resid  25 and name HA))
             2.4 0.60 0.60
! peak number d 1059  F1=  5.389  F2=  3.207   null   null  d=  3.8
assi (( resid  32 and name HA))
     (( resid  25 and name HB3))
             3.8 0.95 0.95
! peak number d 14  F1=  5.388  F2=  3.397   null   null  d=  3.3
assi (( resid  32 and name HA))
     (( resid  32 and name HB2))
             3.3 0.84 0.84
! peak number d 31  F1=  5.403  F2=  2.602   null   null  d=  3.1
assi (( resid  32 and name HA))
     (( resid  32 and name HB3))
             3.1 0.77 0.77
! peak number d 1066  F1=  5.391  F2=  1.308   null   null  d=  3.6
assi (( resid  32 and name HA))
     (( resid  33 and name HG))
             3.6 0.90 0.90
! peak number d 1381  F1=  3.191  F2=  5.395   null   null  d=  4.2
assi (( resid  32 and name HA))
     (( resid  53 and name HB2) or ( resid 25 and name HB3))
             4.2 1.05 1.05
! peak number d 1334  F1=  1.198  F2=  5.395   null   null  d=  4.2
assi (( resid  32 and name HA))
     (( resid  57 and name HB3) or ( resid 33 and name HB3))
             4.2 1.04 1.04
! peak number d 681  F1=  0.771  F2=  3.398   null   null  d=  3.6
assi (( resid  32 and name HB2))
     (( resid  50 and name HD1*))
             3.6 0.90 0.90
! peak number d 682  F1=  0.870  F2=  3.400   null   null  d=  3.0
assi (( resid  32 and name HB2))
     (( resid  50 and name HG1*))
             3.0 0.75 0.75
! peak number d 993  F1=  0.769  F2=  2.599   null   null  d=  4.6
assi (( resid  32 and name HB3))
     (( resid  50 and name HD1*))
             4.6 1.15 1.15
! peak number d 687  F1=  0.869  F2=  2.601   null   null  d=  2.7
assi (( resid  32 and name HB3))
     (( resid  50 and name HG1*))
             2.7 0.68 0.68
! peak number h 451  F1=  8.640  F2=  1.570   null   null  d=  3.3
assi (( resid  32 and name HN))
     (( resid  31 and name HB*))
             3.3 0.82 0.82
! peak number h 648  F1=  8.644  F2=  1.302   null   null  d=  3.2
assi (( resid  32 and name HN))
     (( resid  31 and name HG*))
             3.2 0.80 0.80
! peak number h 439  F1=  8.642  F2=  5.385   null   null  d=  3.2
assi (( resid  32 and name HN))
     (( resid  32 and name HA))
             3.2 0.80 0.80
! peak number h 327  F1=  3.378  F2=  8.646   null   null  d=  2.7
assi (( resid  32 and name HN))
     (( resid  32 and name HB2))
             2.7 0.66 0.66
! peak number h 636  F1=  8.643  F2=  2.586   null   null  d=  3.8
assi (( resid  32 and name HN))
     (( resid  32 and name HB3))
             3.8 0.94 0.94
! peak number h 1057  F1=  0.982  F2=  8.638   null   null  d=  5.2
assi (( resid  32 and name HN))
     (( resid  58 and name HD2*) or ( resid 58 and name HD1*))
             5.2 1.90 1.90
! peak number d 1207  F1=  1.620  F2=  5.108   null   null  d=  2.6
assi (( resid  33 and name HA))
     (( resid  33 and name HB2))
             2.6 0.66 0.66
! peak number d 351  F1=  1.206  F2=  5.102   null   null  d=  3.0
assi (( resid  33 and name HA))
     (( resid  33 and name HB3))
             3.0 0.74 0.74
! peak number d 352  F1=  0.942  F2=  5.098   null   null  d=  2.7
assi (( resid  33 and name HA))
     (( resid  33 and name HD1*))
             2.7 0.67 0.67
! peak number d 900  F1=  5.094  F2=  0.831   null   null  d=  3.8
assi (( resid  33 and name HA))
     (( resid  33 and name HD2*))
             3.8 0.95 0.95
! peak number d 350  F1=  1.295  F2=  5.103   null   null  d=  3.0
assi (( resid  33 and name HA))
     (( resid  33 and name HG))
             3.0 0.75 0.75
! peak number d 1  F1=  5.093  F2=  3.971   null   null  d=  2.3
assi (( resid  33 and name HA))
     (( resid  34 and name HD2))
             2.3 0.57 0.57
! peak number d 323  F1=  3.861  F2=  5.103   null   null  d=  2.4
assi (( resid  33 and name HA))
     (( resid  34 and name HD3))
             2.4 0.60 0.60
! peak number d 905  F1=  5.088  F2=  2.183   null   null  d=  3.6
assi (( resid  33 and name HA))
     (( resid  34 and name HG*))
             3.6 0.91 0.91
! peak number d 1423  F1=  0.939  F2=  1.612   null   null  d=  2.3
assi (( resid  33 and name HB2))
     (( resid  33 and name HD1*))
             2.3 0.57 0.57
! peak number d 980  F1=  0.831  F2=  1.605   null   null  d=  2.3
assi (( resid  33 and name HB2))
     (( resid  33 and name HD2*))
             2.3 0.57 0.57
! peak number d 851  F1=  1.205  F2=  0.835   null   null  d=  2.4
assi (( resid  33 and name HB3))
     (( resid  33 and name HD2*))
             2.4 0.60 0.60
! peak number d 977  F1=  0.829  F2=  1.310   null   null  d=  2.3
assi (( resid  33 and name HG))
     (( resid  33 and name HD2*))
             2.3 0.57 0.57
! peak number d 1426  F1=  0.942  F2=  1.305   null   null  d=  2.2
assi (( resid  33 and name HG) or ( resid 31 and name HG*))
     (( resid  33 and name HD1*))
             2.2 0.54 0.54
! peak number h 311  F1=  5.396  F2=  9.310   null   null  d=  2.5
assi (( resid  33 and name HN))
     (( resid  32 and name HA))
             2.5 0.61 0.61
! peak number h 944  F1=  9.303  F2=  2.589   null   null  d=  3.8
assi (( resid  33 and name HN))
     (( resid  32 and name HB3))
             3.8 0.95 0.95
! peak number h 413  F1=  9.312  F2=  5.092   null   null  d=  2.8
assi (( resid  33 and name HN))
     (( resid  33 and name HA))
             2.8 0.70 0.70
! peak number h 1043  F1=  1.622  F2=  9.301   null   null  d=  4.0
assi (( resid  33 and name HN))
     (( resid  33 and name HB2))
             4.0 0.99 0.99
! peak number h 25  F1=  9.305  F2=  1.197   null   null  d=  2.9
assi (( resid  33 and name HN))
     (( resid  33 and name HB3))
             2.9 0.71 0.71
! peak number h 1050  F1=  9.303  F2=  0.939   null   null  d=  4.4
assi (( resid  33 and name HN))
     (( resid  33 and name HD1*))
             4.4 1.10 1.10
! peak number h 1049  F1=  9.305  F2=  0.823   null   null  d=  3.8
assi (( resid  33 and name HN))
     (( resid  33 and name HD2*))
             3.8 0.95 0.95
! peak number h 835  F1=  9.307  F2=  1.300   null   null  d=  3.4
assi (( resid  33 and name HN))
     (( resid  33 and name HG))
             3.4 0.85 0.85
! peak number d 7  F1=  4.891  F2=  3.765   null   null  d=  3.0
assi (( resid  34 and name HA))
     (( resid  22 and name HG))
             3.0 0.75 0.75
! peak number d 345  F1=  1.978  F2=  4.914   null   null  d=  2.6
assi (( resid  34 and name HA))
     (( resid  34 and name HB2))
             2.6 0.65 0.65
! peak number d 38  F1=  4.907  F2=  2.179   null   null  d=  3.5
assi (( resid  34 and name HA))
     (( resid  34 and name HG*))
             3.5 0.86 0.86
! peak number d 1384  F1=  4.263  F2=  4.889   null   null  d=  3.4
assi (( resid  34 and name HA) or ( resid 20 and name HA))
     (( resid  21 and name HA) or ( resid 19 and name HA))
             3.4 0.85 0.85
! peak number d 1015  F1=  3.943  F2=  1.622   null   null  d=  3.0
assi (( resid  34 and name HD2))
     (( resid  33 and name HB2))
             3.0 0.75 0.75
! peak number d 1098  F1=  3.942  F2=  1.214   null   null  d=  4.1
assi (( resid  34 and name HD2))
     (( resid  33 and name HB3))
             4.1 1.02 1.02
! peak number d 388  F1=  3.943  F2=  0.953   null   null  d=  3.4
assi (( resid  34 and name HD2))
     (( resid  33 and name HD1*))
             3.4 0.85 0.85
! peak number d 1006  F1=  1.980  F2=  3.957   null   null  d=  3.3
assi (( resid  34 and name HD2))
     (( resid  34 and name HB2))
             3.3 0.84 0.84
! peak number h 1015  F1=  2.170  F2=  3.957   null   null  d=  2.7
assi (( resid  34 and name HD2))
     (( resid  34 and name HG*))
             2.7 0.70 0.70
! peak number d 389  F1=  3.867  F2=  1.206   null   null  d=  3.1
assi (( resid  34 and name HD3))
     (( resid  33 and name HB3))
             3.1 0.79 0.79
! peak number d 386  F1=  3.868  F2=  0.949   null   null  d=  3.2
assi (( resid  34 and name HD3))
     (( resid  33 and name HD1*))
             3.2 0.81 0.81
! peak number d 459  F1=  3.863  F2=  2.167   null   null  d=  2.5
assi (( resid  34 and name HD3))
     (( resid  34 and name HG*))
             2.5 0.63 0.63
! peak number d 1097  F1=  3.862  F2=  0.828   null   null  d=  4.3
assi (( resid  34 and name HD3) or ( resid 21 and name HB2))
     (( resid  36 and name HD1*) or ( resid 33 and name HD2*))
             4.3 1.07 1.07
! peak number d 329  F1=  3.347  F2=  4.797   null   null  d=  2.7
assi (( resid  35 and name HA))
     (( resid  35 and name HB2))
             2.7 0.69 0.69
! peak number d 781  F1=  3.345  F2=  -0.719   null   null  d=  3.6
assi (( resid  35 and name HB2))
     (( resid  11 and name HG2*))
             3.6 0.90 0.90
! peak number d 971  F1=  2.947  F2=  -0.717   null   null  d=  3.6
assi (( resid  35 and name HB3))
     (( resid  11 and name HG2*))
             3.6 0.90 0.90
! peak number d 1223  F1=  0.828  F2=  2.972   null   null  d=  4.1
assi (( resid  35 and name HB3) or ( resid 26 and name HE2))
     (( resid  36 and name HD1*) or ( resid 33 and name HD2*))
             4.1 1.02 1.02
! peak number d 992  F1=  0.941  F2=  2.952   null   null  d=  4.3
assi (( resid  35 and name HB3) or ( resid 31 and name HE*))
     (( resid  36 and name HB3) or ( resid 33 and name HD1*))
             4.3 1.07 1.07
! peak number d 101  F1=  7.035  F2=  -0.719   null   null  d=  3.0
assi (( resid  35 and name HD*))
     (( resid  11 and name HG2*))
             3.0 0.76 0.76
! peak number d 122  F1=  7.036  F2=  4.266   null   null  d=  3.4
assi (( resid  35 and name HD*))
     (( resid  13 and name HA))
             3.4 0.86 0.86
! peak number d 957  F1=  7.035  F2=  2.049   null   null  d=  3.6
assi (( resid  35 and name HD*))
     (( resid  13 and name HB))
             3.6 0.90 0.90
! peak number d 106  F1=  7.016  F2=  1.070   null   null  d=  2.5
assi (( resid  35 and name HD*))
     (( resid  13 and name HD1*))
             2.5 0.64 0.64
! peak number d 296  F1=  1.547  F2=  7.048   null   null  d=  2.6
assi (( resid  35 and name HD*))
     (( resid  13 and name HG1*))
             2.6 0.66 0.66
! peak number d 754  F1=  7.039  F2=  2.737   null   null  d=  3.5
assi (( resid  35 and name HD*))
     (( resid  22 and name HB3))
             3.5 0.89 0.89
! peak number d 179  F1=  7.038  F2=  5.875   null   null  d=  3.1
assi (( resid  35 and name HD*))
     (( resid  23 and name HA))
             3.1 0.77 0.77
! peak number d 796  F1=  2.727  F2=  7.048   null   null  d=  3.5
assi (( resid  35 and name HD*))
     (( resid  23 and name HB3) or ( resid 22 and name HB3))
             3.5 0.86 0.86
! peak number d 1027  F1=  7.044  F2=  5.330   null   null  d=  4.1
assi (( resid  35 and name HD*))
     (( resid  24 and name HA))
             4.1 1.02 1.02
! peak number d 156  F1=  7.036  F2=  2.843   null   null  d=  2.9
assi (( resid  35 and name HD*))
     (( resid  24 and name HB*))
             2.9 0.72 0.72
! peak number d 1055  F1=  6.566  F2=  7.057   null   null  d=  3.3
assi (( resid  35 and name HD*))
     (( resid  24 and name HE*))
             3.3 0.82 0.82
! peak number d 933  F1=  7.038  F2=  4.915   null   null  d=  4.0
assi (( resid  35 and name HD*))
     (( resid  34 and name HA))
             4.0 1.00 1.00
! peak number d 138  F1=  7.037  F2=  3.350   null   null  d=  2.6
assi (( resid  35 and name HD*))
     (( resid  35 and name HB2))
             2.6 0.65 0.65
! peak number d 152  F1=  7.037  F2=  2.961   null   null  d=  2.4
assi (( resid  35 and name HD*))
     (( resid  35 and name HB3))
             2.4 0.61 0.61
! peak number d 1025  F1=  7.029  F2=  4.549   null   null  d=  4.0
assi (( resid  35 and name HD*))
     (( resid  36 and name HA))
             4.0 1.00 1.00
! peak number d 308  F1=  1.305  F2=  7.050   null   null  d=  3.1
assi (( resid  35 and name HD*))
     (( resid  46 and name HB3) or ( resid 13 and name HG2*))
             3.1 0.78 0.78
! peak number d 1325  F1=  2.325  F2=  7.046   null   null  d=  4.0
assi (( resid  35 and name HD*))
     (( resid  46 and name HD*) or ( resid 37 and name HB3))
             4.0 1.01 1.01
! peak number d 965  F1=  2.028  F2=  7.018   null   null  d=  3.1
assi (( resid  35 and name HD*) or ( resid 25 and name HE1))
     (( resid  30 and name HB2) or ( resid 13 and name HB))
             3.1 0.78 0.78
! peak number d 100  F1=  7.322  F2=  -0.719   null   null  d=  3.2
assi (( resid  35 and name HE*))
     (( resid  11 and name HG2*))
             3.2 0.81 0.81
! peak number d 1047  F1=  7.322  F2=  1.833   null   null  d=  3.9
assi (( resid  35 and name HE*))
     (( resid  12 and name HB2))
             3.9 0.96 0.96
! peak number d 120  F1=  7.323  F2=  4.270   null   null  d=  2.9
assi (( resid  35 and name HE*))
     (( resid  13 and name HA))
             2.9 1.01 1.01
! peak number d 1164  F1=  1.061  F2=  7.323   null   null  d=  4.6
assi (( resid  35 and name HE*))
     (( resid  13 and name HD1*))
             4.6 1.15 1.15
! peak number d 166  F1=  7.325  F2=  3.564   null   null  d=  3.2
assi (( resid  35 and name HE*))
     (( resid  22 and name HB2))
             3.2 0.80 0.80
! peak number d 158  F1=  7.322  F2=  2.727   null   null  d=  3.2
assi (( resid  35 and name HE*))
     (( resid  22 and name HB3))
             3.2 0.79 0.79
! peak number d 206  F1=  5.320  F2=  7.329   null   null  d=  3.7
assi (( resid  35 and name HE*))
     (( resid  24 and name HA))
             3.7 0.91 0.91
! peak number d 155  F1=  7.324  F2=  2.840   null   null  d=  2.4
assi (( resid  35 and name HE*))
     (( resid  24 and name HB*))
             2.4 0.60 0.60
! peak number d 548  F1=  7.033  F2=  7.334   null   null  d=  2.1
assi (( resid  35 and name HE*))
     (( resid  35 and name HD*))
             2.1 0.53 0.53
! peak number d 546  F1=  7.323  F2=  6.965   null   null  d=  2.2
assi (( resid  35 and name HE*))
     (( resid  35 and name HZ))
             2.2 0.56 0.56
! peak number d 738  F1=  7.322  F2=  2.339   null   null  d=  3.5
assi (( resid  35 and name HE*))
     (( resid  37 and name HB3))
             3.5 0.89 0.89
! peak number d 1024  F1=  7.325  F2=  4.780   null   null  d=  4.2
assi (( resid  35 and name HE*))
     (( resid  46 and name HA))
             4.2 1.05 1.05
! peak number d 218  F1=  4.764  F2=  7.322   null   null  d=  3.0
assi (( resid  35 and name HE*))
     (( resid  46 and name HA) or ( resid 37 and name HA))
             3.0 0.75 0.75
! peak number d 961  F1=  7.330  F2=  1.568   null   null  d=  3.2
assi (( resid  35 and name HE*))
     (( resid  46 and name HB2) or ( resid 13 and name HG1*))
             3.2 0.80 0.80
! peak number d 80  F1=  7.329  F2=  1.326   null   null  d=  2.9
assi (( resid  35 and name HE*))
     (( resid  46 and name HB3))
             2.9 0.72 0.72
! peak number d 149  F1=  7.309  F2=  2.967   null   null  d=  3.2
assi (( resid  35 and name HE*) or ( resid 20 and name HE*))
     (( resid  35 and name HB3) or ( resid 18 and name HE*) or ( resid 17 and name HE*))
             3.2 0.80 0.80
! peak number d 752  F1=  7.339  F2=  3.747   null   null  d=  5.0
assi (( resid  35 and name HE*) or ( resid 27 and name HD1))
     (( resid  28 and name HA) or ( resid 22 and name HG))
             5.0 2.00 2.00
! peak number h 440  F1=  8.681  F2=  5.864   null   null  d=  3.5
assi (( resid  35 and name HN))
     (( resid  23 and name HA))
             3.5 0.88 0.88
! peak number h 1081  F1=  8.666  F2=  2.933   null   null  d=  4.3
assi (( resid  35 and name HN))
     (( resid  23 and name HB2))
             4.3 1.07 1.07
! peak number h 432  F1=  8.679  F2=  4.908   null   null  d=  2.3
assi (( resid  35 and name HN))
     (( resid  34 and name HA))
             2.3 0.57 0.57
! peak number h 647  F1=  8.676  F2=  1.984   null   null  d=  3.6
assi (( resid  35 and name HN))
     (( resid  34 and name HB2))
             3.6 0.90 0.90
! peak number h 646  F1=  8.674  F2=  1.882   null   null  d=  3.6
assi (( resid  35 and name HN))
     (( resid  34 and name HB3))
             3.6 0.91 0.91
! peak number h 630  F1=  8.674  F2=  4.787   null   null  d=  3.0
assi (( resid  35 and name HN))
     (( resid  35 and name HA))
             3.0 0.75 0.75
! peak number h 1082  F1=  2.960  F2=  8.669   null   null  d=  4.3
assi (( resid  35 and name HN))
     (( resid  35 and name HB3))
             4.3 1.07 1.07
! peak number h 213  F1=  8.678  F2=  7.030   null   null  d=  2.8
assi (( resid  35 and name HN))
     (( resid  35 and name HD*))
             2.8 0.71 0.71
! peak number h 764  F1=  8.685  F2=  8.475   null   null  d=  2.9
assi (( resid  35 and name HN))
     (( resid  36 and name HN) or ( resid 22 and name HN))
             2.9 0.72 0.72
! peak number d 1319  F1=  6.943  F2=  2.733   null   null  d=  3.7
assi (( resid  35 and name HZ))
     (( resid  22 and name HB3))
             3.7 0.93 0.93
! peak number h 164  F1=  6.953  F2=  2.324   null   null  d=  2.9
assi (( resid  35 and name HZ))
     (( resid  37 and name HB3))
             2.9 0.72 0.72
! peak number d 1235  F1=  6.953  F2=  4.271   null   null  d=  4.8
assi (( resid  35 and name HZ))
     (( resid  42 and name HA1) or ( resid 13 and name HA))
             4.8 1.20 1.20
! peak number d 79  F1=  6.950  F2=  1.333   null   null  d=  2.7
assi (( resid  35 and name HZ))
     (( resid  46 and name HB3))
             2.7 0.68 0.68
! peak number d 74  F1=  6.953  F2=  1.560   null   null  d=  3.0
assi (( resid  35 and name HZ) or ( resid 1 and name HH2))
     (( resid  46 and name HB2) or ( resid 30 and name HD2))
             3.0 0.74 0.74
! peak number d 746  F1=  6.936  F2=  0.331   null   null  d=  4.0
assi (( resid  35 and name HZ) or ( resid 24 and name HD*))
     (( resid  11 and name HG1*))
             4.0 1.00 1.00
! peak number d 102  F1=  6.939  F2=  -0.719   null   null  d=  2.9
assi (( resid  35 and name HZ) or ( resid 24 and name HD*))
     (( resid  11 and name HG2*))
             2.9 0.74 0.74
! peak number d 1051  F1=  6.932  F2=  1.816   null   null  d=  3.8
assi (( resid  35 and name HZ) or ( resid 24 and name HD*))
     (( resid  26 and name HB*) or ( resid 12 and name HB2))
             3.8 0.95 0.95
! peak number d 277  F1=  2.835  F2=  6.949   null   null  d=  2.2
assi (( resid  35 and name HZ) or ( resid 24 and name HD*))
     (( resid  37 and name HB2) or ( resid 24 and name HB*))
             2.2 0.55 0.55
! peak number d 1243  F1=  3.218  F2=  6.940   null   null  d=  4.1
assi (( resid  35 and name HZ) or ( resid 24 and name HD*) or ( resid 1 and name HH2))
     (( resid  30 and name HA) or ( resid 25 and name HB3) or ( resid 12 and name HD*) or ( resid 1 and name HB3))
             4.1 1.02 1.02
! peak number d 759  F1=  6.933  F2=  3.902   null   null  d=  3.5
assi (( resid  35 and name HZ) or ( resid 24 and name HD*) or ( resid 1 and name HH2))
     (( resid  4 and name HD2) or ( resid 11 and name HA))
             3.5 0.89 0.89
! peak number d 1166  F1=  1.062  F2=  6.946   null   null  d=  4.5
assi (( resid  35 and name HZ) or ( resid 24 and name HD*) or ( resid 1 and name HH2))
     (( resid  60 and name HG*) or ( resid 13 and name HD1*))
             4.5 1.50 1.50
! peak number d 538  F1=  4.527  F2=  4.279   null   null  d=  2.5
assi (( resid  36 and name HA))
     (( resid  21 and name HA))
             2.5 0.61 0.61
! peak number d 356  F1=  0.947  F2=  4.538   null   null  d=  2.6
assi (( resid  36 and name HA))
     (( resid  36 and name HB3))
             2.6 0.65 0.65
! peak number d 881  F1=  0.803  F2=  4.539   null   null  d=  4.7
assi (( resid  36 and name HA))
     (( resid  36 and name HD1*))
             4.7 1.18 1.18
! peak number d 379  F1=  4.526  F2=  0.685   null   null  d=  2.5
assi (( resid  36 and name HA))
     (( resid  36 and name HD2*))
             2.5 0.62 0.62
! peak number d 908  F1=  4.529  F2=  0.819   null   null  d=  3.2
assi (( resid  36 and name HA) or ( resid 26 and name HA))
     (( resid  36 and name HD1*) or ( resid 33 and name HD2*))
             3.2 0.80 0.80
! peak number d 715  F1=  0.947  F2=  1.794   null   null  d=  1.9
assi (( resid  36 and name HB2))
     (( resid  36 and name HB3))
             1.9 0.47 0.47
! peak number d 716  F1=  0.791  F2=  1.763   null   null  d=  2.6
assi (( resid  36 and name HB2))
     (( resid  36 and name HD1*))
             2.6 0.65 0.65
! peak number d 836  F1=  1.774  F2=  0.682   null   null  d=  3.2
assi (( resid  36 and name HB2))
     (( resid  36 and name HD2*))
             3.2 0.80 0.80
! peak number d 839  F1=  1.505  F2=  0.821   null   null  d=  2.4
assi (( resid  36 and name HG))
     (( resid  36 and name HD1*))
             2.4 0.60 0.60
! peak number d 833  F1=  1.507  F2=  0.682   null   null  d=  2.6
assi (( resid  36 and name HG))
     (( resid  36 and name HD2*))
             2.6 0.65 0.65
! peak number h 641  F1=  8.445  F2=  3.337   null   null  d=  3.3
assi (( resid  36 and name HN))
     (( resid  35 and name HB2))
             3.3 0.84 0.84
! peak number h 74  F1=  8.439  F2=  2.955   null   null  d=  2.7
assi (( resid  36 and name HN))
     (( resid  35 and name HB3))
             2.7 0.68 0.68
! peak number h 214  F1=  8.449  F2=  7.037   null   null  d=  3.2
assi (( resid  36 and name HN))
     (( resid  35 and name HD*))
             3.2 0.79 0.79
! peak number h 50  F1=  8.436  F2=  1.757   null   null  d=  2.7
assi (( resid  36 and name HN))
     (( resid  36 and name HB2))
             2.7 0.68 0.68
! peak number h 643  F1=  8.448  F2=  0.951   null   null  d=  3.7
assi (( resid  36 and name HN))
     (( resid  36 and name HB3))
             3.7 1.10 1.10
! peak number h 1054  F1=  8.447  F2=  0.801   null   null  d=  3.8
assi (( resid  36 and name HN))
     (( resid  36 and name HD1*))
             3.8 0.95 0.95
! peak number h 651  F1=  8.438  F2=  1.505   null   null  d=  3.0
assi (( resid  36 and name HN))
     (( resid  36 and name HG))
             3.0 0.75 0.75
! peak number h 565  F1=  0.680  F2=  8.467   null   null  d=  3.3
assi (( resid  36 and name HN) or ( resid 22 and name HN))
     (( resid  36 and name HD2*))
             3.3 0.82 0.82
! peak number h 770  F1=  8.159  F2=  8.460   null   null  d=  2.8
assi (( resid  36 and name HN) or ( resid 22 and name HN))
     (( resid  37 and name HN))
             2.8 0.70 0.70
! peak number d 558  F1=  2.804  F2=  2.334   null   null  d=  2.6
assi (( resid  37 and name HB2))
     (( resid  37 and name HB3))
             2.6 0.65 0.65
! peak number d 1035  F1=  6.990  F2=  4.280   null   null  d=  4.0
assi (( resid  37 and name HD*))
     (( resid  42 and name HA1) or ( resid 13 and name HA))
             4.0 1.00 1.00
! peak number d 758  F1=  6.989  F2=  3.839   null   null  d=  3.2
assi (( resid  37 and name HD*))
     (( resid  42 and name HA2))
             3.2 0.79 0.79
! peak number d 1253  F1=  6.993  F2=  3.057   null   null  d=  3.9
assi (( resid  37 and name HD*) or ( resid 25 and name HE1))
     (( resid  54 and name HD2) or ( resid 39 and name HA2))
             3.9 0.97 0.97
! peak number d 1255  F1=  3.544  F2=  6.958   null   null  d=  4.0
assi (( resid  37 and name HD*) or ( resid 35 and name HZ))
     (( resid  22 and name HB2))
             4.0 1.00 1.00
! peak number d 290  F1=  2.326  F2=  6.969   null   null  d=  2.8
assi (( resid  37 and name HD*) or ( resid 35 and name HZ))
     (( resid  37 and name HB3))
             2.8 0.69 0.69
! peak number d 1111  F1=  4.261  F2=  6.965   null   null  d=  4.1
assi (( resid  37 and name HD*) or ( resid 35 and name HZ))
     (( resid  42 and name HA1) or ( resid 13 and name HA))
             4.1 1.02 1.02
! peak number d 297  F1=  1.552  F2=  6.959   null   null  d=  3.0
assi (( resid  37 and name HD*) or ( resid 35 and name HZ))
     (( resid  46 and name HB2))
             3.0 0.75 0.75
! peak number d 310  F1=  1.317  F2=  6.961   null   null  d=  2.7
assi (( resid  37 and name HD*) or ( resid 35 and name HZ))
     (( resid  46 and name HB3))
             2.7 0.68 0.68
! peak number d 1161  F1=  1.172  F2=  6.960   null   null  d=  3.2
assi (( resid  37 and name HD*) or ( resid 35 and name HZ))
     (( resid  46 and name HG*))
             3.2 0.80 0.80
! peak number h 143  F1=  6.955  F2=  1.556   null   null  d=  3.1
assi (( resid  37 and name HD*) or ( resid 35 and name HZ) or ( resid 1 and name HH2))
     (( resid  46 and name HB2) or ( resid 30 and name HD2))
             3.1 0.78 0.78
! peak number d 921  F1=  4.775  F2=  6.955   null   null  d=  4.0
assi (( resid  37 and name HD*) or ( resid 35 and name HZ) or ( resid 24 and name HD*))
     (( resid  46 and name HA) or ( resid 35 and name HA))
             4.0 1.00 1.00
! peak number d 963  F1=  2.814  F2=  7.145   null   null  d=  3.7
assi (( resid  37 and name HE*))
     (( resid  37 and name HB2))
             3.7 0.93 0.93
! peak number d 930  F1=  7.138  F2=  4.530   null   null  d=  3.7
assi (( resid  37 and name HE*))
     (( resid  39 and name HA1))
             3.7 0.93 0.93
! peak number d 150  F1=  7.139  F2=  3.047   null   null  d=  2.8
assi (( resid  37 and name HE*))
     (( resid  39 and name HA2))
             2.8 0.70 0.70
! peak number d 121  F1=  7.141  F2=  4.280   null   null  d=  3.2
assi (( resid  37 and name HE*))
     (( resid  42 and name HA1))
             3.2 0.81 0.81
! peak number d 164  F1=  7.141  F2=  3.841   null   null  d=  2.9
assi (( resid  37 and name HE*))
     (( resid  42 and name HA2))
             2.9 0.73 0.73
! peak number h 656  F1=  8.160  F2=  4.268   null   null  d=  3.7
assi (( resid  37 and name HN))
     (( resid  21 and name HA) or ( resid 19 and name HA) or ( resid 13 and name HA))
             3.7 0.93 0.93
! peak number h 101  F1=  8.157  F2=  4.531   null   null  d=  2.3
assi (( resid  37 and name HN))
     (( resid  36 and name HA))
             2.3 0.57 0.57
! peak number h 1056  F1=  8.150  F2=  0.941   null   null  d=  3.5
assi (( resid  37 and name HN))
     (( resid  36 and name HB3))
             3.5 0.88 0.88
! peak number h 854  F1=  8.160  F2=  0.673   null   null  d=  3.8
assi (( resid  37 and name HN))
     (( resid  36 and name HD2*))
             3.8 0.94 0.94
! peak number h 345  F1=  2.799  F2=  8.156   null   null  d=  2.5
assi (( resid  37 and name HN))
     (( resid  37 and name HB2))
             2.5 0.61 0.61
! peak number d 845  F1=  4.455  F2=  4.249   null   null  d=  2.7
assi (( resid  38 and name HA))
     (( resid  19 and name HA))
             2.7 0.70 0.70
! peak number d 438  F1=  4.457  F2=  3.519   null   null  d=  2.6
assi (( resid  38 and name HA))
     (( resid  38 and name HB3))
             2.6 0.65 0.65
! peak number d 504  F1=  3.509  F2=  3.818   null   null  d=  1.9
assi (( resid  38 and name HB2))
     (( resid  38 and name HB3))
             1.9 0.46 0.46
! peak number h 635  F1=  8.341  F2=  4.460   null   null  d=  2.9
assi (( resid  38 and name HN))
     (( resid  38 and name HA))
             2.9 0.72 0.72
! peak number h 324  F1=  3.518  F2=  8.342   null   null  d=  2.7
assi (( resid  38 and name HN))
     (( resid  38 and name HB3))
             2.7 0.69 0.69
! peak number h 103  F1=  8.343  F2=  4.384   null   null  d=  3.0
assi (( resid  38 and name HN))
     (( resid  39 and name HN))
             3.0 0.75 0.75
! peak number d 433  F1=  4.517  F2=  3.060   null   null  d=  2.1
assi (( resid  39 and name HA1))
     (( resid  39 and name HA2))
             2.1 0.99 0.99
! peak number h 1038  F1=  3.047  F2=  4.403   null   null  d=  2.5
assi (( resid  39 and name HN))
     (( resid  39 and name HA2))
             2.5 0.62 0.62
! peak number d 391  F1=  4.278  F2=  0.752   null   null  d=  3.2
assi (( resid  4 and name HA))
     (( resid  4 and name HB2))
             3.2 0.81 0.81
! peak number d 409  F1=  4.279  F2=  1.941   null   null  d=  2.5
assi (( resid  4 and name HA))
     (( resid  4 and name HB3))
             2.5 0.64 0.64
! peak number d 1078  F1=  4.278  F2=  3.694   null   null  d=  3.0
assi (( resid  4 and name HA))
     (( resid  4 and name HD3))
             3.0 0.75 0.75
! peak number d 708  F1=  0.729  F2=  1.937   null   null  d=  2.2
assi (( resid  4 and name HB3))
     (( resid  4 and name HB2))
             2.2 0.55 0.55
! peak number d 1197  F1=  3.677  F2=  3.903   null   null  d=  1.9
assi (( resid  4 and name HD2))
     (( resid  4 and name HD3))
             1.9 0.47 0.47
! peak number d 468  F1=  3.881  F2=  1.905   null   null  d=  2.7
assi (( resid  4 and name HD2))
     (( resid  4 and name HG2))
             2.7 0.67 0.67
! peak number d 640  F1=  1.586  F2=  3.898   null   null  d=  2.2
assi (( resid  4 and name HD2))
     (( resid  4 and name HG3))
             2.2 0.55 0.55
! peak number d 451  F1=  3.883  F2=  2.485   null   null  d=  3.4
assi (( resid  4 and name HD2))
     (( resid  6 and name HB2) or ( resid 3 and name HB2))
             3.4 0.85 0.85
! peak number d 426  F1=  3.867  F2=  1.599   null   null  d=  2.5
assi (( resid  4 and name HD2) or ( resid 34 and name HD3))
     (( resid  4 and name HG3) or ( resid 33 and name HB2))
             2.5 0.62 0.62
! peak number d 387  F1=  3.891  F2=  0.751   null   null  d=  3.4
assi (( resid  4 and name HD2) or ( resid 34 and name HD3))
     (( resid  50 and name HD1*) or ( resid 4 and name HB2))
             3.4 0.85 0.85
! peak number d 1374  F1=  1.779  F2=  3.690   null   null  d=  4.1
assi (( resid  4 and name HD3))
     (( resid  3 and name HB3) or ( resid 2 and name HB2))
             4.1 1.02 1.02
! peak number d 611  F1=  1.587  F2=  3.689   null   null  d=  3.4
assi (( resid  4 and name HD3))
     (( resid  4 and name HG3))
             3.4 0.84 0.84
! peak number d 467  F1=  3.680  F2=  1.903   null   null  d=  2.4
assi (( resid  4 and name HD3) or ( resid 10 and name HD3))
     (( resid  4 and name HG2) or ( resid 10 and name HG3))
             2.4 0.60 0.60
! peak number d 835  F1=  1.584  F2=  0.744   null   null  d=  3.0
assi (( resid  4 and name HG3))
     (( resid  4 and name HB2))
             3.0 0.76 0.76
! peak number d 1386  F1=  3.954  F2=  4.918   null   null  d=  3.3
assi (( resid  40 and name HA) or ( resid 34 and name HA))
     (( resid  41 and name HA2) or ( resid 34 and name HD2))
             3.3 0.82 0.82
! peak number h 126  F1=  7.534  F2=  2.616   null   null  d=  3.0
assi (( resid  40 and name HN))
     (( resid  16 and name HB3))
             3.0 0.76 0.76
! peak number h 664  F1=  7.531  F2=  4.393   null   null  d=  2.9
assi (( resid  40 and name HN))
     (( resid  39 and name HN))
             2.9 0.72 0.72
! peak number d 1074  F1=  4.098  F2=  1.590   null   null  d=  3.5
assi (( resid  41 and name HA1) or ( resid 3 and name HA))
     (( resid  4 and name HG3) or ( resid 2 and name HB3) or ( resid 12 and name HG3))
             3.5 0.88 0.88
! peak number h 428  F1=  8.816  F2=  4.890   null   null  d=  2.7
assi (( resid  41 and name HN))
     (( resid  40 and name HA))
             2.7 0.68 0.68
! peak number h 1097  F1=  8.811  F2=  3.221   null   null  d=  4.1
assi (( resid  41 and name HN))
     (( resid  40 and name HB*))
             4.1 1.02 1.02
! peak number h 30  F1=  8.815  F2=  4.069   null   null  d=  3.5
assi (( resid  41 and name HN))
     (( resid  41 and name HA1))
             3.5 0.88 0.88
! peak number h 32  F1=  8.813  F2=  3.959   null   null  d=  2.9
assi (( resid  41 and name HN))
     (( resid  41 and name HA2))
             2.9 0.71 0.71
! peak number h 606  F1=  8.814  F2=  8.517   null   null  d=  2.7
assi (( resid  41 and name HN))
     (( resid  42 and name HN))
             2.7 0.68 0.68
! peak number d 1077  F1=  4.274  F2=  3.200   null   null  d=  3.3
assi (( resid  42 and name HA1))
     (( resid  12 and name HD*))
             3.3 0.82 0.82
! peak number d 508  F1=  3.825  F2=  4.287   null   null  d=  1.9
assi (( resid  42 and name HA1))
     (( resid  42 and name HA2))
             1.9 0.47 0.47
! peak number d 416  F1=  4.250  F2=  1.823   null   null  d=  2.3
assi (( resid  42 and name HA1) or ( resid 19 and name HA))
     (( resid  19 and name HB2) or ( resid 12 and name HB2))
             2.3 0.59 0.59
! peak number d 1079  F1=  4.258  F2=  2.821   null   null  d=  4.1
assi (( resid  42 and name HA1) or ( resid 19 and name HA) or ( resid 13 and name HA))
     (( resid  37 and name HB2))
             4.1 1.02 1.02
! peak number d 1390  F1=  3.189  F2=  4.286   null   null  d=  3.3
assi (( resid  42 and name HA1) or ( resid 21 and name HA))
     (( resid  20 and name HB2) or ( resid 12 and name HD*))
             3.3 0.82 0.82
! peak number d 453  F1=  3.807  F2=  2.335   null   null  d=  3.5
assi (( resid  42 and name HA2) or ( resid 10 and name HD2))
     (( resid  46 and name HD*) or ( resid 10 and name HB*))
             3.5 0.88 0.88
! peak number h 215  F1=  8.521  F2=  6.991   null   null  d=  3.1
assi (( resid  42 and name HN))
     (( resid  37 and name HD*))
             3.1 0.78 0.78
! peak number h 612  F1=  8.522  F2=  7.144   null   null  d=  3.5
assi (( resid  42 and name HN))
     (( resid  37 and name HE*))
             3.5 0.86 0.86
! peak number h 425  F1=  8.525  F2=  4.073   null   null  d=  3.1
assi (( resid  42 and name HN))
     (( resid  41 and name HA1))
             3.1 0.78 0.78
! peak number h 424  F1=  8.520  F2=  3.965   null   null  d=  3.5
assi (( resid  42 and name HN))
     (( resid  41 and name HA2))
             3.5 0.88 0.88
! peak number h 316  F1=  3.834  F2=  8.512   null   null  d=  2.6
assi (( resid  42 and name HN))
     (( resid  42 and name HA2))
             2.6 0.66 0.66
! peak number d 23  F1=  4.820  F2=  2.762   null   null  d=  2.6
assi (( resid  43 and name HA))
     (( resid  43 and name HB3))
             2.6 0.65 0.65
! peak number d 902  F1=  4.823  F2=  1.023   null   null  d=  4.2
assi (( resid  43 and name HA))
     (( resid  44 and name HB*))
             4.2 1.05 1.05
! peak number d 12  F1=  4.820  F2=  3.472   null   null  d=  2.4
assi (( resid  43 and name HA) or ( resid 16 and name HA))
     (( resid  43 and name HB2) or ( resid 16 and name HB2))
             2.4 0.60 0.60
! peak number d 575  F1=  2.753  F2=  3.460   null   null  d=  1.9
assi (( resid  43 and name HB2))
     (( resid  43 and name HB3))
             1.9 0.47 0.47
! peak number d 1363  F1=  1.528  F2=  2.763   null   null  d=  4.7
assi (( resid  43 and name HB3))
     (( resid  12 and name HB3))
             4.7 1.18 1.18
! peak number d 1364  F1=  2.739  F2=  1.532   null   null  d=  4.1
assi (( resid  43 and name HB3) or ( resid 22 and name HB3))
     (( resid  46 and name HB2) or ( resid 36 and name HG) or ( resid 12 and name HB3))
             4.1 1.02 1.02
! peak number h 799  F1=  7.975  F2=  3.688   null   null  d=  3.9
assi (( resid  43 and name HD21))
     (( resid  10 and name HD3))
             3.9 0.97 0.97
! peak number h 876  F1=  1.633  F2=  7.973   null   null  d=  3.9
assi (( resid  43 and name HD21))
     (( resid  12 and name HG2))
             3.9 0.97 0.97
! peak number h 458  F1=  7.946  F2=  1.565   null   null  d=  3.1
assi (( resid  43 and name HD21))
     (( resid  12 and name HG3))
             3.1 0.79 0.79
! peak number h 443  F1=  7.976  F2=  3.494   null   null  d=  3.1
assi (( resid  43 and name HD21))
     (( resid  43 and name HB2))
             3.1 0.78 0.78
! peak number h 346  F1=  2.764  F2=  7.975   null   null  d=  2.7
assi (( resid  43 and name HD21))
     (( resid  43 and name HB3))
             2.7 0.68 0.68
! peak number h 652  F1=  8.444  F2=  1.613   null   null  d=  3.1
assi (( resid  43 and name HD22))
     (( resid  12 and name HG3))
             3.1 0.78 0.78
! peak number h 640  F1=  8.443  F2=  2.765   null   null  d=  3.9
assi (( resid  43 and name HD22))
     (( resid  43 and name HB3))
             3.9 0.97 0.97
! peak number h 221  F1=  8.450  F2=  7.971   null   null  d=  2.0
assi (( resid  43 and name HD22))
     (( resid  43 and name HD21))
             2.0 0.50 0.50
! peak number h 558  F1=  2.271  F2=  8.433   null   null  d=  3.1
assi (( resid  43 and name HD22))
     (( resid  9 and name HG2))
             3.1 0.78 0.78
! peak number h 450  F1=  8.438  F2=  2.233   null   null  d=  3.0
assi (( resid  43 and name HD22))
     (( resid  9 and name HG2) or ( resid 9 and name HB*))
             3.0 0.75 0.75
! peak number h 1061  F1=  1.843  F2=  8.369   null   null  d=  3.7
assi (( resid  43 and name HN))
     (( resid  12 and name HB2))
             3.7 0.93 0.93
! peak number h 918  F1=  1.532  F2=  8.369   null   null  d=  3.6
assi (( resid  43 and name HN))
     (( resid  12 and name HB3))
             3.6 0.90 0.90
! peak number h 99  F1=  8.364  F2=  4.275   null   null  d=  2.5
assi (( resid  43 and name HN))
     (( resid  42 and name HA1))
             2.5 0.62 0.62
! peak number h 633  F1=  8.375  F2=  4.821   null   null  d=  2.6
assi (( resid  43 and name HN))
     (( resid  43 and name HA))
             2.6 0.65 0.65
! peak number h 317  F1=  3.830  F2=  8.365   null   null  d=  2.5
assi (( resid  43 and name HN) or ( resid 38 and name HN))
     (( resid  42 and name HA2) or ( resid 38 and name HB2))
             2.5 0.62 0.62
! peak number d 384  F1=  4.084  F2=  1.026   null   null  d=  2.6
assi (( resid  44 and name HA))
     (( resid  44 and name HB*))
             2.6 0.66 0.66
! peak number d 1393  F1=  3.493  F2=  4.107   null   null  d=  3.7
assi (( resid  44 and name HA) or ( resid 3 and name HA))
     (( resid  43 and name HB2) or ( resid 3 and name HD2))
             3.7 0.93 0.93
! peak number d 448  F1=  4.097  F2=  3.503   null   null  d=  3.3
assi (( resid  44 and name HA) or ( resid 41 and name HA1) or ( resid 3 and name HA) or ( resid 15 and name HB2))
     (( resid  43 and name HB2) or ( resid 38 and name HB3) or ( resid 3 and name HD2))
             3.3 0.82 0.82
! peak number d 431  F1=  4.649  F2=  3.131   null   null  d=  2.7
assi (( resid  45 and name HA))
     (( resid  45 and name HB2))
             2.7 0.68 0.68
! peak number d 435  F1=  4.652  F2=  2.888   null   null  d=  2.6
assi (( resid  45 and name HA))
     (( resid  45 and name HB3))
             2.6 0.65 0.65
! peak number d 383  F1=  4.660  F2=  0.997   null   null  d=  3.1
assi (( resid  45 and name HA) or ( resid 31 and name HA))
     (( resid  58 and name HD2*) or ( resid 58 and name HD1*) or ( resid 44 and name HB*))
             3.1 0.78 0.78
! peak number d 552  F1=  2.867  F2=  2.219   null   null  d=  3.1
assi (( resid  45 and name HB3))
     (( resid  9 and name HB*))
             3.1 0.78 0.78
! peak number h 542  F1=  2.841  F2=  8.345   null   null  d=  3.2
assi (( resid  45 and name HD21))
     (( resid  24 and name HB*))
             3.2 0.3 0.3
! peak number h 220  F1=  8.344  F2=  7.952   null   null  d=  2.0
assi (( resid  45 and name HD21))
     (( resid  45 and name HD22))
             2.0 0.50 0.50
! peak number h 298  F1=  6.937  F2=  8.339   null   null  d=  2.9
assi (( resid  45 and name HD21))
     (( resid  24 and name HD*))
             2.9 0.3 0.3
! peak number h 56  F1=  8.342  F2=  1.297   null   null  d=  3.4
assi (( resid  45 and name HD21) or ( resid 38 and name HN))
     (( resid  46 and name HB3) or ( resid 13 and name HG2*))
             3.4 0.85 0.85
! peak number h 970  F1=  7.141  F2=  8.339   null   null  d=  3.8
assi (( resid  45 and name HD21) or ( resid 38 and name HN))
     (( resid  47 and name HD*) or ( resid 37 and name HE*))
             3.8 0.95 0.95
! peak number h 768  F1=  8.340  F2=  7.312   null   null  d=  4.0
assi (( resid  45 and name HD21) or ( resid 38 and name HN))
     (( resid  5 and name HH2) or ( resid 35 and name HE*) or ( resid 15 and name HN))
             4.0 1.00 1.00
! peak number h 419  F1=  7.964  F2=  7.233   null   null  d=  3.5
assi (( resid  45 and name HD22))
     (( resid  9 and name HN))
             3.5 0.3 0.3
! peak number h 541  F1=  2.872  F2=  7.960   null   null  d=  2.5
assi (( resid  45 and name HD22))
     (( resid  45 and name HB3))
             2.5 0.3 0.3
! peak number h 340  F1=  3.131  F2=  7.964   null   null  d=  2.5
assi (( resid  45 and name HD22))
     (( resid  45 and name HB2))
             2.5 0.3 0.3
! peak number h xxx  F1=  2.872  F2=  7.960   null   null  d=  3.0
assi (( resid  45 and name HD22))
     (( resid  45 and name OD1))
             3.0 0.3 0.3
! peak number h xxx  F1=  2.872  F2=  7.960   null   null  d=  2.3
assi (( resid  45 and name HD21))
     (( resid  45 and name OD1))
             2.3 0.3 0.3
! peak number h 856  F1=  7.547  F2=  1.017   null   null  d=  4.0
assi (( resid  45 and name HN))
     (( resid  44 and name HB*))
             4.0 1.00 1.00
! peak number h 119  F1=  7.558  F2=  3.120   null   null  d=  3.0
assi (( resid  45 and name HN))
     (( resid  45 and name HB2))
             3.0 0.76 0.76
! peak number h 123  F1=  7.551  F2=  2.881   null   null  d=  3.0
assi (( resid  45 and name HN))
     (( resid  45 and name HB3))
             3.0 0.74 0.74
! peak number d 1209  F1=  1.553  F2=  4.787   null   null  d=  3.1
assi (( resid  46 and name HA))
     (( resid  46 and name HB2))
             3.1 0.77 0.77
! peak number d 1188  F1=  1.322  F2=  4.803   null   null  d=  2.6
assi (( resid  46 and name HA))
     (( resid  46 and name HB3))
             2.6 0.65 0.65
! peak number d 903  F1=  4.763  F2=  1.154   null   null  d=  3.0
assi (( resid  46 and name HA))
     (( resid  46 and name HG*))
             3.0 0.75 0.75
! peak number d 710  F1=  1.156  F2=  2.341   null   null  d=  2.6
assi (( resid  46 and name HD*))
     (( resid  46 and name HG*))
             2.6 0.65 0.65
! peak number h 197  F1=  6.694  F2=  2.325   null   null  d=  2.7
assi (( resid  46 and name HE))
     (( resid  46 and name HD*) or ( resid 37 and name HB3))
             2.7 0.66 0.66
! peak number h 277  F1=  6.688  F2=  6.119   null   null  d=  2.6
assi (( resid  46 and name HE))
     (( resid  46 and name HH*))
             2.6 0.65 0.65
! peak number h 185  F1=  6.690  F2=  1.310   null   null  d=  3.2
assi (( resid  46 and name HE) or ( resid 19 and name HE21))
     (( resid  46 and name HB3) or ( resid 13 and name HG2*))
             3.2 0.80 0.80
! peak number h 713  F1=  2.324  F2=  6.119   null   null  d=  3.2
assi (( resid  46 and name HH*))
     (( resid  46 and name HD*))
             3.2 0.81 0.81
! peak number h 939  F1=  2.835  F2=  6.556   null   null  d=  5.0
assi (( resid  46 and name HH*) or ( resid 24 and name HE*))
     (( resid  37 and name HB2) or ( resid 24 and name HB*))
             5.0 1.25 1.25
! peak number h 183  F1=  6.562  F2=  1.580   null   null  d=  2.7
assi (( resid  46 and name HH*))
     (( resid  12 and name HG3))
             2.7 0.68 0.68
! peak number h 849  F1=  6.403  F2=  1.552   null   null  d=  3.5
assi (( resid  46 and name HN))
     (( resid  46 and name HB2))
             3.5 0.88 0.88
! peak number h 186  F1=  6.399  F2=  1.310   null   null  d=  3.3
assi (( resid  46 and name HN))
     (( resid  46 and name HB3))
             3.3 0.82 0.82
! peak number d 16  F1=  4.977  F2=  3.354   null   null  d=  2.5
assi (( resid  47 and name HA))
     (( resid  47 and name HB2))
             2.5 0.64 0.64
! peak number d 33  F1=  4.978  F2=  2.588   null   null  d=  2.9
assi (( resid  47 and name HA))
     (( resid  47 and name HB3))
             2.9 0.72 0.72
! peak number d 1337  F1=  4.977  F2=  2.338   null   null  d=  3.9
assi (( resid  47 and name HA))
     (( resid  52 and name HG3) or ( resid 48 and name HB3) or ( resid 46 and name HD*))
             3.9 0.97 0.97
! peak number d 1068  F1=  4.981  F2=  2.171   null   null  d=  4.1
assi (( resid  47 and name HA))
     (( resid  53 and name HA) or ( resid 52 and name HB*))
             4.1 1.02 1.02
! peak number d 1205  F1=  2.712  F2=  3.350   null   null  d=  2.8
assi (( resid  47 and name HB2))
     (( resid  23 and name HB3))
             2.8 0.70 0.70
! peak number d 551  F1=  3.336  F2=  2.336   null   null  d=  3.4
assi (( resid  47 and name HB2))
     (( resid  52 and name HG3))
             3.4 0.85 0.85
! peak number d 580  F1=  2.173  F2=  3.355   null   null  d=  2.4
assi (( resid  47 and name HB2) or ( resid 3 and name HD3))
     (( resid  52 and name HB*) or ( resid 3 and name HG2))
             2.4 0.60 0.60
! peak number d 207  F1=  5.318  F2=  7.120   null   null  d=  3.0
assi (( resid  47 and name HD*))
     (( resid  24 and name HA))
             3.0 0.74 0.74
! peak number d 916  F1=  4.974  F2=  7.138   null   null  d=  3.2
assi (( resid  47 and name HD*))
     (( resid  47 and name HA))
             3.2 0.79 0.79
! peak number d 267  F1=  3.335  F2=  7.139   null   null  d=  3.3
assi (( resid  47 and name HD*))
     (( resid  47 and name HB2))
             3.3 0.82 0.82
! peak number d 286  F1=  2.573  F2=  7.139   null   null  d=  3.2
assi (( resid  47 and name HD*))
     (( resid  47 and name HB3))
             3.2 0.79 0.79
! peak number d 1323  F1=  2.186  F2=  7.118   null   null  d=  3.1
assi (( resid  47 and name HD*))
     (( resid  53 and name HA))
             3.1 0.78 0.78
! peak number d 755  F1=  7.140  F2=  2.819   null   null  d=  3.4
assi (( resid  47 and name HD*) or ( resid 37 and name HE*))
     (( resid  37 and name HB2) or ( resid 24 and name HB*))
             3.4 0.85 0.85
! peak number d 1315  F1=  1.309  F2=  7.134   null   null  d=  4.2
assi (( resid  47 and name HD*) or ( resid 37 and name HE*))
     (( resid  46 and name HB3))
             4.2 1.05 1.05
! peak number d 291  F1=  2.327  F2=  7.149   null   null  d=  3.3
assi (( resid  47 and name HD*) or ( resid 37 and name HE*))
     (( resid  52 and name HG3) or ( resid 46 and name HD*))
             3.3 0.82 0.82
! peak number d 1414  F1=  7.948  F2=  4.157   null   null  d=  4.9
assi (( resid  47 and name HE*))
     (( resid  56 and name HA))
             4.9 1.23 1.23
! peak number d 1307  F1=  1.747  F2=  7.954   null   null  d=  2.9
assi (( resid  47 and name HE*))
     (( resid  56 and name HD3))
             2.9 0.99 0.99
! peak number h 108  F1=  9.488  F2=  9.145   null   null  d=  2.7
assi (( resid  47 and name HN))
     (( resid  23 and name HN))
             2.7 0.69 0.69
! peak number h 777  F1=  7.319  F2=  9.487   null   null  d=  4.1
assi (( resid  47 and name HN))
     (( resid  35 and name HE*))
             4.1 1.40 1.40
! peak number h 836  F1=  9.483  F2=  1.319   null   null  d=  3.3
assi (( resid  47 and name HN))
     (( resid  46 and name HB3))
             3.3 0.82 0.82
! peak number h 1041  F1=  9.481  F2=  1.158   null   null  d=  3.4
assi (( resid  47 and name HN))
     (( resid  46 and name HG*))
             3.4 0.85 0.85
! peak number h 412  F1=  9.490  F2=  4.983   null   null  d=  2.8
assi (( resid  47 and name HN))
     (( resid  47 and name HA))
             2.8 0.70 0.70
! peak number h 23  F1=  9.485  F2=  2.565   null   null  d=  3.0
assi (( resid  47 and name HN))
     (( resid  47 and name HB3))
             3.0 0.74 0.74
! peak number h 946  F1=  9.484  F2=  7.122   null   null  d=  3.2
assi (( resid  47 and name HN))
     (( resid  47 and name HD*))
             3.2 0.80 0.80
! peak number d 412  F1=  4.565  F2=  2.371   null   null  d=  2.5
assi (( resid  48 and name HA))
     (( resid  48 and name HB2))
             2.5 0.64 0.64
! peak number d 532  F1=  2.328  F2=  4.568   null   null  d=  3.2
assi (( resid  48 and name HA))
     (( resid  48 and name HB3))
             3.2 0.80 0.80
! peak number d 1217  F1=  2.632  F2=  4.564   null   null  d=  3.8
assi (( resid  48 and name HA))
     (( resid  48 and name HG2))
             3.8 0.94 0.94
! peak number d 1218  F1=  2.557  F2=  4.576   null   null  d=  3.6
assi (( resid  48 and name HA))
     (( resid  48 and name HG3))
             3.6 1.00 1.00
! peak number h 232  F1=  6.836  F2=  7.426   null   null  d=  1.9
assi (( resid  48 and name HE22))
     (( resid  48 and name HE21))
             1.9 0.46 0.46
! peak number h 692  F1=  7.438  F2=  2.533   null   null  d=  3.6
assi (( resid  48 and name HE22))
     (( resid  52 and name HG2))
             3.6 0.90 0.90
! peak number h 757  F1=  2.543  F2=  7.435   null   null  d=  3.4
assi (( resid  48 and name HE22))
     (( resid  52 and name HG2) or ( resid 48 and name HG3))
             3.4 0.85 0.85
! peak number h 462  F1=  7.414  F2=  2.171   null   null  d=  3.3
assi (( resid  48 and name HE22) or ( resid 23 and name HE*))
     (( resid  52 and name HB*) or ( resid 34 and name HG*))
             3.3 0.82 0.82
! peak number h 1076  F1=  7.407  F2=  1.273   null   null  d=  4.4
assi (( resid  48 and name HE22) or ( resid 23 and name HE*) or ( resid 19 and name HE22))
     (( resid  49 and name HG2*) or ( resid 18 and name HG2))
             4.4 1.10 1.10
! peak number h 36  F1=  9.413  F2=  4.977   null   null  d=  2.4
assi (( resid  48 and name HN))
     (( resid  47 and name HA))
             2.4 0.60 0.60
! peak number h 18  F1=  9.412  F2=  3.330   null   null  d=  3.1
assi (( resid  48 and name HN))
     (( resid  47 and name HB2))
             3.1 0.78 0.78
! peak number h 416  F1=  9.419  F2=  4.567   null   null  d=  3.0
assi (( resid  48 and name HN))
     (( resid  48 and name HA))
             3.0 0.75 0.75
! peak number h 791  F1=  9.410  F2=  2.644   null   null  d=  3.5
assi (( resid  48 and name HN))
     (( resid  48 and name HG2))
             3.5 0.89 0.89
! peak number h 423  F1=  9.413  F2=  2.564   null   null  d=  3.2
assi (( resid  48 and name HN))
     (( resid  48 and name HG3) or ( resid 47 and name HB3))
             3.2 0.80 0.80
! peak number h 26  F1=  9.413  F2=  7.330   null   null  d=  2.8
assi (( resid  48 and name HN))
     (( resid  49 and name HN))
             2.8 0.70 0.70
! peak number h 1059  F1=  2.126  F2=  9.408   null   null  d=  3.7
assi (( resid  48 and name HN))
     (( resid  52 and name HB*))
             3.7 0.93 0.93
! peak number h 333  F1=  2.352  F2=  9.410   null   null  d=  2.5
assi (( resid  48 and name HN))
     (( resid  52 and name HG3))
             2.5 0.62 0.62
! peak number h 24  F1=  9.415  F2=  2.345   null   null  d=  2.6
assi (( resid  48 and name HN))
     (( resid  52 and name HG3) or ( resid 48 and name HB3))
             2.6 0.65 0.65
! peak number d 45  F1=  4.820  F2=  1.280   null   null  d=  2.6
assi (( resid  49 and name HA))
     (( resid  49 and name HG2*))
             2.6 0.65 0.65
! peak number d 901  F1=  4.818  F2=  0.673   null   null  d=  4.0
assi (( resid  49 and name HA) or ( resid 35 and name HA))
     (( resid  50 and name HG2*) or ( resid 50 and name HB) or ( resid 36 and name HD2*))
             4.0 1.00 1.00
! peak number d 430  F1=  4.446  F2=  1.288   null   null  d=  2.3
assi (( resid  49 and name HB))
     (( resid  49 and name HG2*))
             2.3 0.57 0.57
! peak number d 906  F1=  4.446  F2=  0.679   null   null  d=  3.6
assi (( resid  49 and name HB))
     (( resid  50 and name HG2*) or ( resid 50 and name HB))
             3.6 0.90 0.90
! peak number h 485  F1=  7.333  F2=  3.331   null   null  d=  3.2
assi (( resid  49 and name HN))
     (( resid  47 and name HB2))
             3.2 0.81 0.81
! peak number h 804  F1=  7.335  F2=  2.561   null   null  d=  3.8
assi (( resid  49 and name HN))
     (( resid  48 and name HG3) or ( resid 47 and name HB3))
             3.8 0.95 0.95
! peak number h 161  F1=  7.335  F2=  2.156   null   null  d=  2.8
assi (( resid  49 and name HN))
     (( resid  52 and name HB*))
             2.8 0.70 0.70
! peak number h 146  F1=  7.322  F2=  1.287   null   null  d=  2.6
assi (( resid  49 and name HN) or ( resid 20 and name HE*))
     (( resid  49 and name HG2*) or ( resid 18 and name HG2))
             2.6 0.65 0.65
! peak number h 463  F1=  7.333  F2=  2.334   null   null  d=  3.3
assi (( resid  49 and name HN) or ( resid 35 and name HE*))
     (( resid  48 and name HB3) or ( resid 37 and name HB3))
             3.3 0.82 0.82
! peak number h 398  F1=  1.299  F2=  7.318   null   null  d=  2.6
assi (( resid  49 and name HN) or ( resid 35 and name HE*) or ( resid 20 and name HE*))
     (( resid  49 and name HG2*) or ( resid 46 and name HB3) or ( resid 18 and name HG2))
             2.6 0.65 0.65
! peak number d 444  F1=  4.036  F2=  3.234   null   null  d=  2.6
assi (( resid  5 and name HA))
     (( resid  5 and name HB2))
             2.6 0.65 0.65
! peak number d 445  F1=  4.032  F2=  3.355   null   null  d=  2.7
assi (( resid  5 and name HA))
     (( resid  5 and name HB3))
             2.7 0.68 0.68
! peak number d 1296  F1=  1.187  F2=  4.043   null   null  d=  3.9
assi (( resid  5 and name HA))
     (( resid  8 and name HB3))
             3.9 0.97 0.97
! peak number d 1014  F1=  4.030  F2=  1.004   null   null  d=  3.6
assi (( resid  5 and name HA))
     (( resid  8 and name HD*))
             3.6 0.90 0.90
! peak number d 1092  F1=  4.031  F2=  0.478   null   null  d=  4.7
assi (( resid  5 and name HA))
     (( resid  8 and name HG2))
             4.7 1.18 1.18
! peak number d 1395  F1=  4.275  F2=  7.514   null   null  d=  4.5
assi (( resid  5 and name HD1))
     (( resid  4 and name HA))
             4.5 1.14 1.14
! peak number d 1044  F1=  7.507  F2=  0.739   null   null  d=  4.7
assi (( resid  5 and name HD1))
     (( resid  4 and name HB2))
             4.7 1.18 1.18
! peak number d 1046  F1=  7.507  F2=  1.940   null   null  d=  4.8
assi (( resid  5 and name HD1))
     (( resid  4 and name HB3))
             4.8 1.20 1.20
! peak number d 1107  F1=  4.032  F2=  7.526   null   null  d=  3.3
assi (( resid  5 and name HD1))
     (( resid  5 and name HA))
             3.3 0.82 0.82
! peak number d 141  F1=  7.506  F2=  3.240   null   null  d=  3.2
assi (( resid  5 and name HD1))
     (( resid  5 and name HB2))
             3.2 0.79 0.79
! peak number d 137  F1=  7.506  F2=  3.367   null   null  d=  3.7
assi (( resid  5 and name HD1))
     (( resid  5 and name HB3))
             3.7 0.93 0.93
! peak number d 1058  F1=  6.186  F2=  7.530   null   null  d=  4.4
assi (( resid  5 and name HD1))
     (( resid  6 and name HD*))
             4.4 1.09 1.09
! peak number h 781  F1=  7.518  F2=  5.226   null   null  d=  4.4
assi (( resid  5 and name HD1))
     (( resid  6 and name HN))
             4.4 1.10 1.10
! peak number h 282  F1=  7.519  F2=  10.576   null   null  d=  2.7
assi (( resid  5 and name HE1))
     (( resid  5 and name HD1))
             2.7 0.68 0.68
! peak number h 2  F1=  10.581  F2=  7.615   null   null  d=  3.0
assi (( resid  5 and name HE1))
     (( resid  5 and name HZ2))
             3.0 0.74 0.74
! peak number h 421  F1=  6.205  F2=  10.584   null   null  d=  3.5
assi (( resid  5 and name HE1))
     (( resid  6 and name HD*))
             3.5 0.86 0.86
! peak number d 1294  F1=  7.433  F2=  1.016   null   null  d=  4.4
assi (( resid  5 and name HE3))
     (( resid  44 and name HB*))
             4.4 1.10 1.10
! peak number d 762  F1=  7.434  F2=  4.666   null   null  d=  3.5
assi (( resid  5 and name HE3))
     (( resid  45 and name HA))
             3.5 0.86 0.86
! peak number d 929  F1=  4.030  F2=  7.443   null   null  d=  4.3
assi (( resid  5 and name HE3))
     (( resid  5 and name HA))
             4.3 1.09 1.09
! peak number d 750  F1=  7.433  F2=  3.234   null   null  d=  3.5
assi (( resid  5 and name HE3))
     (( resid  5 and name HB2))
             3.5 0.87 0.87
! peak number d 136  F1=  7.433  F2=  3.363   null   null  d=  2.8
assi (( resid  5 and name HE3))
     (( resid  5 and name HB3))
             2.8 0.69 0.69
! peak number h 247  F1=  7.211  F2=  7.430   null   null  d=  2.2
assi (( resid  5 and name HE3))
     (( resid  5 and name HZ3))
             2.2 0.55 0.55
! peak number d 737  F1=  7.434  F2=  1.759   null   null  d=  3.4
assi (( resid  5 and name HE3))
     (( resid  56 and name HD3) or ( resid 3 and name HB3))
             3.4 0.85 0.85
! peak number d 1157  F1=  1.744  F2=  7.444   null   null  d=  3.2
assi (( resid  5 and name HE3))
     (( resid  56 and name HD3) or ( resid 56 and name HB*))
             3.2 0.80 0.80
! peak number d 165  F1=  7.433  F2=  3.637   null   null  d=  3.4
assi (( resid  5 and name HE3))
     (( resid  6 and name HA))
             3.4 0.84 0.84
! peak number d 1406  F1=  2.482  F2=  7.439   null   null  d=  4.8
assi (( resid  5 and name HE3))
     (( resid  6 and name HB2))
             4.8 1.19 1.19
! peak number d 178  F1=  7.434  F2=  6.199   null   null  d=  3.1
assi (( resid  5 and name HE3))
     (( resid  6 and name HD*))
             3.1 0.78 0.78
! peak number d 1293  F1=  1.008  F2=  7.439   null   null  d=  4.7
assi (( resid  5 and name HE3))
     (( resid  8 and name HD*) or ( resid 44 and name HB*))
             4.7 1.18 1.18
! peak number d 1397  F1=  4.495  F2=  7.442   null   null  d=  4.3
assi (( resid  5 and name HE3))
     (( resid  9 and name HA) or ( resid 7 and name HA))
             4.3 1.09 1.09
! peak number d 739  F1=  7.431  F2=  2.572   null   null  d=  3.4
assi (( resid  5 and name HE3))
     (( resid  9 and name HG3))
             3.4 0.85 0.85
! peak number d 970  F1=  0.866  F2=  7.423   null   null  d=  3.5
assi (( resid  5 and name HE3) or ( resid 23 and name HE*))
     (( resid  6 and name HB3) or ( resid 50 and name HG1*))
             3.5 0.88 0.88
! peak number h 1066  F1=  7.422  F2=  1.741   null   null  d=  3.6
assi (( resid  5 and name HE3) or ( resid 48 and name HE22))
     (( resid  56 and name HD3) or ( resid 56 and name HB*))
             3.6 0.90 0.90
! peak number d 808  F1=  1.014  F2=  7.325   null   null  d=  3.6
assi (( resid  5 and name HH2))
     (( resid  44 and name HB*))
             3.6 0.89 0.89
! peak number d 1291  F1=  7.321  F2=  0.870   null   null  d=  5.2
assi (( resid  5 and name HH2))
     (( resid  6 and name HB3))
             5.2 1.40 1.40
! peak number d 1238  F1=  7.319  F2=  2.570   null   null  d=  4.3
assi (( resid  5 and name HH2) or ( resid 35 and name HE*))
     (( resid  9 and name HG3) or ( resid 47 and name HB3))
             4.3 1.08 1.08
! peak number d 1240  F1=  7.336  F2=  2.199   null   null  d=  4.5
assi (( resid  5 and name HH2) or ( resid 35 and name HE*) or ( resid 27 and name HD1))
     (( resid  9 and name HB*) or ( resid 8 and name HE*) or ( resid 53 and name HA))
             4.5 1.20 1.20
! peak number h 100  F1=  8.242  F2=  4.281   null   null  d=  2.7
assi (( resid  5 and name HN))
     (( resid  4 and name HA))
             2.7 0.70 0.70
! peak number h 645  F1=  8.237  F2=  1.920   null   null  d=  3.6
assi (( resid  5 and name HN))
     (( resid  4 and name HB3))
             3.6 0.90 0.90
! peak number h 519  F1=  4.043  F2=  8.239   null   null  d=  3.1
assi (( resid  5 and name HN))
     (( resid  5 and name HA))
             3.1 0.77 0.77
! peak number h 342  F1=  3.242  F2=  8.234   null   null  d=  2.8
assi (( resid  5 and name HN))
     (( resid  5 and name HB2))
             2.8 0.70 0.70
! peak number h 525  F1=  3.369  F2=  8.229   null   null  d=  3.3
assi (( resid  5 and name HN))
     (( resid  5 and name HB3))
             3.3 0.82 0.82
! peak number h 263  F1=  7.516  F2=  8.234   null   null  d=  2.7
assi (( resid  5 and name HN))
     (( resid  5 and name HD1))
             2.7 0.68 0.68
! peak number h 437  F1=  8.235  F2=  5.219   null   null  d=  3.5
assi (( resid  5 and name HN))
     (( resid  6 and name HN))
             3.5 0.88 0.88
! peak number d 1162  F1=  1.011  F2=  7.619   null   null  d=  4.0
assi (( resid  5 and name HZ2))
     (( resid  44 and name HB*))
             4.0 1.00 1.00
! peak number h 252  F1=  7.318  F2=  7.614   null   null  d=  2.2
assi (( resid  5 and name HZ2))
     (( resid  5 and name HH2))
             2.2 0.55 0.55
! peak number d 1228  F1=  7.640  F2=  2.001   null   null  d=  3.6
assi (( resid  5 and name HZ2))
     (( resid  56 and name HD2))
             3.6 0.90 0.90
! peak number d 779  F1=  7.606  F2=  6.195   null   null  d=  4.0
assi (( resid  5 and name HZ2))
     (( resid  6 and name HD*))
             4.0 0.99 0.99
! peak number d 1163  F1=  1.015  F2=  7.223   null   null  d=  4.1
assi (( resid  5 and name HZ3))
     (( resid  44 and name HB*))
             4.1 1.02 1.02
! peak number d 1154  F1=  3.630  F2=  7.228   null   null  d=  3.8
assi (( resid  5 and name HZ3))
     (( resid  6 and name HA))
             3.8 0.94 0.94
! peak number d 1420  F1=  0.860  F2=  7.213   null   null  d=  4.5
assi (( resid  5 and name HZ3))
     (( resid  6 and name HB3))
             4.5 1.13 1.13
! peak number d 161  F1=  7.210  F2=  2.569   null   null  d=  3.0
assi (( resid  5 and name HZ3))
     (( resid  9 and name HG3))
             3.0 0.74 0.74
! peak number d 61  F1=  7.230  F2=  2.200   null   null  d=  3.2
assi (( resid  5 and name HZ3) or ( resid 27 and name HH2))
     (( resid  9 and name HB*) or ( resid 8 and name HE*) or ( resid 3 and name HG2))
             3.2 0.79 0.79
! peak number d 560  F1=  3.075  F2=  0.665   null   null  d=  2.5
assi (( resid  50 and name HA))
     (( resid  50 and name HB))
             2.5 0.62 0.62
! peak number d 561  F1=  3.073  F2=  0.778   null   null  d=  3.2
assi (( resid  50 and name HA))
     (( resid  50 and name HD1*))
             3.2 0.80 0.80
! peak number d 678  F1=  0.866  F2=  3.087   null   null  d=  2.5
assi (( resid  50 and name HA))
     (( resid  50 and name HG1*))
             2.5 0.62 0.62
! peak number h 767  F1=  8.252  F2=  6.787   null   null  d=  4.0
assi (( resid  50 and name HN))
     (( resid  23 and name HD*))
             4.0 1.00 1.00
! peak number h 211  F1=  8.246  F2=  7.414   null   null  d=  3.0
assi (( resid  50 and name HN))
     (( resid  23 and name HE*))
             3.0 0.76 0.76
! peak number h 434  F1=  8.258  F2=  4.820   null   null  d=  2.3
assi (( resid  50 and name HN))
     (( resid  49 and name HA))
             2.3 0.57 0.57
! peak number h 105  F1=  8.247  F2=  4.447   null   null  d=  2.3
assi (( resid  50 and name HN))
     (( resid  49 and name HB))
             2.3 0.57 0.57
! peak number h 644  F1=  8.252  F2=  1.276   null   null  d=  3.4
assi (( resid  50 and name HN))
     (( resid  49 and name HG2*))
             3.4 0.85 0.85
! peak number h 93  F1=  8.258  F2=  3.078   null   null  d=  3.0
assi (( resid  50 and name HN))
     (( resid  50 and name HA))
             3.0 0.75 0.75
! peak number h 60  F1=  8.264  F2=  0.655   null   null  d=  2.3
assi (( resid  50 and name HN))
     (( resid  50 and name HG2*) or ( resid 50 and name HB))
             2.3 0.57 0.57
! peak number d 1096  F1=  3.766  F2=  0.679   null   null  d=  4.4
assi (( resid  51 and name HA1))
     (( resid  50 and name HG2*))
             4.4 1.10 1.10
! peak number d 505  F1=  3.595  F2=  3.791   null   null  d=  1.9
assi (( resid  51 and name HA1))
     (( resid  51 and name HA2))
             1.9 0.46 0.46
! peak number d 1379  F1=  1.700  F2=  3.783   null   null  d=  3.8
assi (( resid  51 and name HA1))
     (( resid  54 and name HB*))
             3.8 0.95 0.95
! peak number d 1010  F1=  3.804  F2=  2.582   null   null  d=  3.4
assi (( resid  51 and name HA1) or ( resid 10 and name HD2))
     (( resid  9 and name HG3) or ( resid 32 and name HB3))
             3.4 0.85 0.85
! peak number d 1199  F1=  3.080  F2=  3.596   null   null  d=  3.2
assi (( resid  51 and name HA2))
     (( resid  54 and name HD2) or ( resid 50 and name HA))
             3.2 0.80 0.80
! peak number h 797  F1=  8.218  F2=  3.075   null   null  d=  3.5
assi (( resid  51 and name HN))
     (( resid  50 and name HA))
             3.5 0.88 0.88
! peak number h 63  F1=  8.210  F2=  0.654   null   null  d=  2.7
assi (( resid  51 and name HN))
     (( resid  50 and name HG2*))
             2.7 0.68 0.68
! peak number h 321  F1=  3.793  F2=  8.219   null   null  d=  2.5
assi (( resid  51 and name HN))
     (( resid  51 and name HA1))
             2.5 0.64 0.64
! peak number h 523  F1=  3.610  F2=  8.223   null   null  d=  2.9
assi (( resid  51 and name HN))
     (( resid  51 and name HA2))
             2.9 0.72 0.72
! peak number h 207  F1=  8.216  F2=  7.664   null   null  d=  2.8
assi (( resid  51 and name HN))
     (( resid  52 and name HN))
             2.8 0.71 0.71
! peak number h 623  F1=  6.783  F2=  8.245   null   null  d=  3.9
assi (( resid  51 and name HN) or ( resid 50 and name HN))
     (( resid  23 and name HD*))
             3.9 0.97 0.97
! peak number h 341  F1=  3.077  F2=  8.240   null   null  d=  2.9
assi (( resid  51 and name HN) or ( resid 50 and name HN))
     (( resid  50 and name HA))
             2.9 0.72 0.72
! peak number h 1051  F1=  0.859  F2=  8.231   null   null  d=  3.8
assi (( resid  51 and name HN) or ( resid 50 and name HN))
     (( resid  50 and name HG1*))
             3.8 0.94 0.94
! peak number h 389  F1=  0.669  F2=  8.232   null   null  d=  2.2
assi (( resid  51 and name HN) or ( resid 50 and name HN))
     (( resid  50 and name HG2*) or ( resid 50 and name HB))
             2.2 0.55 0.55
! peak number d 534  F1=  2.139  F2=  3.988   null   null  d=  2.6
assi (( resid  52 and name HA))
     (( resid  52 and name HB*))
             2.6 0.80 0.80
! peak number d 449  F1=  3.988  F2=  2.523   null   null  d=  3.1
assi (( resid  52 and name HA))
     (( resid  52 and name HG2))
             3.1 0.79 0.79
! peak number d 452  F1=  3.991  F2=  2.338   null   null  d=  3.2
assi (( resid  52 and name HA))
     (( resid  52 and name HG3))
             3.2 0.80 0.80
! peak number d 423  F1=  3.988  F2=  1.790   null   null  d=  2.7
assi (( resid  52 and name HA))
     (( resid  55 and name HB*))
             2.7 0.69 0.69
! peak number d 1304  F1=  1.532  F2=  4.015   null   null  d=  3.4
assi (( resid  52 and name HA) or ( resid 21 and name HB3))
     (( resid  55 and name HD*) or ( resid 36 and name HG))
             3.4 0.85 0.85
! peak number d 461  F1=  3.972  F2=  2.155   null   null  d=  2.1
assi (( resid  52 and name HA) or ( resid 34 and name HD2))
     (( resid  52 and name HB*) or ( resid 34 and name HG*))
             2.1 0.53 0.53
! peak number h 442  F1=  7.668  F2=  3.783   null   null  d=  3.2
assi (( resid  52 and name HN))
     (( resid  51 and name HA1))
             3.2 0.80 0.80
! peak number h 133  F1=  7.669  F2=  3.980   null   null  d=  3.2
assi (( resid  52 and name HN))
     (( resid  52 and name HA))
             3.2 0.81 0.81
! peak number h 376  F1=  2.146  F2=  7.668   null   null  d=  2.5
assi (( resid  52 and name HN))
     (( resid  52 and name HB*))
             2.5 0.61 0.61
! peak number h 935  F1=  2.336  F2=  7.693   null   null  d=  3.4
assi (( resid  52 and name HN) or ( resid 11 and name HN))
     (( resid  52 and name HG3) or ( resid 10 and name HB*))
             3.4 0.85 0.85
! peak number d 1206  F1=  2.720  F2=  3.194   null   null  d=  2.6
assi (( resid  53 and name HB2))
     (( resid  23 and name HB3))
             2.6 0.65 0.65
! peak number d 823  F1=  3.179  F2=  2.597   null   null  d=  2.4
assi (( resid  53 and name HB2))
     (( resid  32 and name HB3))
             2.4 0.60 0.60
! peak number d 585  F1=  2.587  F2=  3.195   null   null  d=  2.5
assi (( resid  53 and name HB2))
     (( resid  47 and name HB3) or ( resid 32 and name HB3))
             2.5 0.62 0.62
! peak number d 1341  F1=  0.871  F2=  3.190   null   null  d=  3.6
assi (( resid  53 and name HB2) or ( resid 25 and name HB3))
     (( resid  6 and name HB3) or ( resid 50 and name HG1*))
             3.6 0.90 0.90
! peak number d 582  F1=  2.191  F2=  3.016   null   null  d=  2.5
assi (( resid  53 and name HB3))
     (( resid  53 and name HA))
             2.5 0.62 0.62
! peak number h 697  F1=  6.878  F2=  3.333   null   null  d=  3.6
assi (( resid  53 and name HN))
     (( resid  47 and name HB2))
             3.6 0.90 0.90
! peak number h 819  F1=  6.876  F2=  2.569   null   null  d=  4.0
assi (( resid  53 and name HN))
     (( resid  47 and name HB3) or ( resid 32 and name HB3))
             4.0 1.00 1.00
! peak number h 174  F1=  6.871  F2=  3.080   null   null  d=  3.5
assi (( resid  53 and name HN))
     (( resid  50 and name HA))
             3.5 0.86 0.86
! peak number h 812  F1=  6.879  F2=  3.990   null   null  d=  4.3
assi (( resid  53 and name HN))
     (( resid  52 and name HA))
             4.3 1.07 1.07
! peak number h 167  F1=  6.874  F2=  2.159   null   null  d=  2.7
assi (( resid  53 and name HN))
     (( resid  52 and name HB*))
             2.7 0.68 0.68
! peak number h 173  F1=  6.876  F2=  3.175   null   null  d=  2.7
assi (( resid  53 and name HN))
     (( resid  53 and name HB2))
             2.7 0.69 0.69
! peak number h 176  F1=  6.875  F2=  2.989   null   null  d=  2.9
assi (( resid  53 and name HN))
     (( resid  53 and name HB3))
             2.9 0.71 0.71
! peak number h 373  F1=  2.173  F2=  6.886   null   null  d=  2.7
assi (( resid  53 and name HN) or ( resid 2 and name HE22))
     (( resid  53 and name HA) or ( resid 52 and name HB*) or ( resid 2 and name HG*))
             2.7 0.68 0.68
! peak number d 609  F1=  1.989  F2=  3.578   null   null  d=  2.9
assi (( resid  54 and name HA))
     (( resid  58 and name HB*))
             2.9 0.72 0.72
! peak number d 479  F1=  3.565  F2=  0.996   null   null  d=  3.0
assi (( resid  54 and name HA))
     (( resid  58 and name HD2*))
             3.0 0.74 0.74
! peak number d 613  F1=  1.432  F2=  3.575   null   null  d=  3.3
assi (( resid  54 and name HA))
     (( resid  58 and name HG))
             3.3 0.82 0.82
! peak number d 612  F1=  1.508  F2=  3.570   null   null  d=  2.8
assi (( resid  54 and name HA))
     (( resid  60 and name HD*))
             2.8 0.70 0.70
! peak number d 874  F1=  1.680  F2=  2.985   null   null  d=  2.6
assi (( resid  54 and name HD3))
     (( resid  54 and name HB*))
             2.6 0.65 0.65
! peak number d 626  F1=  1.505  F2=  2.991   null   null  d=  2.5
assi (( resid  54 and name HD3))
     (( resid  54 and name HG*))
             2.5 0.62 0.62
! peak number h 490  F1=  7.342  F2=  3.083   null   null  d=  4.2
assi (( resid  54 and name HE))
     (( resid  54 and name HD2))
             4.2 1.30 1.30
! peak number h 120  F1=  7.343  F2=  2.994   null   null  d=  3.2
assi (( resid  54 and name HE))
     (( resid  54 and name HD3) or ( resid 53 and name HB3))
             3.2 0.79 0.79
! peak number h 601  F1=  7.341  F2=  1.479   null   null  d=  3.6
assi (( resid  54 and name HE))
     (( resid  60 and name HD*) or ( resid 54 and name HG*))
             3.6 0.91 0.91
! peak number h 595  F1=  7.324  F2=  3.549   null   null  d=  3.7
assi (( resid  54 and name HE) or ( resid 35 and name HE*))
     (( resid  54 and name HA) or ( resid 22 and name HB2))
             3.7 0.93 0.93
! peak number h 694  F1=  7.339  F2=  1.812   null   null  d=  3.6
assi (( resid  54 and name HE) or ( resid 35 and name HE*))
     (( resid  55 and name HB*) or ( resid 12 and name HB2))
             3.6 0.90 0.90
! peak number h 124  F1=  7.322  F2=  2.843   null   null  d=  2.6
assi (( resid  54 and name HE) or ( resid 35 and name HE*))
     (( resid  60 and name HE3) or ( resid 24 and name HB*))
             2.6 0.65 0.65
! peak number h 367  F1=  2.832  F2=  7.322   null   null  d=  2.6
assi (( resid  54 and name HE) or ( resid 35 and name HE*))
     (( resid  60 and name HE3) or ( resid 37 and name HB2) or ( resid 24 and name HB*))
             2.6 0.65 0.65
! peak number h 653  F1=  8.473  F2=  2.190   null   null  d=  3.8
assi (( resid  54 and name HN))
     (( resid  53 and name HA))
             3.8 0.95 0.95
! peak number h 343  F1=  3.174  F2=  8.468   null   null  d=  2.7
assi (( resid  54 and name HN))
     (( resid  53 and name HB2))
             2.7 0.66 0.66
! peak number h 217  F1=  8.474  F2=  6.873   null   null  d=  3.0
assi (( resid  54 and name HN))
     (( resid  53 and name HN))
             3.0 0.74 0.74
! peak number h 381  F1=  1.691  F2=  8.471   null   null  d=  2.7
assi (( resid  54 and name HN))
     (( resid  54 and name HB*))
             2.7 0.68 0.68
! peak number h 639  F1=  8.472  F2=  3.076   null   null  d=  3.7
assi (( resid  54 and name HN))
     (( resid  54 and name HD2) or ( resid 50 and name HA))
             3.7 0.93 0.93
! peak number h 638  F1=  8.482  F2=  3.002   null   null  d=  3.1
assi (( resid  54 and name HN))
     (( resid  54 and name HD3) or ( resid 53 and name HB3))
             3.1 0.78 0.78
! peak number h 224  F1=  8.081  F2=  8.471   null   null  d=  2.6
assi (( resid  54 and name HN))
     (( resid  55 and name HN))
             2.6 0.65 0.65
! peak number h 325  F1=  3.568  F2=  8.482   null   null  d=  2.7
assi (( resid  54 and name HN) or ( resid 22 and name HN))
     (( resid  54 and name HA) or ( resid 22 and name HB2))
             2.7 0.68 0.68
! peak number h 453  F1=  8.478  F2=  1.497   null   null  d=  2.9
assi (( resid  54 and name HN) or ( resid 22 and name HN))
     (( resid  54 and name HG*) or ( resid 36 and name HG))
             2.9 0.72 0.72
! peak number h 749  F1=  2.208  F2=  8.454   null   null  d=  3.3
assi (( resid  54 and name HN) or ( resid 43 and name HD22))
     (( resid  9 and name HB*) or ( resid 53 and name HA))
             3.3 0.82 0.82
! peak number d 427  F1=  3.883  F2=  1.780   null   null  d=  2.4
assi (( resid  55 and name HA))
     (( resid  55 and name HB*))
             2.4 0.60 0.60
! peak number d 1011  F1=  3.878  F2=  3.028   null   null  d=  3.4
assi (( resid  55 and name HA))
     (( resid  59 and name HA1))
             3.4 0.85 0.85
! peak number d 422  F1=  3.880  F2=  1.321   null   null  d=  3.2
assi (( resid  55 and name HA))
     (( resid  60 and name HB3) or ( resid 55 and name HG*))
             3.2 0.79 0.79
! peak number d 1005  F1=  1.980  F2=  3.876   null   null  d=  3.7
assi (( resid  55 and name HA) or ( resid 34 and name HD3))
     (( resid  58 and name HB*) or ( resid 34 and name HB2))
             3.7 0.93 0.93
! peak number d 1007  F1=  1.543  F2=  2.892   null   null  d=  2.5
assi (( resid  55 and name HE*) or ( resid 26 and name HE3))
     (( resid  55 and name HD*) or ( resid 26 and name HD*))
             2.5 0.64 0.64
! peak number h 481  F1=  8.078  F2=  3.983   null   null  d=  3.5
assi (( resid  55 and name HN))
     (( resid  52 and name HA))
             3.5 0.88 0.88
! peak number h 655  F1=  8.079  F2=  3.574   null   null  d=  3.8
assi (( resid  55 and name HN))
     (( resid  54 and name HA))
             3.8 0.95 0.95
! peak number h 774  F1=  7.344  F2=  8.070   null   null  d=  3.9
assi (( resid  55 and name HN))
     (( resid  54 and name HE))
             3.9 0.97 0.97
! peak number h 380  F1=  1.788  F2=  8.076   null   null  d=  2.3
assi (( resid  55 and name HN))
     (( resid  55 and name HB*))
             2.3 0.59 0.59
! peak number h 64  F1=  8.073  F2=  1.681   null   null  d=  3.1
assi (( resid  55 and name HN))
     (( resid  60 and name HB2) or ( resid 54 and name HB*))
             3.1 0.79 0.79
! peak number h 841  F1=  8.079  F2=  1.314   null   null  d=  3.8
assi (( resid  55 and name HN))
     (( resid  60 and name HB3) or ( resid 55 and name HG*))
             3.8 0.95 0.95
! peak number h 318  F1=  3.884  F2=  8.078   null   null  d=  3.0
assi (( resid  55 and name HN) or ( resid 28 and name HN))
     (( resid  55 and name HA) or ( resid 27 and name HB3))
             3.0 0.75 0.75
! peak number h 842  F1=  8.105  F2=  1.548   null   null  d=  4.3
assi (( resid  55 and name HN) or ( resid 28 and name HN))
     (( resid  55 and name HD*) or ( resid 26 and name HD*))
             4.3 1.80 1.80
! peak number d 872  F1=  1.996  F2=  4.152   null   null  d=  3.6
assi (( resid  56 and name HA))
     (( resid  56 and name HD2))
             3.6 0.90 0.90
! peak number d 393  F1=  4.147  F2=  2.052   null   null  d=  2.4
assi (( resid  56 and name HA))
     (( resid  56 and name HG2))
             2.4 0.60 0.60
! peak number d 395  F1=  4.150  F2=  1.571   null   null  d=  2.6
assi (( resid  56 and name HA))
     (( resid  56 and name HG3))
             2.6 0.65 0.65
! peak number d 1378  F1=  2.515  F2=  3.108   null   null  d=  2.9
assi (( resid  56 and name HE*))
     (( resid  52 and name HG2))
             2.9 0.72 0.72
! peak number d 1370  F1=  3.093  F2=  2.340   null   null  d=  3.4
assi (( resid  56 and name HE*))
     (( resid  52 and name HG3))
             3.4 0.85 0.85
! peak number d 605  F1=  2.006  F2=  3.098   null   null  d=  3.0
assi (( resid  56 and name HE*))
     (( resid  56 and name HD2))
             3.0 0.75 0.75
! peak number d 624  F1=  1.772  F2=  3.098   null   null  d=  2.2
assi (( resid  56 and name HE*))
     (( resid  56 and name HD3))
             2.2 0.55 0.55
! peak number h 1101  F1=  7.929  F2=  3.558   null   null  d=  3.7
assi (( resid  56 and name HN))
     (( resid  54 and name HA))
             3.7 0.93 0.93
! peak number h 654  F1=  7.948  F2=  3.877   null   null  d=  3.4
assi (( resid  56 and name HN) or ( resid 45 and name HD22))
     (( resid  55 and name HA) or ( resid 11 and name HA))
             3.4 0.85 0.85
! peak number h 418  F1=  7.962  F2=  6.930   null   null  d=  3.5
assi (( resid  45 and name HD22))
     (( resid  24 and name HD*))
             3.5 0.3 0.3
! peak number h 1098  F1=  2.537  F2=  7.967   null   null  d=  5.1
assi (( resid  56 and name HN) or ( resid 47 and name HE*))
     (( resid  52 and name HG2))
             5.1 1.27 1.27
! peak number h 52  F1=  7.938  F2=  1.742   null   null  d=  2.2
assi (( resid  56 and name HN) or ( resid 47 and name HE*))
     (( resid  56 and name HD3) or ( resid 56 and name HB*))
             2.2 0.55 0.55
! peak number d 856  F1=  4.099  F2=  4.937   null   null  d=  3.3
assi (( resid  57 and name HA))
     (( resid  3 and name HA))
             3.3 0.82 0.82
! peak number d 326  F1=  3.887  F2=  4.932   null   null  d=  2.7
assi (( resid  57 and name HA))
     (( resid  4 and name HD2))
             2.7 0.68 0.68
! peak number d 1061  F1=  4.931  F2=  3.691   null   null  d=  3.7
assi (( resid  57 and name HA))
     (( resid  4 and name HD3))
             3.7 0.93 0.93
! peak number d 1069  F1=  4.926  F2=  1.779   null   null  d=  3.3
assi (( resid  57 and name HA))
     (( resid  56 and name HD3) or ( resid 3 and name HB3))
             3.3 0.84 0.84
! peak number d 368  F1=  1.185  F2=  4.937   null   null  d=  2.7
assi (( resid  57 and name HA))
     (( resid  57 and name HB3))
             2.7 0.66 0.66
! peak number d 37  F1=  4.928  F2=  2.485   null   null  d=  3.2
assi (( resid  57 and name HA))
     (( resid  6 and name HB2) or ( resid 3 and name HB2))
             3.2 0.80 0.80
! peak number d 346  F1=  1.864  F2=  4.926   null   null  d=  2.5
assi (( resid  57 and name HA) or ( resid 34 and name HA))
     (( resid  57 and name HB2) or ( resid 34 and name HB3))
             2.5 0.62 0.62
! peak number h 378  F1=  1.864  F2=  7.926   null   null  d=  2.6
assi (( resid  57 and name HN))
     (( resid  57 and name HB2))
             2.6 0.65 0.65
! peak number h 657  F1=  7.924  F2=  1.186   null   null  d=  4.0
assi (( resid  57 and name HN))
     (( resid  57 and name HB3))
             4.0 1.10 1.10
! peak number h 608  F1=  7.924  F2=  7.648   null   null  d=  2.3
assi (( resid  57 and name HN))
     (( resid  58 and name HN))
             2.3 0.59 0.59
! peak number h 77  F1=  7.942  F2=  4.149   null   null  d=  2.9
assi (( resid  57 and name HN) or ( resid 56 and name HN))
     (( resid  56 and name HA))
             2.9 0.72 0.72
! peak number h 556  F1=  2.079  F2=  7.934   null   null  d=  3.2
assi (( resid  57 and name HN) or ( resid 56 and name HN))
     (( resid  56 and name HG2))
             3.2 0.80 0.80
! peak number h 625  F1=  6.984  F2=  7.926   null   null  d=  3.6
assi (( resid  57 and name HN) or ( resid 56 and name HN))
     (( resid  59 and name HN))
             3.6 0.90 0.90
! peak number h 459  F1=  7.937  F2=  2.073   null   null  d=  3.1
assi (( resid  57 and name HN) or ( resid 56 and name HN) or ( resid 47 and name HE*))
     (( resid  56 and name HG2))
             3.1 0.78 0.78
! peak number d 341  F1=  1.992  F2=  4.550   null   null  d=  3.2
assi (( resid  58 and name HA))
     (( resid  58 and name HB*))
             3.2 0.90 0.90
! peak number d 1083  F1=  4.541  F2=  1.213   null   null  d=  3.3
assi (( resid  58 and name HA) or ( resid 26 and name HA))
     (( resid  57 and name HB3) or ( resid 33 and name HB3) or ( resid 30 and name HG3) or ( resid 29 and name HB*))
             3.3 0.82 0.82
! peak number d 1389  F1=  4.551  F2=  3.561   null   null  d=  3.4
assi (( resid  58 and name HA) or ( resid 36 and name HA))
     (( resid  54 and name HA) or ( resid 22 and name HB2))
             3.4 0.85 0.85
! peak number d 380  F1=  4.526  F2=  0.956   null   null  d=  2.5
assi (( resid  58 and name HA) or ( resid 36 and name HA))
     (( resid  58 and name HD1*) or ( resid 36 and name HB3))
             2.5 0.62 0.62
! peak number d 405  F1=  4.544  F2=  1.419   null   null  d=  2.1
assi (( resid  58 and name HA) or ( resid 39 and name HA1))
     (( resid  58 and name HG) or ( resid 17 and name HG3))
             2.1 0.53 0.53
! peak number d 1084  F1=  4.541  F2=  1.292   null   null  d=  3.0
assi (( resid  58 and name HA) or ( resid 39 and name HA1) or ( resid 26 and name HA))
     (( resid  33 and name HG) or ( resid 30 and name HG2) or ( resid 18 and name HG2) or ( resid 17 and name HG2))
             3.0 0.75 0.75
! peak number d 1191  F1=  1.279  F2=  4.567   null   null  d=  3.1
assi (( resid  58 and name HA) or ( resid 48 and name HA) or ( resid 26 and name HA))
     (( resid  49 and name HG2*) or ( resid 33 and name HG) or ( resid 30 and name HG2))
             3.1 0.78 0.78
! peak number d 714  F1=  0.984  F2=  2.006   null   null  d=  2.5
assi (( resid  58 and name HB*))
     (( resid  58 and name HD2*) or ( resid 58 and name HD1*))
             2.5 0.62 0.62
! peak number d 895  F1=  0.988  F2=  1.446   null   null  d=  2.1
assi (( resid  58 and name HG))
     (( resid  58 and name HD2*) or ( resid 58 and name HD1*))
             2.1 0.53 0.53
! peak number h 863  F1=  7.660  F2=  1.851   null   null  d=  4.1
assi (( resid  58 and name HN))
     (( resid  57 and name HB2))
             4.1 1.02 1.02
! peak number h 377  F1=  1.999  F2=  7.650   null   null  d=  2.7
assi (( resid  58 and name HN))
     (( resid  58 and name HB*))
             2.7 0.69 0.69
! peak number h 470  F1=  7.652  F2=  1.437   null   null  d=  3.0
assi (( resid  58 and name HN))
     (( resid  58 and name HG))
             3.0 0.75 0.75
! peak number h 240  F1=  7.658  F2=  6.984   null   null  d=  2.3
assi (( resid  58 and name HN))
     (( resid  59 and name HN))
             2.3 0.56 0.56
! peak number h 483  F1=  7.657  F2=  3.583   null   null  d=  3.3
assi (( resid  58 and name HN) or ( resid 52 and name HN))
     (( resid  54 and name HA) or ( resid 51 and name HA2))
             3.3 0.82 0.82
! peak number d 578  F1=  2.465  F2=  3.025   null   null  d=  1.9
assi (( resid  59 and name HA1))
     (( resid  59 and name HA2))
             1.9 0.47 0.47
! peak number h 962  F1=  3.877  F2=  6.991   null   null  d=  3.6
assi (( resid  59 and name HN))
     (( resid  55 and name HA))
             3.6 0.90 0.90
! peak number h 175  F1=  6.983  F2=  3.031   null   null  d=  2.6
assi (( resid  59 and name HN))
     (( resid  59 and name HA1))
             2.6 0.65 0.65
! peak number h 154  F1=  7.012  F2=  1.058   null   null  d=  2.6
assi (( resid  59 and name HN))
     (( resid  60 and name HG*))
             2.6 0.65 0.65
! peak number h 172  F1=  7.009  F2=  3.233   null   null  d=  2.6
assi (( resid  59 and name HN) or ( resid 25 and name HE1))
     (( resid  30 and name HA) or ( resid 1 and name HB3))
             2.6 0.65 0.65
! peak number h 602  F1=  7.011  F2=  1.185   null   null  d=  3.3
assi (( resid  59 and name HN) or ( resid 25 and name HE1))
     (( resid  57 and name HB3) or ( resid 30 and name HG3))
             3.3 0.82 0.82
! peak number h 480  F1=  6.989  F2=  2.008   null   null  d=  3.3
assi (( resid  59 and name HN) or ( resid 27 and name HZ3))
     (( resid  58 and name HB*) or ( resid 3 and name HG3))
             3.3 0.84 0.84
! peak number h 165  F1=  6.984  F2=  2.493   null   null  d=  3.0
assi (( resid  59 and name HN) or ( resid 27 and name HZ3))
     (( resid  59 and name HA2) or ( resid 3 and name HB2))
             3.0 0.74 0.74
! peak number h 821  F1=  6.988  F2=  2.893   null   null  d=  3.5
assi (( resid  59 and name HN) or ( resid 37 and name HD*) or ( resid 27 and name HZ3))
     (( resid  7 and name HB3) or ( resid 60 and name HE2) or ( resid 20 and name HB3))
             3.5 0.88 0.88
! peak number d 1180  F1=  1.016  F2=  3.642   null   null  d=  4.4
assi (( resid  6 and name HA))
     (( resid  44 and name HB*))
             4.4 1.10 1.10
! peak number d 521  F1=  2.475  F2=  3.641   null   null  d=  2.5
assi (( resid  6 and name HA))
     (( resid  6 and name HB2))
             2.5 0.62 0.62
! peak number d 481  F1=  3.631  F2=  0.876   null   null  d=  2.4
assi (( resid  6 and name HA))
     (( resid  6 and name HB3))
             2.4 0.60 0.60
! peak number d 686  F1=  0.864  F2=  2.478   null   null  d=  1.9
assi (( resid  6 and name HB2))
     (( resid  6 and name HB3))
             1.9 0.47 0.47
! peak number d 1155  F1=  0.729  F2=  6.198   null   null  d=  3.5
assi (( resid  6 and name HD*))
     (( resid  4 and name HB2))
             3.5 0.88 0.88
! peak number d 1416  F1=  6.183  F2=  1.932   null   null  d=  4.3
assi (( resid  6 and name HD*))
     (( resid  4 and name HB3))
             4.3 1.09 1.09
! peak number d 273  F1=  2.480  F2=  6.195   null   null  d=  2.9
assi (( resid  6 and name HD*))
     (( resid  6 and name HB2))
             2.9 0.79 0.79
! peak number d 318  F1=  0.865  F2=  6.193   null   null  d=  2.5
assi (( resid  6 and name HD*))
     (( resid  6 and name HB3))
             2.5 0.63 0.63
! peak number h 200  F1=  6.196  F2=  5.230   null   null  d=  3.4
assi (( resid  6 and name HD*))
     (( resid  6 and name HN))
             3.4 0.85 0.85
! peak number d 1049  F1=  6.779  F2=  1.031   null   null  d=  4.8
assi (( resid  6 and name HE*))
     (( resid  44 and name HB*))
             4.8 1.50 1.50
! peak number h 1072  F1=  1.730  F2=  6.779   null   null  d=  4.8
assi (( resid  6 and name HE*))
     (( resid  56 and name HB*))
             4.8 1.20 1.20
! peak number d 747  F1=  6.781  F2=  1.755   null   null  d=  3.5
assi (( resid  6 and name HE*))
     (( resid  56 and name HD3))
             3.5 0.87 0.87
! peak number d 292  F1=  2.072  F2=  6.791   null   null  d=  3.1
assi (( resid  6 and name HE*))
     (( resid  56 and name HG2))
             3.1 0.76 0.76
! peak number d 72  F1=  6.783  F2=  1.592   null   null  d=  3.8
assi (( resid  6 and name HE*))
     (( resid  56 and name HG3) or ( resid 4 and name HG3))
             3.8 0.94 0.94
! peak number d 1041  F1=  6.780  F2=  2.491   null   null  d=  4.1
assi (( resid  6 and name HE*))
     (( resid  6 and name HB2))
             4.1 1.02 1.02
! peak number d 187  F1=  6.783  F2=  6.199   null   null  d=  2.3
assi (( resid  6 and name HE*))
     (( resid  6 and name HD*))
             2.3 0.57 0.57
! peak number d 1037  F1=  6.785  F2=  3.881   null   null  d=  4.6
assi (( resid  6 and name HE*) or ( resid 23 and name HD*))
     (( resid  4 and name HD2) or ( resid 34 and name HD3) or ( resid 21 and name HB2))
             4.6 1.15 1.15
! peak number d 804  F1=  0.873  F2=  6.798   null   null  d=  3.4
assi (( resid  6 and name HE*) or ( resid 23 and name HD*))
     (( resid  6 and name HB3) or ( resid 50 and name HG1*))
             3.4 0.84 0.84
! peak number h 887  F1=  0.723  F2=  5.228   null   null  d=  3.6
assi (( resid  6 and name HN))
     (( resid  4 and name HB2))
             3.6 0.90 0.90
! peak number h 586  F1=  0.876  F2=  5.225   null   null  d=  3.3
assi (( resid  6 and name HN))
     (( resid  6 and name HB3))
             3.3 0.82 0.82
! peak number d 424  F1=  4.008  F2=  1.681   null   null  d=  3.0
assi (( resid  60 and name HA))
     (( resid  60 and name HB2))
             3.0 0.76 0.76
! peak number d 421  F1=  4.006  F2=  1.310   null   null  d=  3.4
assi (( resid  60 and name HA))
     (( resid  60 and name HB3))
             3.4 0.85 0.85
! peak number d 1305  F1=  1.491  F2=  4.017   null   null  d=  4.2
assi (( resid  60 and name HA))
     (( resid  60 and name HD*))
             4.2 1.05 1.05
! peak number d 1003  F1=  4.008  F2=  1.092   null   null  d=  3.7
assi (( resid  60 and name HA))
     (( resid  60 and name HG*))
             3.7 0.93 0.93
! peak number d 1361  F1=  1.461  F2=  2.831   null   null  d=  3.4
assi (( resid  60 and name HE3))
     (( resid  54 and name HG*))
             3.4 0.85 0.85
! peak number h 192  F1=  6.922  F2=  3.881   null   null  d=  2.9
assi (( resid  60 and name HN))
     (( resid  55 and name HA))
             2.9 0.72 0.72
! peak number h 933  F1=  1.987  F2=  6.913   null   null  d=  3.5
assi (( resid  60 and name HN))
     (( resid  58 and name HB*))
             3.5 0.88 0.88
! peak number h 495  F1=  6.918  F2=  3.023   null   null  d=  3.3
assi (( resid  60 and name HN))
     (( resid  59 and name HA1))
             3.3 0.82 0.82
! peak number h 500  F1=  6.915  F2=  4.012   null   null  d=  3.7
assi (( resid  60 and name HN))
     (( resid  60 and name HA))
             3.7 0.93 0.93
! peak number h 852  F1=  6.922  F2=  1.078   null   null  d=  3.3
assi (( resid  60 and name HN))
     (( resid  60 and name HG*))
             3.3 0.82 0.82
! peak number h 859  F1=  6.918  F2=  1.996   null   null  d=  3.5
assi (( resid  60 and name HN) or ( resid 1 and name HH2))
     (( resid  58 and name HB*) or ( resid 3 and name HG3))
             3.5 0.88 0.88
! peak number h 977  F1=  2.898  F2=  6.939   null   null  d=  3.8
assi (( resid  60 and name HN) or ( resid 1 and name HH2))
     (( resid  7 and name HB3) or ( resid 60 and name HE2))
             3.8 0.95 0.95
! peak number h 478  F1=  6.920  F2=  2.483   null   null  d=  3.0
assi (( resid  60 and name HN) or ( resid 1 and name HZ3) or ( resid 1 and name HH2))
     (( resid  59 and name HA2) or ( resid 30 and name HE3) or ( resid 3 and name HB2))
             3.0 0.75 0.75
! peak number h 181  F1=  6.937  F2=  2.838   null   null  d=  2.3
assi (( resid  60 and name HN) or ( resid 24 and name HD*))
     (( resid  60 and name HE3) or ( resid 24 and name HB*))
             2.3 0.57 0.57
! peak number h 145  F1=  6.945  F2=  1.317   null   null  d=  2.7
assi (( resid  60 and name HN) or ( resid 35 and name HZ))
     (( resid  60 and name HB3) or ( resid 46 and name HB3))
             2.7 0.68 0.68
! peak number d 1076  F1=  4.499  F2=  3.190   null   null  d=  3.2
assi (( resid  7 and name HA))
     (( resid  25 and name HB3))
             3.2 0.80 0.80
! peak number d 439  F1=  4.498  F2=  3.302   null   null  d=  2.7
assi (( resid  7 and name HA))
     (( resid  7 and name HB2))
             2.7 0.67 0.67
! peak number d 434  F1=  4.499  F2=  2.901   null   null  d=  2.7
assi (( resid  7 and name HA))
     (( resid  7 and name HB3))
             2.7 0.69 0.69
! peak number d 987  F1=  1.184  F2=  3.313   null   null  d=  3.5
assi (( resid  7 and name HB2))
     (( resid  57 and name HB3))
             3.5 0.88 0.88
! peak number d 1373  F1=  2.890  F2=  2.476   null   null  d=  2.7
assi (( resid  7 and name HB3))
     (( resid  3 and name HB2))
             2.7 0.68 0.68
! peak number d 621  F1=  1.786  F2=  2.886   null   null  d=  2.7
assi (( resid  7 and name HB3) or ( resid 55 and name HE*) or ( resid 26 and name HE3))
     (( resid  55 and name HB*) or ( resid 3 and name HB3) or ( resid 26 and name HB*))
             2.7 0.68 0.68
! peak number d 1344  F1=  2.882  F2=  1.423   null   null  d=  4.3
assi (( resid  7 and name HB3) or ( resid 60 and name HE2) or ( resid 20 and name HB3))
     (( resid  58 and name HG) or ( resid 18 and name HG3))
             4.3 1.07 1.07
! peak number h 810  F1=  7.259  F2=  3.882   null   null  d=  3.8
assi (( resid  7 and name HN))
     (( resid  4 and name HD2))
             3.8 0.95 0.95
! peak number h 509  F1=  7.266  F2=  6.196   null   null  d=  3.6
assi (( resid  7 and name HN))
     (( resid  6 and name HD*))
             3.6 0.90 0.90
! peak number h 683  F1=  7.263  F2=  5.228   null   null  d=  2.9
assi (( resid  7 and name HN))
     (( resid  6 and name HN))
             2.9 0.72 0.72
! peak number h 486  F1=  7.260  F2=  3.294   null   null  d=  3.7
assi (( resid  7 and name HN))
     (( resid  7 and name HB2))
             3.7 0.91 0.91
! peak number h 121  F1=  7.262  F2=  2.894   null   null  d=  2.7
assi (( resid  7 and name HN))
     (( resid  7 and name HB3))
             2.7 0.68 0.68
! peak number h 832  F1=  7.260  F2=  4.930   null   null  d=  2.8
assi (( resid  7 and name HN) or ( resid 1 and name HD1))
     (( resid  57 and name HA))
             2.8 0.70 0.70
! peak number h 773  F1=  6.195  F2=  7.260   null   null  d=  3.8
assi (( resid  7 and name HN) or ( resid 1 and name HD1))
     (( resid  6 and name HD*))
             3.8 0.95 0.95
! peak number h 497  F1=  7.239  F2=  3.660   null   null  d=  3.2
assi (( resid  7 and name HN) or ( resid 5 and name HZ3))
     (( resid  6 and name HA))
             3.2 0.80 0.80
! peak number d 1427  F1=  3.872  F2=  4.190   null   null  d=  2.5
assi (( resid  8 and name HA))
     (( resid  27 and name HB3))
             2.5 0.61 0.61
! peak number d 407  F1=  4.185  F2=  1.381   null   null  d=  2.6
assi (( resid  8 and name HA))
     (( resid  8 and name HB2))
             2.6 0.65 0.65
! peak number d 878  F1=  1.207  F2=  4.191   null   null  d=  3.1
assi (( resid  8 and name HA))
     (( resid  8 and name HB3))
             3.1 0.78 0.78
! peak number d 1093  F1=  4.183  F2=  1.009   null   null  d=  4.2
assi (( resid  8 and name HA))
     (( resid  8 and name HD*))
             4.2 1.05 1.05
! peak number d 1171  F1=  0.481  F2=  4.203   null   null  d=  3.6
assi (( resid  8 and name HA))
     (( resid  8 and name HG2))
             3.6 0.90 0.90
! peak number d 370  F1=  0.026  F2=  4.193   null   null  d=  2.9
assi (( resid  8 and name HA))
     (( resid  8 and name HG3))
             2.9 0.72 0.72
! peak number d 972  F1=  0.476  F2=  1.367   null   null  d=  3.6
assi (( resid  8 and name HB2))
     (( resid  8 and name HG2))
             3.6 0.90 0.90
! peak number d 705  F1=  0.022  F2=  1.383   null   null  d=  2.9
assi (( resid  8 and name HB2))
     (( resid  8 and name HG3))
             2.9 0.72 0.72
! peak number d 848  F1=  1.196  F2=  0.483   null   null  d=  2.9
assi (( resid  8 and name HB3))
     (( resid  8 and name HG2))
             2.9 0.72 0.72
! peak number d 976  F1=  0.027  F2=  1.204   null   null  d=  3.8
assi (( resid  8 and name HB3))
     (( resid  8 and name HG3))
             3.8 0.94 0.94
! peak number d 677  F1=  1.192  F2=  2.894   null   null  d=  3.1
assi (( resid  8 and name HB3) or ( resid 7 and name HB3) or ( resid 26 and name HE3))
     (( resid  8 and name HB3) or ( resid 57 and name HB3) or ( resid 29 and name HB*))
             3.1 0.78 0.78
! peak number d 706  F1=  0.480  F2=  0.986   null   null  d=  2.7
assi (( resid  8 and name HD*))
     (( resid  8 and name HG2))
             2.7 0.68 0.68
! peak number d 703  F1=  0.987  F2=  0.036   null   null  d=  3.4
assi (( resid  8 and name HD*))
     (( resid  8 and name HG3))
             3.4 1.00 1.00
! peak number d 1213  F1=  1.193  F2=  2.197   null   null  d=  3.4
assi (( resid  8 and name HE*))
     (( resid  8 and name HB3))
             3.4 0.85 0.85
! peak number d 829  F1=  2.200  F2=  0.483   null   null  d=  3.3
assi (( resid  8 and name HE*))
     (( resid  8 and name HG2))
             3.3 0.84 0.84
! peak number d 1135  F1=  2.198  F2=  0.038   null   null  d=  3.5
assi (( resid  8 and name HE*))
     (( resid  8 and name HG3))
             3.5 0.88 0.88
! peak number d 699  F1=  0.471  F2=  0.043   null   null  d=  2.1
assi (( resid  8 and name HG2))
     (( resid  8 and name HG3))
             2.1 0.53 0.53
! peak number h 1087  F1=  3.637  F2=  7.060   null   null  d=  4.8
assi (( resid  8 and name HN))
     (( resid  6 and name HA))
             4.8 1.19 1.19
! peak number h 672  F1=  7.067  F2=  4.193   null   null  d=  4.0
assi (( resid  8 and name HN))
     (( resid  8 and name HA))
             4.0 1.00 1.00
! peak number h 892  F1=  1.381  F2=  7.071   null   null  d=  3.7
assi (( resid  8 and name HN))
     (( resid  8 and name HB2))
             3.7 0.93 0.93
! peak number h 158  F1=  7.066  F2=  0.483   null   null  d=  3.3
assi (( resid  8 and name HN))
     (( resid  8 and name HG2))
             3.3 0.82 0.82
! peak number h 150  F1=  7.060  F2=  1.194   null   null  d=  2.7
assi (( resid  8 and name HN) or ( resid 25 and name HE2))
     (( resid  8 and name HB3) or ( resid 57 and name HB3))
             2.7 0.68 0.68
! peak number h 395  F1=  0.983  F2=  7.078   null   null  d=  3.3
assi (( resid  8 and name HN) or ( resid 25 and name HE2))
     (( resid  8 and name HD*) or ( resid 58 and name HD2*) or ( resid 58 and name HD1*))
             3.3 0.82 0.82
! peak number h 179  F1=  7.093  F2=  2.896   null   null  d=  3.2
assi (( resid  8 and name HN) or ( resid 25 and name HE2) or ( resid 20 and name HD*))
     (( resid  7 and name HB3) or ( resid 20 and name HB3))
             3.2 0.81 0.81
! peak number d 488  F1=  3.812  F2=  4.487   null   null  d=  2.1
assi (( resid  9 and name HA))
     (( resid  10 and name HD2))
             2.1 0.53 0.53
! peak number d 440  F1=  4.480  F2=  3.683   null   null  d=  2.5
assi (( resid  9 and name HA))
     (( resid  10 and name HD3))
             2.5 0.61 0.61
! peak number d 1071  F1=  4.481  F2=  2.127   null   null  d=  3.3
assi (( resid  9 and name HA))
     (( resid  10 and name HG2))
             3.3 0.82 0.82
! peak number d 1070  F1=  4.480  F2=  1.895   null   null  d=  4.7
assi (( resid  9 and name HA))
     (( resid  10 and name HG3))
             4.7 1.60 1.60
! peak number d 413  F1=  4.480  F2=  2.253   null   null  d=  2.4
assi (( resid  9 and name HA))
     (( resid  9 and name HG2))
             2.4 0.60 0.60
! peak number d 397  F1=  4.482  F2=  2.570   null   null  d=  2.7
assi (( resid  9 and name HA))
     (( resid  9 and name HG3))
             2.7 0.69 0.69
! peak number d 441  F1=  4.476  F2=  3.826   null   null  d=  2.0
assi (( resid  9 and name HA) or ( resid 38 and name HA))
     (( resid  38 and name HB2) or ( resid 10 and name HD2))
             2.0 0.50 0.50
! peak number h 671  F1=  7.225  F2=  4.488   null   null  d=  3.2
assi (( resid  9 and name HN))
     (( resid  9 and name HA) or ( resid 7 and name HA))
             3.2 0.80 0.80
! peak number h 162  F1=  7.232  F2=  2.210   null   null  d=  2.4
assi (( resid  9 and name HN))
     (( resid  9 and name HB*))
             2.4 0.60 0.60
! peak number h 815  F1=  7.230  F2=  2.888   null   null  d=  5.1
assi (( resid  9 and name HN) or ( resid 5 and name HZ3))
     (( resid  7 and name HB3) or ( resid 45 and name HB3))
             5.1 1.27 1.27
! peak number h 670  F1=  7.263  F2=  4.507   null   null  d=  2.9
assi (( resid  9 and name HN) or ( resid 7 and name HN))
     (( resid  9 and name HA) or ( resid 7 and name HA))
             2.9 0.72 0.72
! peak number h 183  F1=  6.562  F2=  1.580   null   null  d=  2.7 TROP
! peak number d 785  F1=  4.654  F2=  6.197   null   null  d=  3.4
assi (( resid  6 and name HD*))
     (( resid  45 and name HA))
             3.4 0.85 0.85
! peak number d 776  F1=  6.184  F2=  3.638   null   null  d=  4.3
assi (( resid  6 and name HD*))
     (( resid  6 and name HA))
             4.3 1.06 1.06
! peak number d 67  F1=  6.781  F2=  1.933   null   null  d=  3.0
assi (( resid  6 and name HE*))
     (( resid  4 and name HB3))
             3.0 0.74 0.74
! peak number d 768  F1=  6.177  F2=  4.506   null   null  d=  3.8
assi (( resid  6 and name HD*))
     (( resid  7 and name HA))
             3.8 0.94 0.94
! peak number h 529  F1=  3.646  F2=  7.227   null   null  d=  3.3
assi (( resid  9 and name HN))
     (( resid  6 and name HA))
             3.3 0.82 0.82



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    TRP   1           H        TRP   1  13.297 -13.033   3.501
    2    HA   TRP   1           HA       TRP   1  11.816 -12.233   1.264
    3   1HB   TRP   1           HB1      TRP   1   9.884 -11.878   2.888
    4   2HB   TRP   1           HB2      TRP   1  10.988 -11.056   3.996
    5    HD1  TRP   1           HD1      TRP   1   9.076 -10.384   0.562
    6    HE1  TRP   1           HE1      TRP   1   8.890  -7.959   0.267
    7    HE3  TRP   1           HE3      TRP   1  12.022  -8.973   4.508
    8    HZ2  TRP   1           HZ2      TRP   1  10.018  -5.572   1.466
    9    HZ3  TRP   1           HZ3      TRP   1  12.382  -6.570   4.903
   10    HH2  TRP   1           HH2      TRP   1  11.340  -4.876   3.400
   11    H    GLN   2           H        GLN   2  12.690 -10.344   0.340
   12    HA   GLN   2           HA       GLN   2  14.462  -8.576   1.724
   13   1HB   GLN   2           HB1      GLN   2  15.149 -10.187  -0.837
   14   2HB   GLN   2           HB2      GLN   2  15.962  -8.657  -0.399
   15   1HG   GLN   2           HG1      GLN   2  16.094 -11.312   1.199
   16   2HG   GLN   2           HG2      GLN   2  17.376 -10.607   0.157
   17   1HE2  GLN   2           HE21     GLN   2  16.864  -9.116   3.941
   18   2HE2  GLN   2           HE22     GLN   2  15.558 -10.069   3.246
   19    HA   PRO   3           HA       PRO   3  11.332  -6.515  -0.315
   20   1HB   PRO   3           HB1      PRO   3  12.308  -3.895  -0.947
   21   2HB   PRO   3           HB2      PRO   3  11.730  -4.574   0.624
   22   1HG   PRO   3           HG1      PRO   3  14.610  -4.453  -0.525
   23   2HG   PRO   3           HG2      PRO   3  14.106  -4.020   1.171
   24   1HD   PRO   3           HD1      PRO   3  15.264  -6.408   0.492
   25   2HD   PRO   3           HD2      PRO   3  13.977  -6.282   1.791
   26    HA   PRO   4           HA       PRO   4  11.817  -7.074  -4.867
   27   1HB   PRO   4           HB1      PRO   4   9.307  -8.099  -5.313
   28   2HB   PRO   4           HB2      PRO   4  10.362  -8.930  -4.147
   29   1HG   PRO   4           HG1      PRO   4   8.339  -6.841  -3.434
   30   2HG   PRO   4           HG2      PRO   4   8.518  -8.565  -2.769
   31   1HD   PRO   4           HD1      PRO   4   9.481  -6.282  -1.573
   32   2HD   PRO   4           HD2      PRO   4  10.286  -7.931  -1.490
   33    H    TRP   5           H        TRP   5   8.529  -6.265  -5.529
   34    HA   TRP   5           HA       TRP   5   9.197  -3.661  -6.539
   35   1HB   TRP   5           HB1      TRP   5   6.771  -3.641  -7.438
   36   2HB   TRP   5           HB2      TRP   5   7.914  -4.583  -8.201
   37    HD1  TRP   5           HD1      TRP   5   7.658  -7.308  -8.158
   38    HE1  TRP   5           HE1      TRP   5   5.323  -8.608  -8.021
   39    HE3  TRP   5           HE3      TRP   5   4.520  -3.804  -6.254
   40    HZ2  TRP   5           HZ2      TRP   5   2.612  -7.864  -8.236
   41    HZ3  TRP   5           HZ3      TRP   5   2.309  -3.807  -6.705
   42    HH2  TRP   5           HH2      TRP   5   1.191  -5.963  -7.639
   43    H    TYR   6           H        TYR   6   6.359  -4.854  -4.787
   44    HA   TYR   6           HA       TYR   6   4.790  -2.858  -4.256
   45   1HB   TYR   6           HB1      TYR   6   5.191  -4.636  -1.823
   46   2HB   TYR   6           HB2      TYR   6   3.719  -4.258  -2.776
   47    HD1  TYR   6           HD1      TYR   6   3.270  -5.719  -4.825
   48    HD2  TYR   6           HD2      TYR   6   6.544  -6.324  -2.205
   49    HE1  TYR   6           HE1      TYR   6   3.396  -8.060  -5.617
   50    HE2  TYR   6           HE2      TYR   6   6.598  -8.853  -2.991
   51    HH   TYR   6           HH       TYR   6   4.374 -10.043  -5.367
   52    H    CYS   7           H        CYS   7   7.408  -3.404  -1.890
   53    HA   CYS   7           HA       CYS   7   6.677  -1.533  -0.157
   54   1HB   CYS   7           HB1      CYS   7   9.621  -2.266  -0.554
   55   2HB   CYS   7           HB2      CYS   7   8.790  -1.928   0.963
   56    H    LYS   8           H        LYS   8   8.792  -1.120  -2.999
   57    HA   LYS   8           HA       LYS   8   9.304   1.713  -2.465
   58   1HB   LYS   8           HB1      LYS   8  10.340  -0.293  -4.556
   59   2HB   LYS   8           HB2      LYS   8  10.860   1.429  -4.472
   60   1HG   LYS   8           HG1      LYS   8  11.867   1.104  -2.270
   61   2HG   LYS   8           HG2      LYS   8  11.195  -0.551  -2.151
   62   1HD   LYS   8           HD1      LYS   8  13.455  -0.856  -2.725
   63   2HD   LYS   8           HD2      LYS   8  12.493  -1.238  -4.190
   64   1HE   LYS   8           HE1      LYS   8  14.555   0.057  -4.787
   65   2HE   LYS   8           HE2      LYS   8  13.104   1.074  -5.136
   66   1HZ   LYS   8           HZ1      LYS   8  14.827   1.238  -2.718
   67   2HZ   LYS   8           HZ2      LYS   8  14.827   2.302  -4.043
   68   3HZ   LYS   8           HZ3      LYS   8  13.462   2.195  -3.038
   69    H    GLU   9           H        GLU   9   6.509   0.293  -3.609
   70    HA   GLU   9           HA       GLU   9   6.441   1.295  -6.321
   71   1HB   GLU   9           HB1      GLU   9   5.668  -0.945  -5.545
   72   2HB   GLU   9           HB2      GLU   9   4.353  -0.145  -4.666
   73   1HG   GLU   9           HG1      GLU   9   3.875   0.814  -7.283
   74   2HG   GLU   9           HG2      GLU   9   4.767  -0.739  -7.651
   75    HA   PRO  10           HA       PRO  10   4.904   5.151  -4.659
   76   1HB   PRO  10           HB1      PRO  10   3.860   5.498  -7.550
   77   2HB   PRO  10           HB2      PRO  10   4.684   6.752  -6.539
   78   1HG   PRO  10           HG1      PRO  10   6.185   5.452  -8.301
   79   2HG   PRO  10           HG2      PRO  10   6.775   5.422  -6.589
   80   1HD   PRO  10           HD1      PRO  10   5.130   3.224  -7.961
   81   2HD   PRO  10           HD2      PRO  10   6.725   3.124  -7.081
   82    H    VAL  11           H        VAL  11   3.040   6.213  -3.625
   83    HA   VAL  11           HA       VAL  11   0.525   4.823  -3.833
   84    HB   VAL  11           HB       VAL  11   1.457   5.548  -1.699
   85   1HG1  VAL  11           HG11     VAL  11   2.350   7.819  -2.360
   86   2HG1  VAL  11           HG12     VAL  11   0.665   8.428  -2.511
   87   3HG1  VAL  11           HG13     VAL  11   1.265   7.844  -0.928
   88   1HG2  VAL  11           HG21     VAL  11  -0.881   4.911  -1.948
   89   2HG2  VAL  11           HG22     VAL  11  -0.757   6.288  -0.800
   90   3HG2  VAL  11           HG23     VAL  11  -1.367   6.570  -2.460
   91    H    ARG  12           H        ARG  12  -1.270   5.413  -4.926
   92    HA   ARG  12           HA       ARG  12  -1.292   7.834  -6.602
   93   1HB   ARG  12           HB1      ARG  12  -2.180   4.931  -7.196
   94   2HB   ARG  12           HB2      ARG  12  -2.344   6.257  -8.385
   95   1HG   ARG  12           HG1      ARG  12   0.212   5.129  -7.229
   96   2HG   ARG  12           HG2      ARG  12  -0.600   4.553  -8.708
   97   1HD   ARG  12           HD1      ARG  12  -0.392   6.770  -9.818
   98   2HD   ARG  12           HD2      ARG  12   0.638   7.360  -8.457
   99    HE   ARG  12           HE       ARG  12   2.492   5.967  -9.433
  100   1HH1  ARG  12           HH11     ARG  12  -0.557   4.971 -10.928
  101   2HH1  ARG  12           HH12     ARG  12   0.288   3.946 -12.028
  102   1HH2  ARG  12           HH21     ARG  12   3.372   4.443 -10.626
  103   2HH2  ARG  12           HH22     ARG  12   2.518   3.826 -11.988
  104    H    ILE  13           H        ILE  13  -3.503   8.926  -6.231
  105    HA   ILE  13           HA       ILE  13  -5.398   7.258  -4.675
  106    HB   ILE  13           HB       ILE  13  -4.818   9.085  -3.492
  107   1HG1  ILE  13           HG11     ILE  13  -7.685   9.271  -4.556
  108   2HG1  ILE  13           HG12     ILE  13  -7.030   7.957  -3.531
  109   1HG2  ILE  13           HG21     ILE  13  -4.322  10.924  -5.056
  110   2HG2  ILE  13           HG22     ILE  13  -6.085  10.939  -5.571
  111   3HG2  ILE  13           HG23     ILE  13  -5.582  11.295  -3.882
  112   1HD1  ILE  13           HD11     ILE  13  -6.661   9.612  -1.667
  113   2HD1  ILE  13           HD12     ILE  13  -7.462  10.898  -2.683
  114   3HD1  ILE  13           HD13     ILE  13  -8.403   9.439  -2.151
  115    H    GLY  14           H        GLY  14  -5.182   9.254  -7.545
  116   1HA   GLY  14           HA1      GLY  14  -6.391   8.930  -9.598
  117   2HA   GLY  14           HA2      GLY  14  -7.595   7.933  -8.713
  118    H    SER  15           H        SER  15  -9.144   9.577 -10.047
  119    HA   SER  15           HA       SER  15  -9.888  11.649  -8.122
  120   1HB   SER  15           HB1      SER  15  -8.854  12.463 -10.898
  121   2HB   SER  15           HB2      SER  15  -9.838  13.554  -9.847
  122    HG   SER  15           HG       SER  15  -7.751  12.320  -8.546
  123    H    CYS  16           H        CYS  16 -11.875  10.977  -7.790
  124    HA   CYS  16           HA       CYS  16 -13.875  11.821  -9.443
  125   1HB   CYS  16           HB1      CYS  16 -15.084   9.601  -9.906
  126   2HB   CYS  16           HB2      CYS  16 -13.565   9.914 -10.805
  127    H    LYS  17           H        LYS  17 -15.835  11.880  -8.165
  128    HA   LYS  17           HA       LYS  17 -15.025  12.480  -5.517
  129   1HB   LYS  17           HB1      LYS  17 -17.667  12.981  -6.932
  130   2HB   LYS  17           HB2      LYS  17 -17.235  13.650  -5.320
  131   1HG   LYS  17           HG1      LYS  17 -15.704  14.363  -7.870
  132   2HG   LYS  17           HG2      LYS  17 -16.949  15.279  -6.973
  133   1HD   LYS  17           HD1      LYS  17 -15.438  15.022  -4.873
  134   2HD   LYS  17           HD2      LYS  17 -14.123  14.553  -6.005
  135   1HE   LYS  17           HE1      LYS  17 -15.790  17.143  -6.118
  136   2HE   LYS  17           HE2      LYS  17 -14.131  17.010  -5.387
  137   1HZ   LYS  17           HZ1      LYS  17 -14.839  16.462  -8.227
  138   2HZ   LYS  17           HZ2      LYS  17 -14.056  17.847  -7.632
  139   3HZ   LYS  17           HZ3      LYS  17 -13.293  16.333  -7.536
  140    H    LYS  18           H        LYS  18 -14.914   9.743  -5.381
  141    HA   LYS  18           HA       LYS  18 -16.416   9.414  -2.952
  142   1HB   LYS  18           HB1      LYS  18 -17.985   8.402  -4.581
  143   2HB   LYS  18           HB2      LYS  18 -16.672   7.431  -5.323
  144   1HG   LYS  18           HG1      LYS  18 -16.453   6.092  -3.289
  145   2HG   LYS  18           HG2      LYS  18 -17.488   7.221  -2.360
  146   1HD   LYS  18           HD1      LYS  18 -19.356   6.687  -4.151
  147   2HD   LYS  18           HD2      LYS  18 -18.378   5.231  -4.502
  148   1HE   LYS  18           HE1      LYS  18 -20.158   4.676  -2.883
  149   2HE   LYS  18           HE2      LYS  18 -18.594   4.630  -1.971
  150   1HZ   LYS  18           HZ1      LYS  18 -20.525   6.893  -2.062
  151   2HZ   LYS  18           HZ2      LYS  18 -20.304   5.796  -0.784
  152   3HZ   LYS  18           HZ3      LYS  18 -19.057   6.869  -1.209
  153    H    GLN  19           H        GLN  19 -14.918   8.156  -1.491
  154    HA   GLN  19           HA       GLN  19 -12.468   7.190  -2.772
  155   1HB   GLN  19           HB1      GLN  19 -12.236   8.299   0.056
  156   2HB   GLN  19           HB2      GLN  19 -11.039   8.214  -1.277
  157   1HG   GLN  19           HG1      GLN  19 -13.300  10.319  -1.300
  158   2HG   GLN  19           HG2      GLN  19 -11.804  10.466  -0.324
  159   1HE2  GLN  19           HE21     GLN  19 -11.196  10.270  -4.387
  160   2HE2  GLN  19           HE22     GLN  19 -12.633   9.552  -3.731
  161    H    PHE  20           H        PHE  20 -11.923   5.108  -2.152
  162    HA   PHE  20           HA       PHE  20 -13.501   3.711  -0.082
  163   1HB   PHE  20           HB1      PHE  20 -11.816   2.395  -2.294
  164   2HB   PHE  20           HB2      PHE  20 -13.103   1.710  -1.293
  165    HD1  PHE  20           HD1      PHE  20 -15.524   2.518  -1.556
  166    HD2  PHE  20           HD2      PHE  20 -12.477   3.564  -4.480
  167    HE1  PHE  20           HE1      PHE  20 -17.246   3.035  -3.239
  168    HE2  PHE  20           HE2      PHE  20 -14.188   4.018  -6.092
  169    HZ   PHE  20           HZ       PHE  20 -16.596   3.738  -5.522
  170    H    SER  21           H        SER  21 -12.222   2.451   1.604
  171    HA   SER  21           HA       SER  21  -9.757   3.687   2.239
  172   1HB   SER  21           HB1      SER  21 -11.519   2.880   3.877
  173   2HB   SER  21           HB2      SER  21 -10.782   1.247   3.755
  174    HG   SER  21           HG       SER  21  -9.982   2.787   5.449
  175    H    SER  22           H        SER  22  -7.648   3.179   2.340
  176    HA   SER  22           HA       SER  22  -6.708   0.577   1.327
  177   1HB   SER  22           HB1      SER  22  -5.136   1.833  -0.286
  178   2HB   SER  22           HB2      SER  22  -6.815   2.022  -0.672
  179    HG   SER  22           HG       SER  22  -5.391   3.875   0.942
  180    H    PHE  23           H        PHE  23  -4.518   0.250   1.535
  181    HA   PHE  23           HA       PHE  23  -2.971   1.915   3.444
  182   1HB   PHE  23           HB1      PHE  23  -3.048  -1.240   3.679
  183   2HB   PHE  23           HB2      PHE  23  -2.070  -0.104   4.547
  184    HD1  PHE  23           HD1      PHE  23  -3.069   1.379   6.297
  185    HD2  PHE  23           HD2      PHE  23  -5.466  -1.389   4.051
  186    HE1  PHE  23           HE1      PHE  23  -4.942   1.659   7.915
  187    HE2  PHE  23           HE2      PHE  23  -7.334  -1.085   5.641
  188    HZ   PHE  23           HZ       PHE  23  -7.089   0.483   7.549
  189    H    TYR  24           H        TYR  24  -0.829   2.288   2.734
  190    HA   TYR  24           HA       TYR  24   0.157   0.659   0.442
  191   1HB   TYR  24           HB1      TYR  24   1.281   2.530  -0.546
  192   2HB   TYR  24           HB2      TYR  24  -0.371   3.070  -0.233
  193    HD1  TYR  24           HD1      TYR  24   3.154   3.331   0.814
  194    HD2  TYR  24           HD2      TYR  24  -0.771   5.117   1.249
  195    HE1  TYR  24           HE1      TYR  24   4.114   5.249   2.128
  196    HE2  TYR  24           HE2      TYR  24   0.206   6.984   2.441
  197    HH   TYR  24           HH       TYR  24   2.172   7.956   3.235
  198    H    PHE  25           H        PHE  25   2.472  -0.166   0.685
  199    HA   PHE  25           HA       PHE  25   3.277  -0.164   3.523
  200   1HB   PHE  25           HB1      PHE  25   3.141  -2.301   2.129
  201   2HB   PHE  25           HB2      PHE  25   4.642  -1.793   1.328
  202    HD1  PHE  25           HD1      PHE  25   6.751  -1.243   2.969
  203    HD2  PHE  25           HD2      PHE  25   3.290  -3.655   4.044
  204    HE1  PHE  25           HE1      PHE  25   7.935  -2.411   4.881
  205    HE2  PHE  25           HE2      PHE  25   4.360  -4.526   5.934
  206    HZ   PHE  25           HZ       PHE  25   6.758  -3.812   6.419
  207    H    LYS  26           H        LYS  26   4.700   1.433   4.305
  208    HA   LYS  26           HA       LYS  26   5.912   3.184   2.431
  209   1HB   LYS  26           HB1      LYS  26   4.548   3.954   4.124
  210   2HB   LYS  26           HB2      LYS  26   5.448   3.078   5.379
  211   1HG   LYS  26           HG1      LYS  26   5.803   5.187   5.519
  212   2HG   LYS  26           HG2      LYS  26   7.455   4.591   4.982
  213   1HD   LYS  26           HD1      LYS  26   5.517   6.396   3.493
  214   2HD   LYS  26           HD2      LYS  26   7.115   6.776   4.252
  215   1HE   LYS  26           HE1      LYS  26   6.744   4.869   1.934
  216   2HE   LYS  26           HE2      LYS  26   7.226   6.616   1.775
  217   1HZ   LYS  26           HZ1      LYS  26   8.713   4.486   3.184
  218   2HZ   LYS  26           HZ2      LYS  26   9.093   5.157   1.672
  219   3HZ   LYS  26           HZ3      LYS  26   9.168   6.119   3.070
  220    H    TRP  27           H        TRP  27   7.885   2.733   1.773
  221    HA   TRP  27           HA       TRP  27   9.498   0.621   2.613
  222   1HB   TRP  27           HB1      TRP  27   9.812   0.787   0.499
  223   2HB   TRP  27           HB2      TRP  27   9.142   2.369   0.376
  224    HD1  TRP  27           HD1      TRP  27  11.205   4.406   0.149
  225    HE1  TRP  27           HE1      TRP  27  13.671   4.066  -0.625
  226    HE3  TRP  27           HE3      TRP  27  11.517  -0.550   0.861
  227    HZ2  TRP  27           HZ2      TRP  27  15.617   1.951  -0.541
  228    HZ3  TRP  27           HZ3      TRP  27  13.613  -1.739   0.530
  229    HH2  TRP  27           HH2      TRP  27  15.700  -0.518  -0.152
  230    H    THR  28           H        THR  28  10.044   4.129   3.403
  231    HA   THR  28           HA       THR  28  12.513   3.318   4.747
  232    HB   THR  28           HB       THR  28  12.788   5.775   5.306
  233    HG1  THR  28           HG1      THR  28  11.644   7.009   3.606
  234   1HG2  THR  28           HG21     THR  28  14.012   4.560   3.498
  235   2HG2  THR  28           HG22     THR  28  12.653   4.858   2.357
  236   3HG2  THR  28           HG23     THR  28  13.617   6.237   3.001
  237    H    ALA  29           H        ALA  29   9.275   3.218   5.506
  238    HA   ALA  29           HA       ALA  29   9.615   3.808   8.383
  239   1HB   ALA  29           HB1      ALA  29   7.632   4.728   7.206
  240   2HB   ALA  29           HB2      ALA  29   7.089   3.079   6.773
  241   3HB   ALA  29           HB3      ALA  29   7.136   3.599   8.513
  242    H    LYS  30           H        LYS  30   8.659   1.018   6.275
  243    HA   LYS  30           HA       LYS  30   8.993  -1.144   6.540
  244   1HB   LYS  30           HB1      LYS  30  10.873  -0.576   8.294
  245   2HB   LYS  30           HB2      LYS  30   9.727  -1.302   9.447
  246   1HG   LYS  30           HG1      LYS  30  11.116  -3.042   8.704
  247   2HG   LYS  30           HG2      LYS  30   9.658  -3.331   7.704
  248   1HD   LYS  30           HD1      LYS  30  10.827  -2.143   5.769
  249   2HD   LYS  30           HD2      LYS  30  12.204  -1.780   6.864
  250   1HE   LYS  30           HE1      LYS  30  12.654  -4.244   7.117
  251   2HE   LYS  30           HE2      LYS  30  11.320  -4.586   5.938
  252   1HZ   LYS  30           HZ1      LYS  30  13.754  -2.935   5.430
  253   2HZ   LYS  30           HZ2      LYS  30  13.480  -4.522   4.889
  254   3HZ   LYS  30           HZ3      LYS  30  12.512  -3.250   4.315
  255    H    LYS  31           H        LYS  31   6.552   0.493   7.222
  256    HA   LYS  31           HA       LYS  31   4.833  -1.703   7.938
  257   1HB   LYS  31           HB1      LYS  31   3.517  -0.298   9.612
  258   2HB   LYS  31           HB2      LYS  31   5.133  -0.851  10.148
  259   1HG   LYS  31           HG1      LYS  31   6.137   1.313   9.747
  260   2HG   LYS  31           HG2      LYS  31   4.627   1.922   8.989
  261   1HD   LYS  31           HD1      LYS  31   4.776   2.845  11.228
  262   2HD   LYS  31           HD2      LYS  31   3.402   1.693  11.148
  263   1HE   LYS  31           HE1      LYS  31   4.553   1.470  13.300
  264   2HE   LYS  31           HE2      LYS  31   4.844  -0.045  12.357
  265   1HZ   LYS  31           HZ1      LYS  31   6.712   2.256  12.634
  266   2HZ   LYS  31           HZ2      LYS  31   6.824   0.755  13.421
  267   3HZ   LYS  31           HZ3      LYS  31   6.998   0.845  11.734
  268    H    CYS  32           H        CYS  32   2.393  -0.940   7.482
  269    HA   CYS  32           HA       CYS  32   2.412   0.609   5.057
  270   1HB   CYS  32           HB1      CYS  32  -0.025  -0.959   6.233
  271   2HB   CYS  32           HB2      CYS  32   0.089  -0.040   4.759
  272    H    LEU  33           H        LEU  33   1.269   2.434   4.726
  273    HA   LEU  33           HA       LEU  33   0.190   3.843   7.125
  274   1HB   LEU  33           HB1      LEU  33   1.292   5.068   4.553
  275   2HB   LEU  33           HB2      LEU  33   0.640   5.958   5.973
  276    HG   LEU  33           HG       LEU  33   3.319   5.019   5.291
  277   1HD1  LEU  33           HD11     LEU  33   2.496   7.388   5.591
  278   2HD1  LEU  33           HD12     LEU  33   2.118   6.995   7.312
  279   3HD1  LEU  33           HD13     LEU  33   3.836   7.015   6.741
  280   1HD2  LEU  33           HD21     LEU  33   2.557   4.714   8.255
  281   2HD2  LEU  33           HD22     LEU  33   3.224   3.428   7.117
  282   3HD2  LEU  33           HD23     LEU  33   4.197   4.858   7.562
  283    HA   PRO  34           HA       PRO  34  -3.632   3.681   4.694
  284   1HB   PRO  34           HB1      PRO  34  -5.294   5.110   6.383
  285   2HB   PRO  34           HB2      PRO  34  -4.448   3.643   6.976
  286   1HG   PRO  34           HG1      PRO  34  -3.617   6.555   7.430
  287   2HG   PRO  34           HG2      PRO  34  -3.741   5.227   8.651
  288   1HD   PRO  34           HD1      PRO  34  -1.395   6.016   7.215
  289   2HD   PRO  34           HD2      PRO  34  -1.614   4.404   8.038
  290    H    PHE  35           H        PHE  35  -4.788   4.589   3.339
  291    HA   PHE  35           HA       PHE  35  -4.961   7.451   3.012
  292   1HB   PHE  35           HB1      PHE  35  -4.173   7.717   0.758
  293   2HB   PHE  35           HB2      PHE  35  -2.870   6.945   1.671
  294    HD1  PHE  35           HD1      PHE  35  -2.868   4.190   1.445
  295    HD2  PHE  35           HD2      PHE  35  -4.614   6.943  -1.437
  296    HE1  PHE  35           HE1      PHE  35  -2.504   2.567  -0.349
  297    HE2  PHE  35           HE2      PHE  35  -4.445   5.186  -3.120
  298    HZ   PHE  35           HZ       PHE  35  -3.383   2.999  -2.609
  299    H    LEU  36           H        LEU  36  -6.369   7.208   0.464
  300    HA   LEU  36           HA       LEU  36  -8.387   5.203   0.780
  301   1HB   LEU  36           HB1      LEU  36  -8.949   8.261   0.399
  302   2HB   LEU  36           HB2      LEU  36 -10.169   6.940   0.343
  303    HG   LEU  36           HG       LEU  36  -8.642   7.865   2.833
  304   1HD1  LEU  36           HD11     LEU  36 -10.161   9.618   1.860
  305   2HD1  LEU  36           HD12     LEU  36 -11.544   8.461   1.982
  306   3HD1  LEU  36           HD13     LEU  36 -10.706   9.023   3.465
  307   1HD2  LEU  36           HD21     LEU  36 -11.019   5.945   2.434
  308   2HD2  LEU  36           HD22     LEU  36  -9.385   5.539   3.115
  309   3HD2  LEU  36           HD23     LEU  36 -10.504   6.605   4.030
  310    H    PHE  37           H        PHE  37  -9.090   4.788  -1.355
  311    HA   PHE  37           HA       PHE  37  -7.577   6.017  -3.636
  312   1HB   PHE  37           HB1      PHE  37  -6.857   3.775  -3.470
  313   2HB   PHE  37           HB2      PHE  37  -8.492   3.251  -2.861
  314    HD1  PHE  37           HD1      PHE  37  -6.579   3.985  -6.195
  315    HD2  PHE  37           HD2      PHE  37 -10.208   2.587  -4.235
  316    HE1  PHE  37           HE1      PHE  37  -7.181   2.712  -8.139
  317    HE2  PHE  37           HE2      PHE  37 -10.847   1.462  -6.350
  318    HZ   PHE  37           HZ       PHE  37  -9.247   1.402  -8.248
  319    H    SER  38           H        SER  38  -8.786   7.004  -5.294
  320    HA   SER  38           HA       SER  38 -11.618   7.572  -4.803
  321   1HB   SER  38           HB1      SER  38  -9.916   8.289  -7.277
  322   2HB   SER  38           HB2      SER  38 -11.564   8.909  -6.870
  323    HG   SER  38           HG       SER  38  -9.229   9.906  -6.156
  324    H    GLY  39           H        GLY  39  -9.727   5.680  -7.121
  325   1HA   GLY  39           HA1      GLY  39 -10.639   3.668  -7.976
  326   2HA   GLY  39           HA2      GLY  39 -12.153   4.458  -8.354
  327    H    CYS  40           H        CYS  40 -11.164   6.913  -9.570
  328    HA   CYS  40           HA       CYS  40 -10.288   5.886 -12.053
  329   1HB   CYS  40           HB1      CYS  40 -10.804   8.776 -11.217
  330   2HB   CYS  40           HB2      CYS  40 -10.911   8.063 -12.848
  331    H    GLY  41           H        GLY  41  -8.120   5.115 -11.053
  332   1HA   GLY  41           HA1      GLY  41  -6.012   5.548 -12.361
  333   2HA   GLY  41           HA2      GLY  41  -5.990   7.155 -11.610
  334    H    GLY  42           H        GLY  42  -6.096   3.689 -10.300
  335   1HA   GLY  42           HA1      GLY  42  -3.936   4.504  -8.453
  336   2HA   GLY  42           HA2      GLY  42  -5.058   3.115  -8.301
  337    H    ASN  43           H        ASN  43  -3.108   1.853  -7.800
  338    HA   ASN  43           HA       ASN  43  -1.920   0.819 -10.269
  339   1HB   ASN  43           HB1      ASN  43   0.367   1.021  -9.703
  340   2HB   ASN  43           HB2      ASN  43  -0.396   2.604  -9.614
  341   1HD2  ASN  43           HD21     ASN  43   1.811   2.870  -6.919
  342   2HD2  ASN  43           HD22     ASN  43   1.778   2.865  -8.663
  343    H    ALA  44           H        ALA  44  -0.476  -0.202  -7.298
  344    HA   ALA  44           HA       ALA  44  -2.278  -2.323  -6.720
  345   1HB   ALA  44           HB1      ALA  44   0.084  -3.050  -8.554
  346   2HB   ALA  44           HB2      ALA  44  -0.912  -4.260  -7.602
  347   3HB   ALA  44           HB3      ALA  44  -1.658  -3.261  -8.866
  348    H    ASN  45           H        ASN  45  -0.598  -0.220  -5.322
  349    HA   ASN  45           HA       ASN  45   1.037  -2.010  -3.575
  350   1HB   ASN  45           HB1      ASN  45   2.081   0.216  -4.407
  351   2HB   ASN  45           HB2      ASN  45   0.862   1.119  -3.518
  352   1HD2  ASN  45           HD21     ASN  45   3.758   1.118  -1.302
  353   2HD2  ASN  45           HD22     ASN  45   3.288   1.830  -2.796
  354    H    ARG  46           H        ARG  46  -2.067  -2.018  -3.670
  355    HA   ARG  46           HA       ARG  46  -2.834  -0.603  -1.192
  356   1HB   ARG  46           HB1      ARG  46  -5.101  -0.233  -2.144
  357   2HB   ARG  46           HB2      ARG  46  -3.744   0.656  -2.883
  358   1HG   ARG  46           HG1      ARG  46  -3.648  -1.018  -4.725
  359   2HG   ARG  46           HG2      ARG  46  -5.030  -1.892  -3.999
  360   1HD   ARG  46           HD1      ARG  46  -5.644  -0.446  -6.028
  361   2HD   ARG  46           HD2      ARG  46  -6.557  -0.102  -4.509
  362    HE   ARG  46           HE       ARG  46  -5.846   2.073  -4.765
  363   1HH1  ARG  46           HH11     ARG  46  -3.056   0.211  -5.789
  364   2HH1  ARG  46           HH12     ARG  46  -2.057   1.624  -5.959
  365   1HH2  ARG  46           HH21     ARG  46  -4.568   3.815  -5.029
  366   2HH2  ARG  46           HH22     ARG  46  -3.025   3.652  -5.706
  367    H    PHE  47           H        PHE  47  -2.989  -1.804   0.266
  368    HA   PHE  47           HA       PHE  47  -3.882  -4.583   0.247
  369   1HB   PHE  47           HB1      PHE  47  -2.754  -2.680   2.489
  370   2HB   PHE  47           HB2      PHE  47  -2.970  -4.472   2.633
  371    HD1  PHE  47           HD1      PHE  47  -1.602  -5.956   0.982
  372    HD2  PHE  47           HD2      PHE  47  -0.748  -1.786   1.549
  373    HE1  PHE  47           HE1      PHE  47   0.767  -6.313   0.420
  374    HE2  PHE  47           HE2      PHE  47   1.479  -2.093   0.681
  375    HZ   PHE  47           HZ       PHE  47   2.320  -4.395   0.218
  376    H    GLN  48           H        GLN  48  -6.095  -5.077   0.843
  377    HA   GLN  48           HA       GLN  48  -7.875  -2.902   1.240
  378   1HB   GLN  48           HB1      GLN  48  -9.568  -4.258   0.641
  379   2HB   GLN  48           HB2      GLN  48  -8.192  -5.016  -0.194
  380   1HG   GLN  48           HG1      GLN  48  -9.766  -5.992   2.290
  381   2HG   GLN  48           HG2      GLN  48  -9.699  -6.746   0.666
  382   1HE2  GLN  48           HE21     GLN  48  -6.466  -8.293   1.447
  383   2HE2  GLN  48           HE22     GLN  48  -7.225  -7.577   0.054
  384    H    THR  49           H        THR  49  -6.225  -4.791   3.553
  385    HA   THR  49           HA       THR  49  -7.568  -3.557   5.798
  386    HB   THR  49           HB       THR  49  -7.383  -5.706   7.154
  387    HG1  THR  49           HG1      THR  49  -7.323  -7.040   4.640
  388   1HG2  THR  49           HG21     THR  49  -9.591  -4.987   6.274
  389   2HG2  THR  49           HG22     THR  49  -9.333  -5.945   4.775
  390   3HG2  THR  49           HG23     THR  49  -9.439  -6.777   6.366
  391    H    ILE  50           H        ILE  50  -5.794  -3.940   7.755
  392    HA   ILE  50           HA       ILE  50  -3.167  -3.559   6.555
  393    HB   ILE  50           HB       ILE  50  -4.243  -2.106   8.302
  394   1HG1  ILE  50           HG11     ILE  50  -1.339  -3.053   8.684
  395   2HG1  ILE  50           HG12     ILE  50  -1.944  -1.808   7.535
  396   1HG2  ILE  50           HG21     ILE  50  -4.962  -4.036   9.832
  397   2HG2  ILE  50           HG22     ILE  50  -3.233  -4.264  10.277
  398   3HG2  ILE  50           HG23     ILE  50  -4.064  -2.719  10.656
  399   1HD1  ILE  50           HD11     ILE  50  -2.778  -0.441   9.514
  400   2HD1  ILE  50           HD12     ILE  50  -2.045  -1.653  10.618
  401   3HD1  ILE  50           HD13     ILE  50  -0.995  -0.674   9.552
  402    H    GLY  51           H        GLY  51  -4.735  -6.338   7.029
  403   1HA   GLY  51           HA1      GLY  51  -2.472  -7.820   8.225
  404   2HA   GLY  51           HA2      GLY  51  -4.095  -8.418   7.881
  405    H    GLU  52           H        GLU  52  -3.689  -6.974   5.139
  406    HA   GLU  52           HA       GLU  52  -2.465  -9.179   3.673
  407   1HB   GLU  52           HB1      GLU  52  -4.679  -8.036   3.142
  408   2HB   GLU  52           HB2      GLU  52  -3.785  -6.556   2.739
  409   1HG   GLU  52           HG1      GLU  52  -4.323  -7.505   0.620
  410   2HG   GLU  52           HG2      GLU  52  -2.645  -7.975   0.783
  411    H    CYS  53           H        CYS  53  -1.789  -5.972   4.718
  412    HA   CYS  53           HA       CYS  53   0.037  -4.673   3.299
  413   1HB   CYS  53           HB1      CYS  53  -0.997  -3.728   5.213
  414   2HB   CYS  53           HB2      CYS  53  -0.466  -5.059   6.281
  415    H    ARG  54           H        ARG  54   0.887  -6.791   5.773
  416    HA   ARG  54           HA       ARG  54   3.738  -6.875   5.540
  417   1HB   ARG  54           HB1      ARG  54   3.645  -8.064   7.492
  418   2HB   ARG  54           HB2      ARG  54   2.345  -6.886   7.549
  419   1HG   ARG  54           HG1      ARG  54   1.092  -9.187   6.477
  420   2HG   ARG  54           HG2      ARG  54   2.179  -9.871   7.726
  421   1HD   ARG  54           HD1      ARG  54   1.213  -8.612   9.516
  422   2HD   ARG  54           HD2      ARG  54   0.384  -7.466   8.370
  423    HE   ARG  54           HE       ARG  54  -1.116  -9.577   7.686
  424   1HH1  ARG  54           HH11     ARG  54   0.019  -9.424  11.063
  425   2HH1  ARG  54           HH12     ARG  54  -1.033 -10.731  11.491
  426   1HH2  ARG  54           HH21     ARG  54  -2.271 -11.117   8.291
  427   2HH2  ARG  54           HH22     ARG  54  -2.390 -11.621   9.957
  428    H    LYS  55           H        LYS  55   1.411  -8.716   3.678
  429    HA   LYS  55           HA       LYS  55   3.112 -11.114   3.482
  430   1HB   LYS  55           HB1      LYS  55   0.435 -10.337   2.177
  431   2HB   LYS  55           HB2      LYS  55   1.259 -11.915   1.908
  432   1HG   LYS  55           HG1      LYS  55   1.097 -12.546   4.231
  433   2HG   LYS  55           HG2      LYS  55   0.338 -11.005   4.706
  434   1HD   LYS  55           HD1      LYS  55  -1.543 -11.448   3.076
  435   2HD   LYS  55           HD2      LYS  55  -0.843 -13.082   2.816
  436   1HE   LYS  55           HE1      LYS  55  -1.102 -13.617   5.237
  437   2HE   LYS  55           HE2      LYS  55  -1.760 -11.959   5.553
  438   1HZ   LYS  55           HZ1      LYS  55  -2.965 -14.003   3.752
  439   2HZ   LYS  55           HZ2      LYS  55  -3.504 -13.576   5.306
  440   3HZ   LYS  55           HZ3      LYS  55  -3.571 -12.443   4.042
  441    H    LYS  56           H        LYS  56   3.021  -8.132   1.812
  442    HA   LYS  56           HA       LYS  56   4.382  -9.243  -0.581
  443   1HB   LYS  56           HB1      LYS  56   2.803  -6.697  -0.005
  444   2HB   LYS  56           HB2      LYS  56   3.956  -6.700  -1.335
  445   1HG   LYS  56           HG1      LYS  56   2.905  -8.702  -2.340
  446   2HG   LYS  56           HG2      LYS  56   1.550  -8.589  -1.187
  447   1HD   LYS  56           HD1      LYS  56   2.166  -6.049  -2.970
  448   2HD   LYS  56           HD2      LYS  56   1.615  -7.543  -3.723
  449   1HE   LYS  56           HE1      LYS  56  -0.488  -7.703  -2.839
  450   2HE   LYS  56           HE2      LYS  56  -0.162  -6.683  -1.421
  451   1HZ   LYS  56           HZ1      LYS  56  -0.253  -5.741  -4.226
  452   2HZ   LYS  56           HZ2      LYS  56  -1.443  -5.534  -3.032
  453   3HZ   LYS  56           HZ3      LYS  56   0.070  -4.780  -2.864
  454    H    CYS  57           H        CYS  57   4.834  -7.098   2.261
  455    HA   CYS  57           HA       CYS  57   7.599  -6.410   1.297
  456   1HB   CYS  57           HB1      CYS  57   5.292  -4.869   2.555
  457   2HB   CYS  57           HB2      CYS  57   6.947  -4.263   2.816
  458    H    LEU  58           H        LEU  58   6.510  -8.516   3.649
  459    HA   LEU  58           HA       LEU  58   8.859  -7.730   5.306
  460   1HB   LEU  58           HB1      LEU  58   6.063  -8.067   6.359
  461   2HB   LEU  58           HB2      LEU  58   7.440  -8.547   7.412
  462    HG   LEU  58           HG       LEU  58   7.291  -5.781   6.177
  463   1HD1  LEU  58           HD11     LEU  58   5.306  -6.258   7.768
  464   2HD1  LEU  58           HD12     LEU  58   6.496  -6.737   9.029
  465   3HD1  LEU  58           HD13     LEU  58   6.465  -5.041   8.433
  466   1HD2  LEU  58           HD21     LEU  58   8.992  -7.040   8.421
  467   2HD2  LEU  58           HD22     LEU  58   9.567  -6.317   6.868
  468   3HD2  LEU  58           HD23     LEU  58   8.841  -5.273   8.137
  469    H    GLY  59           H        GLY  59   6.902 -10.319   3.955
  470   1HA   GLY  59           HA1      GLY  59   7.308 -12.426   3.613
  471   2HA   GLY  59           HA2      GLY  59   8.783 -12.379   4.675
  472    H    LYS  60           H        LYS  60   5.233 -11.826   5.015
  473    HA   LYS  60           HA       LYS  60   4.965 -13.969   6.923
  474   1HB   LYS  60           HB1      LYS  60   3.748 -12.141   8.487
  475   2HB   LYS  60           HB2      LYS  60   5.521 -12.368   8.637
  476   1HG   LYS  60           HG1      LYS  60   5.972 -10.382   7.173
  477   2HG   LYS  60           HG2      LYS  60   4.239 -10.098   6.997
  478   1HD   LYS  60           HD1      LYS  60   5.283  -8.623   8.591
  479   2HD   LYS  60           HD2      LYS  60   4.004  -9.597   9.386
  480   1HE   LYS  60           HE1      LYS  60   5.539 -10.980  10.518
  481   2HE   LYS  60           HE2      LYS  60   6.974 -10.404   9.542
  482   1HZ   LYS  60           HZ1      LYS  60   5.392  -8.760  11.449
  483   2HZ   LYS  60           HZ2      LYS  60   6.941  -9.406  11.712
  484   3HZ   LYS  60           HZ3      LYS  60   6.704  -8.229  10.511
   
  No H/Q in entry =         484
  Start of MODEL    2
    1    H    TRP   1           H        TRP   1  12.613 -13.042   3.570
    2    HA   TRP   1           HA       TRP   1  11.158 -12.594   1.275
    3   1HB   TRP   1           HB1      TRP   1   9.153 -12.259   2.516
    4   2HB   TRP   1           HB2      TRP   1   9.915 -11.361   3.842
    5    HD1  TRP   1           HD1      TRP   1   8.122 -10.606   0.507
    6    HE1  TRP   1           HE1      TRP   1   7.945  -8.174   0.288
    7    HE3  TRP   1           HE3      TRP   1  11.353  -9.274   4.291
    8    HZ2  TRP   1           HZ2      TRP   1   9.384  -5.867   1.242
    9    HZ3  TRP   1           HZ3      TRP   1  11.798  -6.883   4.645
   10    HH2  TRP   1           HH2      TRP   1  10.835  -5.188   3.139
   11    H    GLN   2           H        GLN   2  11.919 -10.712   0.245
   12    HA   GLN   2           HA       GLN   2  13.840  -8.939   1.475
   13   1HB   GLN   2           HB1      GLN   2  14.348 -10.697  -1.029
   14   2HB   GLN   2           HB2      GLN   2  15.302  -9.218  -0.660
   15   1HG   GLN   2           HG1      GLN   2  16.206 -10.271   1.430
   16   2HG   GLN   2           HG2      GLN   2  15.160 -11.708   1.186
   17   1HE2  GLN   2           HE21     GLN   2  18.272 -11.316  -1.453
   18   2HE2  GLN   2           HE22     GLN   2  17.555  -9.848  -0.842
   19    HA   PRO   3           HA       PRO   3  10.642  -6.818  -0.487
   20   1HB   PRO   3           HB1      PRO   3  11.642  -4.207  -1.064
   21   2HB   PRO   3           HB2      PRO   3  11.184  -4.908   0.519
   22   1HG   PRO   3           HG1      PRO   3  13.960  -4.865  -0.822
   23   2HG   PRO   3           HG2      PRO   3  13.581  -4.373   0.886
   24   1HD   PRO   3           HD1      PRO   3  14.611  -6.797   0.242
   25   2HD   PRO   3           HD2      PRO   3  13.338  -6.647   1.552
   26    HA   PRO   4           HA       PRO   4  10.875  -7.283  -5.027
   27   1HB   PRO   4           HB1      PRO   4   7.869  -7.834  -4.530
   28   2HB   PRO   4           HB2      PRO   4   9.060  -8.771  -5.524
   29   1HG   PRO   4           HG1      PRO   4   8.411  -9.738  -3.059
   30   2HG   PRO   4           HG2      PRO   4  10.125  -9.523  -3.451
   31   1HD   PRO   4           HD1      PRO   4   8.559  -7.225  -1.913
   32   2HD   PRO   4           HD2      PRO   4   9.851  -8.374  -1.472
   33    H    TRP   5           H        TRP   5   7.611  -6.358  -5.532
   34    HA   TRP   5           HA       TRP   5   8.307  -3.861  -6.698
   35   1HB   TRP   5           HB1      TRP   5   5.874  -3.796  -7.495
   36   2HB   TRP   5           HB2      TRP   5   6.945  -4.890  -8.190
   37    HD1  TRP   5           HD1      TRP   5   6.570  -7.602  -7.804
   38    HE1  TRP   5           HE1      TRP   5   4.132  -8.704  -7.653
   39    HE3  TRP   5           HE3      TRP   5   3.721  -3.853  -6.110
   40    HZ2  TRP   5           HZ2      TRP   5   1.457  -7.759  -7.984
   41    HZ3  TRP   5           HZ3      TRP   5   1.462  -3.673  -6.501
   42    HH2  TRP   5           HH2      TRP   5   0.180  -5.681  -7.431
   43    H    TYR   6           H        TYR   6   5.573  -4.850  -4.723
   44    HA   TYR   6           HA       TYR   6   4.081  -2.782  -4.205
   45   1HB   TYR   6           HB1      TYR   6   4.507  -4.533  -1.745
   46   2HB   TYR   6           HB2      TYR   6   3.026  -4.117  -2.657
   47    HD1  TYR   6           HD1      TYR   6   5.988  -6.185  -2.347
   48    HD2  TYR   6           HD2      TYR   6   2.371  -5.606  -4.511
   49    HE1  TYR   6           HE1      TYR   6   6.011  -8.648  -3.262
   50    HE2  TYR   6           HE2      TYR   6   2.425  -7.947  -5.334
   51    HH   TYR   6           HH       TYR   6   5.029 -10.197  -4.483
   52    H    CYS   7           H        CYS   7   6.690  -3.397  -1.894
   53    HA   CYS   7           HA       CYS   7   6.219  -1.408  -0.254
   54   1HB   CYS   7           HB1      CYS   7   9.124  -2.280  -0.670
   55   2HB   CYS   7           HB2      CYS   7   8.214  -2.022   0.841
   56    H    LYS   8           H        LYS   8   8.295  -1.331  -3.098
   57    HA   LYS   8           HA       LYS   8   9.297   1.381  -2.803
   58   1HB   LYS   8           HB1      LYS   8   9.704  -0.964  -4.774
   59   2HB   LYS   8           HB2      LYS   8  10.628   0.572  -4.894
   60   1HG   LYS   8           HG1      LYS   8  11.801   0.187  -2.892
   61   2HG   LYS   8           HG2      LYS   8  10.728  -1.136  -2.338
   62   1HD   LYS   8           HD1      LYS   8  11.392  -2.611  -4.133
   63   2HD   LYS   8           HD2      LYS   8  12.321  -1.317  -4.957
   64   1HE   LYS   8           HE1      LYS   8  13.051  -2.438  -2.167
   65   2HE   LYS   8           HE2      LYS   8  13.783  -2.986  -3.731
   66   1HZ   LYS   8           HZ1      LYS   8  14.510  -0.742  -4.134
   67   2HZ   LYS   8           HZ2      LYS   8  13.836  -0.214  -2.667
   68   3HZ   LYS   8           HZ3      LYS   8  15.116  -1.330  -2.660
   69    H    GLU   9           H        GLU   9   6.611  -0.201  -4.360
   70    HA   GLU   9           HA       GLU   9   6.512   1.072  -6.820
   71   1HB   GLU   9           HB1      GLU   9   5.669  -1.072  -6.372
   72   2HB   GLU   9           HB2      GLU   9   4.461  -0.492  -5.217
   73   1HG   GLU   9           HG1      GLU   9   4.254   0.627  -8.103
   74   2HG   GLU   9           HG2      GLU   9   4.161  -1.157  -7.905
   75    HA   PRO  10           HA       PRO  10   5.138   5.003  -5.506
   76   1HB   PRO  10           HB1      PRO  10   3.729   5.284  -8.226
   77   2HB   PRO  10           HB2      PRO  10   4.798   6.475  -7.385
   78   1HG   PRO  10           HG1      PRO  10   5.820   4.895  -9.325
   79   2HG   PRO  10           HG2      PRO  10   6.732   4.996  -7.764
   80   1HD   PRO  10           HD1      PRO  10   4.707   2.817  -8.581
   81   2HD   PRO  10           HD2      PRO  10   6.419   2.630  -7.989
   82    H    VAL  11           H        VAL  11   3.662   5.888  -4.097
   83    HA   VAL  11           HA       VAL  11   0.952   5.050  -3.912
   84    HB   VAL  11           HB       VAL  11   2.314   5.300  -1.990
   85   1HG1  VAL  11           HG11     VAL  11   3.878   7.154  -2.635
   86   2HG1  VAL  11           HG12     VAL  11   2.509   8.329  -2.649
   87   3HG1  VAL  11           HG13     VAL  11   3.023   7.565  -1.113
   88   1HG2  VAL  11           HG21     VAL  11  -0.126   5.573  -1.750
   89   2HG2  VAL  11           HG22     VAL  11   0.762   6.595  -0.583
   90   3HG2  VAL  11           HG23     VAL  11  -0.005   7.364  -2.008
   91    H    ARG  12           H        ARG  12  -0.895   5.952  -4.739
   92    HA   ARG  12           HA       ARG  12  -0.977   8.716  -5.808
   93   1HB   ARG  12           HB1      ARG  12  -1.078   6.179  -7.193
   94   2HB   ARG  12           HB2      ARG  12  -2.121   7.486  -7.863
   95   1HG   ARG  12           HG1      ARG  12   0.714   8.321  -7.253
   96   2HG   ARG  12           HG2      ARG  12   0.368   7.117  -8.489
   97   1HD   ARG  12           HD1      ARG  12   0.271   9.521  -9.458
   98   2HD   ARG  12           HD2      ARG  12  -1.380   8.774  -9.476
   99    HE   ARG  12           HE       ARG  12  -0.428  10.442  -7.088
  100   1HH1  ARG  12           HH11     ARG  12  -2.880   9.923  -9.515
  101   2HH1  ARG  12           HH12     ARG  12  -3.849  11.222  -8.895
  102   1HH2  ARG  12           HH21     ARG  12  -1.659  12.038  -6.395
  103   2HH2  ARG  12           HH22     ARG  12  -3.232  12.281  -7.021
  104    H    ILE  13           H        ILE  13  -3.199   9.621  -5.240
  105    HA   ILE  13           HA       ILE  13  -5.160   7.717  -4.249
  106    HB   ILE  13           HB       ILE  13  -4.476   9.745  -3.023
  107   1HG1  ILE  13           HG11     ILE  13  -7.432   9.031  -3.485
  108   2HG1  ILE  13           HG12     ILE  13  -6.202   8.143  -2.521
  109   1HG2  ILE  13           HG21     ILE  13  -4.859  11.566  -4.756
  110   2HG2  ILE  13           HG22     ILE  13  -6.635  11.109  -4.717
  111   3HG2  ILE  13           HG23     ILE  13  -5.815  11.761  -3.276
  112   1HD1  ILE  13           HD11     ILE  13  -7.227  10.986  -1.846
  113   2HD1  ILE  13           HD12     ILE  13  -7.815   9.465  -1.077
  114   3HD1  ILE  13           HD13     ILE  13  -6.097   9.974  -0.853
  115    H    GLY  14           H        GLY  14  -5.150  10.066  -6.927
  116   1HA   GLY  14           HA1      GLY  14  -6.515  10.074  -8.850
  117   2HA   GLY  14           HA2      GLY  14  -7.409   8.680  -8.184
  118    H    SER  15           H        SER  15  -9.228   9.978  -9.280
  119    HA   SER  15           HA       SER  15 -10.875  11.207  -7.340
  120   1HB   SER  15           HB1      SER  15  -9.636  13.133  -9.415
  121   2HB   SER  15           HB2      SER  15 -11.235  13.460  -8.653
  122    HG   SER  15           HG       SER  15  -9.012  12.837  -7.030
  123    H    CYS  16           H        CYS  16 -11.815   9.266  -8.094
  124    HA   CYS  16           HA       CYS  16 -13.159   9.527 -10.741
  125   1HB   CYS  16           HB1      CYS  16 -11.142   7.915 -10.460
  126   2HB   CYS  16           HB2      CYS  16 -12.208   6.833  -9.552
  127    H    LYS  17           H        LYS  17 -13.339   7.345  -7.983
  128    HA   LYS  17           HA       LYS  17 -16.291   7.427  -8.126
  129   1HB   LYS  17           HB1      LYS  17 -14.332   5.509  -6.773
  130   2HB   LYS  17           HB2      LYS  17 -16.116   5.321  -6.693
  131   1HG   LYS  17           HG1      LYS  17 -14.415   5.327  -9.266
  132   2HG   LYS  17           HG2      LYS  17 -14.890   3.865  -8.365
  133   1HD   LYS  17           HD1      LYS  17 -16.846   5.874  -9.703
  134   2HD   LYS  17           HD2      LYS  17 -16.328   4.292 -10.368
  135   1HE   LYS  17           HE1      LYS  17 -17.414   3.108  -8.420
  136   2HE   LYS  17           HE2      LYS  17 -17.995   4.704  -7.788
  137   1HZ   LYS  17           HZ1      LYS  17 -18.635   3.540 -10.440
  138   2HZ   LYS  17           HZ2      LYS  17 -19.651   3.597  -9.081
  139   3HZ   LYS  17           HZ3      LYS  17 -19.170   5.037  -9.844
  140    H    LYS  18           H        LYS  18 -14.254   6.871  -5.268
  141    HA   LYS  18           HA       LYS  18 -15.270   9.247  -3.939
  142   1HB   LYS  18           HB1      LYS  18 -16.506   8.203  -2.162
  143   2HB   LYS  18           HB2      LYS  18 -17.070   7.420  -3.661
  144   1HG   LYS  18           HG1      LYS  18 -15.468   5.505  -3.181
  145   2HG   LYS  18           HG2      LYS  18 -15.354   6.124  -1.517
  146   1HD   LYS  18           HD1      LYS  18 -17.964   5.320  -2.914
  147   2HD   LYS  18           HD2      LYS  18 -17.080   4.392  -1.645
  148   1HE   LYS  18           HE1      LYS  18 -18.355   7.170  -1.167
  149   2HE   LYS  18           HE2      LYS  18 -19.096   5.574  -0.753
  150   1HZ   LYS  18           HZ1      LYS  18 -17.228   5.106   0.657
  151   2HZ   LYS  18           HZ2      LYS  18 -16.508   6.597   0.274
  152   3HZ   LYS  18           HZ3      LYS  18 -17.988   6.557   1.107
  153    H    GLN  19           H        GLN  19 -14.221   7.804  -1.359
  154    HA   GLN  19           HA       GLN  19 -11.455   7.305  -2.186
  155   1HB   GLN  19           HB1      GLN  19 -11.848   8.593   0.543
  156   2HB   GLN  19           HB2      GLN  19 -10.489   8.580  -0.616
  157   1HG   GLN  19           HG1      GLN  19 -12.915  10.473  -0.570
  158   2HG   GLN  19           HG2      GLN  19 -11.207  10.830  -0.241
  159   1HE2  GLN  19           HE21     GLN  19 -10.372  10.878  -3.813
  160   2HE2  GLN  19           HE22     GLN  19  -9.709  10.158  -2.361
  161    H    PHE  20           H        PHE  20 -11.375   5.055  -1.877
  162    HA   PHE  20           HA       PHE  20 -13.174   3.759   0.036
  163   1HB   PHE  20           HB1      PHE  20 -11.189   2.383  -1.891
  164   2HB   PHE  20           HB2      PHE  20 -12.572   1.693  -1.049
  165    HD1  PHE  20           HD1      PHE  20 -14.951   2.589  -1.568
  166    HD2  PHE  20           HD2      PHE  20 -11.592   3.168  -4.270
  167    HE1  PHE  20           HE1      PHE  20 -16.482   2.854  -3.503
  168    HE2  PHE  20           HE2      PHE  20 -13.113   3.394  -6.107
  169    HZ   PHE  20           HZ       PHE  20 -15.580   3.225  -5.756
  170    H    SER  21           H        SER  21 -12.292   2.508   1.852
  171    HA   SER  21           HA       SER  21  -9.959   3.476   3.069
  172   1HB   SER  21           HB1      SER  21 -12.107   2.529   4.132
  173   2HB   SER  21           HB2      SER  21 -11.471   0.880   3.856
  174    HG   SER  21           HG       SER  21  -9.634   1.596   5.197
  175    H    SER  22           H        SER  22  -7.774   3.030   2.560
  176    HA   SER  22           HA       SER  22  -7.068   0.209   2.049
  177   1HB   SER  22           HB1      SER  22  -5.590   0.736   0.346
  178   2HB   SER  22           HB2      SER  22  -6.753   2.024  -0.008
  179    HG   SER  22           HG       SER  22  -5.180   3.097   1.727
  180    H    PHE  23           H        PHE  23  -4.481   0.398   2.043
  181    HA   PHE  23           HA       PHE  23  -3.243   1.722   4.302
  182   1HB   PHE  23           HB1      PHE  23  -3.572  -1.373   4.043
  183   2HB   PHE  23           HB2      PHE  23  -2.080  -0.671   4.759
  184    HD1  PHE  23           HD1      PHE  23  -2.193   0.845   6.732
  185    HD2  PHE  23           HD2      PHE  23  -5.612  -1.376   5.379
  186    HE1  PHE  23           HE1      PHE  23  -3.241   1.146   8.942
  187    HE2  PHE  23           HE2      PHE  23  -6.673  -1.104   7.622
  188    HZ   PHE  23           HZ       PHE  23  -5.493   0.163   9.400
  189    H    TYR  24           H        TYR  24  -1.064   2.320   3.473
  190    HA   TYR  24           HA       TYR  24  -0.181   0.748   1.087
  191   1HB   TYR  24           HB1      TYR  24   0.673   2.454  -0.116
  192   2HB   TYR  24           HB2      TYR  24  -0.907   3.090   0.420
  193    HD1  TYR  24           HD1      TYR  24  -0.858   4.942   2.324
  194    HD2  TYR  24           HD2      TYR  24   2.664   3.527   0.292
  195    HE1  TYR  24           HE1      TYR  24   0.303   7.007   2.927
  196    HE2  TYR  24           HE2      TYR  24   3.887   5.557   1.016
  197    HH   TYR  24           HH       TYR  24   2.332   8.176   2.809
  198    H    PHE  25           H        PHE  25   2.226   0.360   0.882
  199    HA   PHE  25           HA       PHE  25   3.377   0.196   3.607
  200   1HB   PHE  25           HB1      PHE  25   3.259  -1.898   2.013
  201   2HB   PHE  25           HB2      PHE  25   4.529  -1.117   1.047
  202    HD1  PHE  25           HD1      PHE  25   6.820  -0.675   2.270
  203    HD2  PHE  25           HD2      PHE  25   3.676  -3.097   4.085
  204    HE1  PHE  25           HE1      PHE  25   8.399  -1.718   3.928
  205    HE2  PHE  25           HE2      PHE  25   5.145  -3.838   5.711
  206    HZ   PHE  25           HZ       PHE  25   7.582  -3.241   5.626
  207    H    LYS  26           H        LYS  26   4.838   1.834   4.272
  208    HA   LYS  26           HA       LYS  26   5.867   3.630   2.274
  209   1HB   LYS  26           HB1      LYS  26   4.796   4.261   4.445
  210   2HB   LYS  26           HB2      LYS  26   6.417   4.009   5.174
  211   1HG   LYS  26           HG1      LYS  26   7.337   5.450   3.177
  212   2HG   LYS  26           HG2      LYS  26   5.584   5.505   2.704
  213   1HD   LYS  26           HD1      LYS  26   5.263   7.235   3.968
  214   2HD   LYS  26           HD2      LYS  26   5.670   6.161   5.370
  215   1HE   LYS  26           HE1      LYS  26   7.062   8.200   5.589
  216   2HE   LYS  26           HE2      LYS  26   8.074   6.737   5.225
  217   1HZ   LYS  26           HZ2      LYS  26   7.163   8.794   3.263
  218   2HZ   LYS  26           HZ3      LYS  26   8.718   8.669   3.935
  219   3HZ   LYS  26           HZ1      LYS  26   8.130   7.440   2.921
  220    H    TRP  27           H        TRP  27   7.711   2.749   1.290
  221    HA   TRP  27           HA       TRP  27   9.376   0.726   2.056
  222   1HB   TRP  27           HB1      TRP  27   9.448   1.173  -0.134
  223   2HB   TRP  27           HB2      TRP  27   9.277   2.937   0.041
  224    HD1  TRP  27           HD1      TRP  27  11.491   4.155  -0.842
  225    HE1  TRP  27           HE1      TRP  27  13.918   3.370  -1.277
  226    HE3  TRP  27           HE3      TRP  27  11.047  -0.528   0.887
  227    HZ2  TRP  27           HZ2      TRP  27  15.518   1.065  -0.689
  228    HZ3  TRP  27           HZ3      TRP  27  13.029  -2.027   1.012
  229    HH2  TRP  27           HH2      TRP  27  15.253  -1.239   0.226
  230    H    THR  28           H        THR  28   9.853   4.149   2.818
  231    HA   THR  28           HA       THR  28  12.460   3.951   3.868
  232    HB   THR  28           HB       THR  28  11.708   6.478   4.430
  233    HG1  THR  28           HG1      THR  28   9.846   6.984   3.180
  234   1HG2  THR  28           HG21     THR  28  11.735   5.312   1.556
  235   2HG2  THR  28           HG22     THR  28  12.034   7.032   2.008
  236   3HG2  THR  28           HG23     THR  28  13.187   5.747   2.521
  237    H    ALA  29           H        ALA  29   9.157   3.823   5.232
  238    HA   ALA  29           HA       ALA  29  10.078   4.198   7.989
  239   1HB   ALA  29           HB1      ALA  29   7.820   5.083   7.270
  240   2HB   ALA  29           HB2      ALA  29   7.277   3.405   6.907
  241   3HB   ALA  29           HB3      ALA  29   7.667   3.895   8.594
  242    H    LYS  30           H        LYS  30   9.040   1.642   5.801
  243    HA   LYS  30           HA       LYS  30   9.267  -0.491   5.731
  244   1HB   LYS  30           HB1      LYS  30  11.445  -0.016   7.309
  245   2HB   LYS  30           HB2      LYS  30  10.600  -1.256   8.265
  246   1HG   LYS  30           HG1      LYS  30  12.127  -2.326   6.800
  247   2HG   LYS  30           HG2      LYS  30  10.532  -2.690   6.064
  248   1HD   LYS  30           HD1      LYS  30  10.973  -1.106   4.227
  249   2HD   LYS  30           HD2      LYS  30  12.191  -0.248   5.197
  250   1HE   LYS  30           HE1      LYS  30  13.369  -1.392   3.452
  251   2HE   LYS  30           HE2      LYS  30  13.785  -2.157   5.035
  252   1HZ   LYS  30           HZ1      LYS  30  11.843  -3.190   3.029
  253   2HZ   LYS  30           HZ2      LYS  30  13.416  -3.768   3.310
  254   3HZ   LYS  30           HZ3      LYS  30  12.228  -3.920   4.514
  255    H    LYS  31           H        LYS  31   7.012   0.876   6.872
  256    HA   LYS  31           HA       LYS  31   5.545  -1.452   7.661
  257   1HB   LYS  31           HB1      LYS  31   6.431   0.203   9.729
  258   2HB   LYS  31           HB2      LYS  31   4.787   0.830   9.529
  259   1HG   LYS  31           HG1      LYS  31   5.642  -2.124  10.021
  260   2HG   LYS  31           HG2      LYS  31   5.151  -0.932  11.269
  261   1HD   LYS  31           HD1      LYS  31   2.848  -0.792  10.171
  262   2HD   LYS  31           HD2      LYS  31   3.332  -2.192   9.133
  263   1HE   LYS  31           HE1      LYS  31   3.681  -3.582  11.212
  264   2HE   LYS  31           HE2      LYS  31   3.174  -2.172  12.228
  265   1HZ   LYS  31           HZ1      LYS  31   1.039  -2.202  11.114
  266   2HZ   LYS  31           HZ2      LYS  31   1.509  -3.532  10.168
  267   3HZ   LYS  31           HZ3      LYS  31   1.372  -3.694  11.853
  268    H    CYS  32           H        CYS  32   3.105  -0.695   8.026
  269    HA   CYS  32           HA       CYS  32   2.246   0.404   5.499
  270   1HB   CYS  32           HB1      CYS  32   0.740  -1.134   7.733
  271   2HB   CYS  32           HB2      CYS  32   0.070  -0.818   6.079
  272    H    LEU  33           H        LEU  33   1.372   2.427   5.243
  273    HA   LEU  33           HA       LEU  33   0.383   3.858   7.656
  274   1HB   LEU  33           HB1      LEU  33   1.026   5.102   4.922
  275   2HB   LEU  33           HB2      LEU  33   0.601   5.939   6.445
  276    HG   LEU  33           HG       LEU  33   3.224   4.536   5.726
  277   1HD1  LEU  33           HD11     LEU  33   2.283   7.388   6.438
  278   2HD1  LEU  33           HD12     LEU  33   4.008   6.926   6.371
  279   3HD1  LEU  33           HD13     LEU  33   2.984   6.791   4.883
  280   1HD2  LEU  33           HD21     LEU  33   2.687   3.945   8.150
  281   2HD2  LEU  33           HD22     LEU  33   4.053   5.109   8.012
  282   3HD2  LEU  33           HD23     LEU  33   2.421   5.692   8.487
  283    HA   PRO  34           HA       PRO  34  -3.685   3.475   5.479
  284   1HB   PRO  34           HB1      PRO  34  -5.298   4.875   7.228
  285   2HB   PRO  34           HB2      PRO  34  -4.455   3.372   7.736
  286   1HG   PRO  34           HG1      PRO  34  -3.576   6.268   8.254
  287   2HG   PRO  34           HG2      PRO  34  -3.705   4.923   9.457
  288   1HD   PRO  34           HD1      PRO  34  -1.324   5.677   8.057
  289   2HD   PRO  34           HD2      PRO  34  -1.641   4.006   8.736
  290    H    PHE  35           H        PHE  35  -4.293   4.342   3.720
  291    HA   PHE  35           HA       PHE  35  -4.944   7.142   3.602
  292   1HB   PHE  35           HB1      PHE  35  -3.687   7.990   1.879
  293   2HB   PHE  35           HB2      PHE  35  -2.459   6.930   2.603
  294    HD1  PHE  35           HD1      PHE  35  -3.053   4.277   1.553
  295    HD2  PHE  35           HD2      PHE  35  -3.445   8.064  -0.517
  296    HE1  PHE  35           HE1      PHE  35  -3.018   3.164  -0.502
  297    HE2  PHE  35           HE2      PHE  35  -3.318   6.827  -2.684
  298    HZ   PHE  35           HZ       PHE  35  -3.372   4.338  -2.633
  299    H    LEU  36           H        LEU  36  -6.258   7.240   1.190
  300    HA   LEU  36           HA       LEU  36  -7.907   4.821   1.125
  301   1HB   LEU  36           HB1      LEU  36  -8.650   7.818   0.672
  302   2HB   LEU  36           HB2      LEU  36  -9.697   6.422   0.489
  303    HG   LEU  36           HG       LEU  36  -8.604   6.341   3.185
  304   1HD1  LEU  36           HD11     LEU  36  -8.070   8.749   2.898
  305   2HD1  LEU  36           HD12     LEU  36  -9.765   9.080   2.363
  306   3HD1  LEU  36           HD13     LEU  36  -9.437   8.545   4.052
  307   1HD2  LEU  36           HD21     LEU  36 -10.827   5.408   2.611
  308   2HD2  LEU  36           HD22     LEU  36 -10.935   6.614   3.921
  309   3HD2  LEU  36           HD23     LEU  36 -11.470   7.058   2.267
  310    H    PHE  37           H        PHE  37  -8.863   4.585  -1.004
  311    HA   PHE  37           HA       PHE  37  -7.171   5.592  -3.295
  312   1HB   PHE  37           HB1      PHE  37  -6.760   3.245  -2.624
  313   2HB   PHE  37           HB2      PHE  37  -8.546   2.884  -2.684
  314    HD1  PHE  37           HD1      PHE  37  -6.062   4.487  -5.176
  315    HD2  PHE  37           HD2      PHE  37  -9.014   1.432  -4.379
  316    HE1  PHE  37           HE1      PHE  37  -5.724   3.523  -7.422
  317    HE2  PHE  37           HE2      PHE  37  -8.728   0.582  -6.691
  318    HZ   PHE  37           HZ       PHE  37  -6.985   1.567  -8.155
  319    H    SER  38           H        SER  38  -8.336   6.662  -5.136
  320    HA   SER  38           HA       SER  38 -11.271   6.584  -4.948
  321   1HB   SER  38           HB1      SER  38  -9.854   8.701  -5.401
  322   2HB   SER  38           HB2      SER  38  -9.726   8.123  -7.089
  323    HG   SER  38           HG       SER  38 -12.129   8.574  -5.547
  324    H    GLY  39           H        GLY  39  -8.813   4.930  -6.819
  325   1HA   GLY  39           HA1      GLY  39  -9.438   2.902  -7.717
  326   2HA   GLY  39           HA2      GLY  39 -10.897   3.482  -8.378
  327    H    CYS  40           H        CYS  40 -10.149   5.699  -9.798
  328    HA   CYS  40           HA       CYS  40  -8.270   4.722 -11.858
  329   1HB   CYS  40           HB1      CYS  40 -10.018   7.144 -12.453
  330   2HB   CYS  40           HB2      CYS  40  -9.543   5.769 -13.477
  331    H    GLY  41           H        GLY  41  -6.199   5.644 -11.675
  332   1HA   GLY  41           HA1      GLY  41  -5.214   8.018 -11.705
  333   2HA   GLY  41           HA2      GLY  41  -6.025   8.196 -10.110
  334    H    GLY  42           H        GLY  42  -5.639   5.657  -8.980
  335   1HA   GLY  42           HA1      GLY  42  -2.713   5.610  -8.616
  336   2HA   GLY  42           HA2      GLY  42  -3.981   4.862  -7.600
  337    H    ASN  43           H        ASN  43  -2.306   3.054  -7.689
  338    HA   ASN  43           HA       ASN  43  -3.068   1.328  -9.942
  339   1HB   ASN  43           HB1      ASN  43  -0.870   0.654 -10.610
  340   2HB   ASN  43           HB2      ASN  43  -1.100   2.431 -10.791
  341   1HD2  ASN  43           HD21     ASN  43   1.327   3.182  -8.125
  342   2HD2  ASN  43           HD22     ASN  43  -0.045   3.831  -8.962
  343    H    ALA  44           H        ALA  44  -0.553   0.187  -7.632
  344    HA   ALA  44           HA       ALA  44  -2.703  -1.394  -6.352
  345   1HB   ALA  44           HB1      ALA  44  -0.721  -2.627  -8.317
  346   2HB   ALA  44           HB2      ALA  44  -1.806  -3.588  -7.205
  347   3HB   ALA  44           HB3      ALA  44  -2.491  -2.535  -8.472
  348    H    ASN  45           H        ASN  45  -0.472   0.369  -5.357
  349    HA   ASN  45           HA       ASN  45   0.790  -1.549  -3.412
  350   1HB   ASN  45           HB1      ASN  45   2.427   0.029  -4.325
  351   2HB   ASN  45           HB2      ASN  45   1.446   1.451  -3.891
  352   1HD2  ASN  45           HD21     ASN  45   3.982   1.535  -1.304
  353   2HD2  ASN  45           HD22     ASN  45   3.732   1.981  -2.995
  354    H    ARG  46           H        ARG  46  -2.040  -1.304  -3.208
  355    HA   ARG  46           HA       ARG  46  -2.469   0.193  -0.796
  356   1HB   ARG  46           HB1      ARG  46  -4.442   1.427  -1.498
  357   2HB   ARG  46           HB2      ARG  46  -3.006   1.916  -2.445
  358   1HG   ARG  46           HG1      ARG  46  -4.916  -0.072  -3.684
  359   2HG   ARG  46           HG2      ARG  46  -5.312   1.674  -3.635
  360   1HD   ARG  46           HD1      ARG  46  -2.763   0.538  -4.888
  361   2HD   ARG  46           HD2      ARG  46  -4.251   1.054  -5.766
  362    HE   ARG  46           HE       ARG  46  -3.930   3.348  -4.947
  363   1HH1  ARG  46           HH11     ARG  46  -0.875   1.960  -4.409
  364   2HH1  ARG  46           HH12     ARG  46  -0.087   2.901  -5.613
  365   1HH2  ARG  46           HH21     ARG  46  -2.776   4.956  -5.753
  366   2HH2  ARG  46           HH22     ARG  46  -1.195   4.642  -6.344
  367    H    PHE  47           H        PHE  47  -3.254  -0.964   0.485
  368    HA   PHE  47           HA       PHE  47  -4.198  -3.627  -0.265
  369   1HB   PHE  47           HB1      PHE  47  -2.852  -2.459   2.294
  370   2HB   PHE  47           HB2      PHE  47  -3.000  -4.207   1.914
  371    HD1  PHE  47           HD1      PHE  47  -2.086  -4.482  -0.918
  372    HD2  PHE  47           HD2      PHE  47  -0.642  -1.645   1.989
  373    HE1  PHE  47           HE1      PHE  47   0.036  -4.254  -2.139
  374    HE2  PHE  47           HE2      PHE  47   1.462  -1.527   0.781
  375    HZ   PHE  47           HZ       PHE  47   1.823  -2.775  -1.276
  376    H    GLN  48           H        GLN  48  -6.103  -4.338   0.278
  377    HA   GLN  48           HA       GLN  48  -8.087  -2.432   0.926
  378   1HB   GLN  48           HB1      GLN  48  -8.322  -5.472   0.565
  379   2HB   GLN  48           HB2      GLN  48  -9.692  -4.316   0.597
  380   1HG   GLN  48           HG1      GLN  48  -9.226  -4.878  -1.722
  381   2HG   GLN  48           HG2      GLN  48  -8.823  -3.145  -1.446
  382   1HE2  GLN  48           HE21     GLN  48  -5.539  -3.581  -2.665
  383   2HE2  GLN  48           HE22     GLN  48  -7.023  -2.779  -2.892
  384    H    THR  49           H        THR  49  -6.517  -4.789   3.015
  385    HA   THR  49           HA       THR  49  -7.688  -3.617   5.371
  386    HB   THR  49           HB       THR  49  -7.941  -6.077   6.335
  387    HG1  THR  49           HG1      THR  49  -8.915  -7.310   4.534
  388   1HG2  THR  49           HG21     THR  49  -9.835  -4.453   6.079
  389   2HG2  THR  49           HG22     THR  49 -10.070  -4.991   4.378
  390   3HG2  THR  49           HG23     THR  49 -10.327  -6.142   5.735
  391    H    ILE  50           H        ILE  50  -6.234  -4.529   7.322
  392    HA   ILE  50           HA       ILE  50  -3.500  -4.569   6.424
  393    HB   ILE  50           HB       ILE  50  -4.585  -3.143   8.341
  394   1HG1  ILE  50           HG11     ILE  50  -1.755  -4.272   8.646
  395   2HG1  ILE  50           HG12     ILE  50  -2.261  -2.997   7.471
  396   1HG2  ILE  50           HG21     ILE  50  -5.363  -5.146   9.718
  397   2HG2  ILE  50           HG22     ILE  50  -3.627  -5.591   9.951
  398   3HG2  ILE  50           HG23     ILE  50  -4.263  -4.050  10.620
  399   1HD1  ILE  50           HD11     ILE  50  -3.004  -1.596   9.465
  400   2HD1  ILE  50           HD12     ILE  50  -2.350  -2.874  10.553
  401   3HD1  ILE  50           HD13     ILE  50  -1.247  -1.992   9.445
  402    H    GLY  51           H        GLY  51  -1.976  -6.396   6.774
  403   1HA   GLY  51           HA1      GLY  51  -1.840  -8.761   7.232
  404   2HA   GLY  51           HA2      GLY  51  -3.553  -8.851   6.650
  405    H    GLU  52           H        GLU  52  -3.661  -7.122   4.545
  406    HA   GLU  52           HA       GLU  52  -2.282  -8.583   2.519
  407   1HB   GLU  52           HB1      GLU  52  -4.653  -8.011   2.353
  408   2HB   GLU  52           HB2      GLU  52  -4.271  -6.271   2.436
  409   1HG   GLU  52           HG1      GLU  52  -4.926  -6.995   0.128
  410   2HG   GLU  52           HG2      GLU  52  -3.345  -6.272   0.174
  411    H    CYS  53           H        CYS  53  -1.497  -5.641   4.104
  412    HA   CYS  53           HA       CYS  53   0.174  -4.432   2.077
  413   1HB   CYS  53           HB1      CYS  53  -1.033  -3.119   4.010
  414   2HB   CYS  53           HB2      CYS  53  -0.121  -4.033   5.156
  415    H    ARG  54           H        ARG  54   0.547  -6.204   4.858
  416    HA   ARG  54           HA       ARG  54   3.350  -6.515   5.194
  417   1HB   ARG  54           HB1      ARG  54   0.815  -7.647   6.501
  418   2HB   ARG  54           HB2      ARG  54   2.454  -8.036   7.085
  419   1HG   ARG  54           HG1      ARG  54   2.969  -5.610   7.373
  420   2HG   ARG  54           HG2      ARG  54   1.298  -5.170   6.859
  421   1HD   ARG  54           HD1      ARG  54   2.141  -6.625   9.435
  422   2HD   ARG  54           HD2      ARG  54   1.522  -4.932   9.215
  423    HE   ARG  54           HE       ARG  54  -0.141  -7.292   8.374
  424   1HH1  ARG  54           HH11     ARG  54   0.169  -4.716  10.799
  425   2HH1  ARG  54           HH12     ARG  54  -1.043  -5.450  11.797
  426   1HH2  ARG  54           HH21     ARG  54  -1.610  -8.128   9.666
  427   2HH2  ARG  54           HH22     ARG  54  -2.066  -7.354  11.145
  428    H    LYS  55           H        LYS  55   0.726  -8.802   4.003
  429    HA   LYS  55           HA       LYS  55   2.712 -10.821   3.280
  430   1HB   LYS  55           HB1      LYS  55   0.440 -11.306   4.220
  431   2HB   LYS  55           HB2      LYS  55  -0.310 -10.686   2.715
  432   1HG   LYS  55           HG1      LYS  55   1.064 -12.514   1.467
  433   2HG   LYS  55           HG2      LYS  55   1.515 -13.159   3.089
  434   1HD   LYS  55           HD1      LYS  55  -0.900 -13.620   3.547
  435   2HD   LYS  55           HD2      LYS  55  -1.360 -12.686   2.075
  436   1HE   LYS  55           HE1      LYS  55  -0.108 -14.420   0.655
  437   2HE   LYS  55           HE2      LYS  55   0.046 -15.434   2.146
  438   1HZ   LYS  55           HZ1      LYS  55  -2.485 -14.438   0.919
  439   2HZ   LYS  55           HZ2      LYS  55  -1.867 -16.016   0.816
  440   3HZ   LYS  55           HZ3      LYS  55  -2.368 -15.397   2.315
  441    H    LYS  56           H        LYS  56   3.600  -8.777   2.127
  442    HA   LYS  56           HA       LYS  56   3.821  -9.201  -0.649
  443   1HB   LYS  56           HB1      LYS  56   2.228  -6.677   0.188
  444   2HB   LYS  56           HB2      LYS  56   3.265  -6.671  -1.262
  445   1HG   LYS  56           HG1      LYS  56   2.165  -8.735  -2.047
  446   2HG   LYS  56           HG2      LYS  56   0.863  -8.490  -0.863
  447   1HD   LYS  56           HD1      LYS  56   1.282  -6.108  -2.797
  448   2HD   LYS  56           HD2      LYS  56   0.720  -7.671  -3.424
  449   1HE   LYS  56           HE1      LYS  56  -1.167  -7.957  -1.900
  450   2HE   LYS  56           HE2      LYS  56  -0.811  -6.420  -1.067
  451   1HZ   LYS  56           HZ1      LYS  56  -1.462  -6.733  -3.948
  452   2HZ   LYS  56           HZ2      LYS  56  -2.494  -6.180  -2.716
  453   3HZ   LYS  56           HZ3      LYS  56  -1.130  -5.268  -3.154
  454    H    CYS  57           H        CYS  57   4.259  -6.958   2.163
  455    HA   CYS  57           HA       CYS  57   7.059  -6.473   1.215
  456   1HB   CYS  57           HB1      CYS  57   4.946  -4.733   2.535
  457   2HB   CYS  57           HB2      CYS  57   6.678  -4.238   2.549
  458    H    LEU  58           H        LEU  58   5.798  -8.307   3.989
  459    HA   LEU  58           HA       LEU  58   8.387  -7.454   5.285
  460   1HB   LEU  58           HB1      LEU  58   5.705  -7.496   6.619
  461   2HB   LEU  58           HB2      LEU  58   7.170  -7.846   7.595
  462    HG   LEU  58           HG       LEU  58   6.782  -5.362   5.970
  463   1HD1  LEU  58           HD11     LEU  58   5.203  -5.544   8.018
  464   2HD1  LEU  58           HD12     LEU  58   6.637  -5.899   9.040
  465   3HD1  LEU  58           HD13     LEU  58   6.472  -4.275   8.297
  466   1HD2  LEU  58           HD21     LEU  58   8.997  -6.037   7.958
  467   2HD2  LEU  58           HD22     LEU  58   9.168  -5.711   6.184
  468   3HD2  LEU  58           HD23     LEU  58   8.655  -4.395   7.276
  469    H    GLY  59           H        GLY  59   6.670 -10.056   4.083
  470   1HA   GLY  59           HA1      GLY  59   6.802 -12.219   4.133
  471   2HA   GLY  59           HA2      GLY  59   8.363 -12.104   5.063
  472    H    LYS  60           H        LYS  60   4.826 -11.585   5.532
  473    HA   LYS  60           HA       LYS  60   4.560 -13.339   7.729
  474   1HB   LYS  60           HB1      LYS  60   3.517 -11.341   9.038
  475   2HB   LYS  60           HB2      LYS  60   5.317 -11.368   9.063
  476   1HG   LYS  60           HG1      LYS  60   5.491  -9.581   7.423
  477   2HG   LYS  60           HG2      LYS  60   3.771  -9.614   7.033
  478   1HD   LYS  60           HD1      LYS  60   4.272  -7.721   8.476
  479   2HD   LYS  60           HD2      LYS  60   3.094  -8.859   9.233
  480   1HE   LYS  60           HE1      LYS  60   4.614  -7.881  10.853
  481   2HE   LYS  60           HE2      LYS  60   4.843  -9.681  10.808
  482   1HZ   LYS  60           HZ1      LYS  60   6.550  -7.632   9.488
  483   2HZ   LYS  60           HZ2      LYS  60   6.918  -8.505  10.898
  484   3HZ   LYS  60           HZ3      LYS  60   6.775  -9.313   9.411
   
  No H/Q in entry =         484
  Start of MODEL    3
    1    H    TRP   1           H        TRP   1  12.875 -13.038   3.994
    2    HA   TRP   1           HA       TRP   1  11.647 -12.536   1.546
    3   1HB   TRP   1           HB1      TRP   1   9.554 -12.295   2.649
    4   2HB   TRP   1           HB2      TRP   1  10.168 -11.411   4.054
    5    HD1  TRP   1           HD1      TRP   1   8.441 -10.553   0.771
    6    HE1  TRP   1           HE1      TRP   1   8.316  -8.123   0.590
    7    HE3  TRP   1           HE3      TRP   1  11.639  -9.366   4.637
    8    HZ2  TRP   1           HZ2      TRP   1   9.679  -5.851   1.711
    9    HZ3  TRP   1           HZ3      TRP   1  12.159  -6.998   5.020
   10    HH2  TRP   1           HH2      TRP   1  11.189  -5.248   3.559
   11    H    GLN   2           H        GLN   2  12.437 -10.585   0.600
   12    HA   GLN   2           HA       GLN   2  14.085  -8.690   1.980
   13   1HB   GLN   2           HB1      GLN   2  14.941 -10.292  -0.541
   14   2HB   GLN   2           HB2      GLN   2  15.682  -8.769  -0.017
   15   1HG   GLN   2           HG1      GLN   2  15.788 -11.428   1.570
   16   2HG   GLN   2           HG2      GLN   2  17.104 -10.713   0.576
   17   1HE2  GLN   2           HE21     GLN   2  16.373  -9.126   4.296
   18   2HE2  GLN   2           HE22     GLN   2  15.136 -10.145   3.571
   19    HA   PRO   3           HA       PRO   3  10.937  -6.920  -0.172
   20   1HB   PRO   3           HB1      PRO   3  11.225  -4.366  -0.453
   21   2HB   PRO   3           HB2      PRO   3  11.478  -5.080   1.062
   22   1HG   PRO   3           HG1      PRO   3  13.966  -4.704  -0.639
   23   2HG   PRO   3           HG2      PRO   3  13.699  -4.088   1.048
   24   1HD   PRO   3           HD1      PRO   3  14.903  -6.512   0.487
   25   2HD   PRO   3           HD2      PRO   3  13.715  -6.370   1.878
   26    HA   PRO   4           HA       PRO   4  11.624  -7.132  -4.727
   27   1HB   PRO   4           HB1      PRO   4   9.108  -8.099  -5.341
   28   2HB   PRO   4           HB2      PRO   4  10.118  -9.010  -4.183
   29   1HG   PRO   4           HG1      PRO   4   8.091  -6.945  -3.459
   30   2HG   PRO   4           HG2      PRO   4   8.252  -8.718  -2.887
   31   1HD   PRO   4           HD1      PRO   4   9.141  -6.499  -1.515
   32   2HD   PRO   4           HD2      PRO   4   9.927  -8.148  -1.462
   33    H    TRP   5           H        TRP   5   8.394  -6.309  -5.441
   34    HA   TRP   5           HA       TRP   5   9.058  -3.648  -6.387
   35   1HB   TRP   5           HB1      TRP   5   6.889  -3.619  -7.662
   36   2HB   TRP   5           HB2      TRP   5   8.130  -4.787  -8.113
   37    HD1  TRP   5           HD1      TRP   5   7.568  -7.228  -8.248
   38    HE1  TRP   5           HE1      TRP   5   5.249  -8.579  -8.130
   39    HE3  TRP   5           HE3      TRP   5   4.289  -3.862  -6.220
   40    HZ2  TRP   5           HZ2      TRP   5   2.516  -7.930  -8.223
   41    HZ3  TRP   5           HZ3      TRP   5   2.040  -4.008  -6.557
   42    HH2  TRP   5           HH2      TRP   5   1.053  -6.079  -7.418
   43    H    TYR   6           H        TYR   6   6.098  -4.882  -4.806
   44    HA   TYR   6           HA       TYR   6   4.603  -2.812  -4.241
   45   1HB   TYR   6           HB1      TYR   6   4.706  -4.689  -1.890
   46   2HB   TYR   6           HB2      TYR   6   3.366  -4.332  -2.930
   47    HD1  TYR   6           HD1      TYR   6   3.043  -5.832  -4.895
   48    HD2  TYR   6           HD2      TYR   6   6.257  -6.441  -2.186
   49    HE1  TYR   6           HE1      TYR   6   3.265  -8.161  -5.737
   50    HE2  TYR   6           HE2      TYR   6   6.343  -8.917  -2.980
   51    HH   TYR   6           HH       TYR   6   4.327 -10.127  -5.500
   52    H    CYS   7           H        CYS   7   7.096  -3.654  -1.963
   53    HA   CYS   7           HA       CYS   7   6.521  -1.911  -0.023
   54   1HB   CYS   7           HB1      CYS   7   9.382  -2.918  -0.541
   55   2HB   CYS   7           HB2      CYS   7   8.540  -2.629   1.021
   56    H    LYS   8           H        LYS   8   8.362  -1.157  -2.911
   57    HA   LYS   8           HA       LYS   8   9.206   1.504  -1.922
   58   1HB   LYS   8           HB1      LYS   8  10.937  -0.296  -2.334
   59   2HB   LYS   8           HB2      LYS   8  10.262  -0.608  -3.963
   60   1HG   LYS   8           HG1      LYS   8  10.990   1.681  -4.633
   61   2HG   LYS   8           HG2      LYS   8  11.781   1.890  -3.013
   62   1HD   LYS   8           HD1      LYS   8  13.079  -0.272  -3.573
   63   2HD   LYS   8           HD2      LYS   8  12.290  -0.280  -5.180
   64   1HE   LYS   8           HE1      LYS   8  14.208   1.924  -4.080
   65   2HE   LYS   8           HE2      LYS   8  14.656   0.625  -5.256
   66   1HZ   LYS   8           HZ1      LYS   8  13.075   1.547  -6.806
   67   2HZ   LYS   8           HZ2      LYS   8  12.647   2.768  -5.706
   68   3HZ   LYS   8           HZ3      LYS   8  14.224   2.705  -6.334
   69    H    GLU   9           H        GLU   9   6.520   0.298  -3.293
   70    HA   GLU   9           HA       GLU   9   6.656   1.418  -5.957
   71   1HB   GLU   9           HB1      GLU   9   5.911  -0.769  -5.524
   72   2HB   GLU   9           HB2      GLU   9   4.548  -0.152  -4.613
   73   1HG   GLU   9           HG1      GLU   9   3.946  -0.687  -6.949
   74   2HG   GLU   9           HG2      GLU   9   3.797   1.099  -6.861
   75    HA   PRO  10           HA       PRO  10   4.907   5.182  -4.234
   76   1HB   PRO  10           HB1      PRO  10   4.389   6.043  -7.125
   77   2HB   PRO  10           HB2      PRO  10   5.304   6.907  -5.823
   78   1HG   PRO  10           HG1      PRO  10   6.619   5.639  -7.785
   79   2HG   PRO  10           HG2      PRO  10   7.174   5.348  -6.090
   80   1HD   PRO  10           HD1      PRO  10   5.163   3.604  -7.649
   81   2HD   PRO  10           HD2      PRO  10   6.726   3.045  -6.965
   82    H    VAL  11           H        VAL  11   2.790   5.978  -3.490
   83    HA   VAL  11           HA       VAL  11   0.478   4.576  -4.436
   84    HB   VAL  11           HB       VAL  11  -0.489   6.462  -2.477
   85   1HG1  VAL  11           HG11     VAL  11  -1.193   4.233  -3.033
   86   2HG1  VAL  11           HG12     VAL  11   0.348   3.560  -2.331
   87   3HG1  VAL  11           HG13     VAL  11  -0.825   4.513  -1.306
   88   1HG2  VAL  11           HG21     VAL  11   1.753   7.240  -2.250
   89   2HG2  VAL  11           HG22     VAL  11   0.997   6.566  -0.779
   90   3HG2  VAL  11           HG23     VAL  11   2.269   5.589  -1.607
   91    H    ARG  12           H        ARG  12  -1.530   5.385  -4.959
   92    HA   ARG  12           HA       ARG  12  -1.626   8.024  -6.194
   93   1HB   ARG  12           HB1      ARG  12  -1.660   5.381  -7.496
   94   2HB   ARG  12           HB2      ARG  12  -2.885   6.504  -8.169
   95   1HG   ARG  12           HG1      ARG  12  -0.092   7.641  -7.739
   96   2HG   ARG  12           HG2      ARG  12  -0.529   6.392  -8.916
   97   1HD   ARG  12           HD1      ARG  12  -0.798   8.721  -9.947
   98   2HD   ARG  12           HD2      ARG  12  -2.345   7.754  -9.809
   99    HE   ARG  12           HE       ARG  12  -1.632   9.795  -7.610
  100   1HH1  ARG  12           HH11     ARG  12  -3.468   9.169 -10.387
  101   2HH1  ARG  12           HH12     ARG  12  -4.805  10.183  -9.902
  102   1HH2  ARG  12           HH21     ARG  12  -3.385  11.184  -7.043
  103   2HH2  ARG  12           HH22     ARG  12  -4.843  11.108  -7.953
  104    H    ILE  13           H        ILE  13  -3.617   8.865  -5.281
  105    HA   ILE  13           HA       ILE  13  -5.691   7.119  -4.414
  106    HB   ILE  13           HB       ILE  13  -5.107   9.145  -3.289
  107   1HG1  ILE  13           HG11     ILE  13  -8.073   8.789  -4.038
  108   2HG1  ILE  13           HG12     ILE  13  -7.098   7.648  -3.071
  109   1HG2  ILE  13           HG21     ILE  13  -5.197  10.867  -5.159
  110   2HG2  ILE  13           HG22     ILE  13  -6.989  10.554  -5.266
  111   3HG2  ILE  13           HG23     ILE  13  -6.243  11.206  -3.762
  112   1HD1  ILE  13           HD11     ILE  13  -6.750   9.368  -1.315
  113   2HD1  ILE  13           HD12     ILE  13  -7.767  10.558  -2.233
  114   3HD1  ILE  13           HD13     ILE  13  -8.505   9.038  -1.576
  115    H    GLY  14           H        GLY  14  -5.374   9.115  -7.350
  116   1HA   GLY  14           HA1      GLY  14  -6.488   8.090  -9.313
  117   2HA   GLY  14           HA2      GLY  14  -7.968   7.967  -8.295
  118    H    SER  15           H        SER  15  -8.871   9.284 -10.201
  119    HA   SER  15           HA       SER  15  -8.219  12.166 -10.019
  120   1HB   SER  15           HB1      SER  15  -9.863  10.724 -12.186
  121   2HB   SER  15           HB2      SER  15  -9.255  12.427 -12.206
  122    HG   SER  15           HG       SER  15  -7.647  10.110 -11.979
  123    H    CYS  16           H        CYS  16 -10.633  10.120  -8.642
  124    HA   CYS  16           HA       CYS  16 -12.672  12.295  -8.805
  125   1HB   CYS  16           HB1      CYS  16 -13.083   9.299  -8.278
  126   2HB   CYS  16           HB2      CYS  16 -14.386  10.517  -8.191
  127    H    LYS  17           H        LYS  17 -14.120  12.361  -6.859
  128    HA   LYS  17           HA       LYS  17 -12.603  12.072  -4.335
  129   1HB   LYS  17           HB1      LYS  17 -14.728  14.116  -5.148
  130   2HB   LYS  17           HB2      LYS  17 -14.149  13.908  -3.469
  131   1HG   LYS  17           HG1      LYS  17 -12.401  14.725  -5.845
  132   2HG   LYS  17           HG2      LYS  17 -13.049  15.796  -4.563
  133   1HD   LYS  17           HD1      LYS  17 -10.973  13.525  -4.163
  134   2HD   LYS  17           HD2      LYS  17 -10.665  15.280  -4.268
  135   1HE   LYS  17           HE1      LYS  17 -10.513  14.793  -1.954
  136   2HE   LYS  17           HE2      LYS  17 -12.137  15.571  -2.129
  137   1HZ   LYS  17           HZ1      LYS  17 -11.549  12.650  -1.959
  138   2HZ   LYS  17           HZ2      LYS  17 -12.179  13.632  -0.725
  139   3HZ   LYS  17           HZ3      LYS  17 -13.090  13.341  -2.129
  140    H    LYS  18           H        LYS  18 -13.469   9.762  -4.945
  141    HA   LYS  18           HA       LYS  18 -15.678   9.216  -3.102
  142   1HB   LYS  18           HB1      LYS  18 -16.600   8.869  -5.419
  143   2HB   LYS  18           HB2      LYS  18 -15.191   7.852  -5.861
  144   1HG   LYS  18           HG1      LYS  18 -15.859   6.236  -3.986
  145   2HG   LYS  18           HG2      LYS  18 -17.354   7.163  -3.760
  146   1HD   LYS  18           HD1      LYS  18 -16.402   5.708  -6.305
  147   2HD   LYS  18           HD2      LYS  18 -17.740   5.220  -5.207
  148   1HE   LYS  18           HE1      LYS  18 -19.087   7.218  -5.932
  149   2HE   LYS  18           HE2      LYS  18 -17.756   7.703  -7.063
  150   1HZ   LYS  18           HZ1      LYS  18 -19.246   5.139  -7.114
  151   2HZ   LYS  18           HZ2      LYS  18 -19.455   6.462  -8.160
  152   3HZ   LYS  18           HZ3      LYS  18 -17.995   5.595  -8.168
  153    H    GLN  19           H        GLN  19 -14.674   7.915  -1.503
  154    HA   GLN  19           HA       GLN  19 -12.051   6.769  -2.174
  155   1HB   GLN  19           HB1      GLN  19 -12.334   7.953   0.585
  156   2HB   GLN  19           HB2      GLN  19 -10.995   7.983  -0.612
  157   1HG   GLN  19           HG1      GLN  19 -11.564  10.198  -0.141
  158   2HG   GLN  19           HG2      GLN  19 -12.208   9.918  -1.791
  159   1HE2  GLN  19           HE21     GLN  19 -14.858  11.759  -0.002
  160   2HE2  GLN  19           HE22     GLN  19 -13.361  12.029  -0.875
  161    H    PHE  20           H        PHE  20 -11.770   4.663  -1.640
  162    HA   PHE  20           HA       PHE  20 -13.537   3.352   0.336
  163   1HB   PHE  20           HB1      PHE  20 -11.828   1.955  -1.818
  164   2HB   PHE  20           HB2      PHE  20 -13.208   1.350  -0.894
  165    HD1  PHE  20           HD1      PHE  20 -15.534   2.366  -1.244
  166    HD2  PHE  20           HD2      PHE  20 -12.311   3.098  -4.054
  167    HE1  PHE  20           HE1      PHE  20 -17.161   2.914  -3.032
  168    HE2  PHE  20           HE2      PHE  20 -13.960   3.616  -5.773
  169    HZ   PHE  20           HZ       PHE  20 -16.361   3.433  -5.311
  170    H    SER  21           H        SER  21 -12.416   2.417   2.220
  171    HA   SER  21           HA       SER  21  -9.760   3.251   2.685
  172   1HB   SER  21           HB1      SER  21 -11.515   3.118   4.471
  173   2HB   SER  21           HB2      SER  21 -11.217   1.351   4.544
  174    HG   SER  21           HG       SER  21  -9.944   2.564   6.045
  175    H    SER  22           H        SER  22  -7.857   2.490   2.742
  176    HA   SER  22           HA       SER  22  -7.192  -0.271   2.089
  177   1HB   SER  22           HB1      SER  22  -5.569   0.867   0.230
  178   2HB   SER  22           HB2      SER  22  -7.268   0.722  -0.163
  179    HG   SER  22           HG       SER  22  -6.307   3.035   1.206
  180    H    PHE  23           H        PHE  23  -4.659  -0.073   1.711
  181    HA   PHE  23           HA       PHE  23  -3.218   1.571   3.663
  182   1HB   PHE  23           HB1      PHE  23  -3.300  -1.587   3.707
  183   2HB   PHE  23           HB2      PHE  23  -1.947  -0.645   4.312
  184    HD1  PHE  23           HD1      PHE  23  -2.116   0.746   6.304
  185    HD2  PHE  23           HD2      PHE  23  -5.553  -1.373   4.855
  186    HE1  PHE  23           HE1      PHE  23  -3.371   1.469   8.279
  187    HE2  PHE  23           HE2      PHE  23  -6.790  -0.799   6.901
  188    HZ   PHE  23           HZ       PHE  23  -5.716   0.656   8.627
  189    H    TYR  24           H        TYR  24  -0.895   1.795   3.166
  190    HA   TYR  24           HA       TYR  24   0.121   0.260   0.883
  191   1HB   TYR  24           HB1      TYR  24   1.132   1.940  -0.357
  192   2HB   TYR  24           HB2      TYR  24  -0.530   2.480  -0.030
  193    HD1  TYR  24           HD1      TYR  24   3.089   2.998   0.896
  194    HD2  TYR  24           HD2      TYR  24  -0.894   4.595   1.027
  195    HE1  TYR  24           HE1      TYR  24   3.967   5.180   1.938
  196    HE2  TYR  24           HE2      TYR  24  -0.046   6.721   1.842
  197    HH   TYR  24           HH       TYR  24   1.768   7.890   2.521
  198    H    PHE  25           H        PHE  25   2.595  -0.073   1.013
  199    HA   PHE  25           HA       PHE  25   3.404  -0.113   3.842
  200   1HB   PHE  25           HB1      PHE  25   3.393  -2.206   2.277
  201   2HB   PHE  25           HB2      PHE  25   4.819  -1.519   1.457
  202    HD1  PHE  25           HD1      PHE  25   6.935  -1.164   2.884
  203    HD2  PHE  25           HD2      PHE  25   3.528  -3.328   4.358
  204    HE1  PHE  25           HE1      PHE  25   8.261  -2.155   4.774
  205    HE2  PHE  25           HE2      PHE  25   4.741  -4.152   6.264
  206    HZ   PHE  25           HZ       PHE  25   7.185  -3.403   6.489
  207    H    LYS  26           H        LYS  26   4.592   1.806   4.580
  208    HA   LYS  26           HA       LYS  26   5.699   3.487   2.589
  209   1HB   LYS  26           HB1      LYS  26   4.417   4.333   4.189
  210   2HB   LYS  26           HB2      LYS  26   5.303   3.529   5.532
  211   1HG   LYS  26           HG1      LYS  26   5.439   5.674   5.476
  212   2HG   LYS  26           HG2      LYS  26   7.169   5.153   5.252
  213   1HD   LYS  26           HD1      LYS  26   5.232   6.603   3.303
  214   2HD   LYS  26           HD2      LYS  26   6.666   7.285   4.182
  215   1HE   LYS  26           HE1      LYS  26   8.251   5.980   2.884
  216   2HE   LYS  26           HE2      LYS  26   6.867   5.096   2.124
  217   1HZ   LYS  26           HZ1      LYS  26   6.148   7.164   1.136
  218   2HZ   LYS  26           HZ2      LYS  26   7.424   8.009   1.871
  219   3HZ   LYS  26           HZ3      LYS  26   7.755   6.827   0.697
  220    H    TRP  27           H        TRP  27   7.623   2.865   1.729
  221    HA   TRP  27           HA       TRP  27   9.366   1.023   2.325
  222   1HB   TRP  27           HB1      TRP  27   9.083   2.012   0.139
  223   2HB   TRP  27           HB2      TRP  27   9.431   3.606   0.658
  224    HD1  TRP  27           HD1      TRP  27  11.578   4.446  -0.320
  225    HE1  TRP  27           HE1      TRP  27  13.902   3.415  -0.945
  226    HE3  TRP  27           HE3      TRP  27  10.656  -0.255   1.110
  227    HZ2  TRP  27           HZ2      TRP  27  15.121   0.840  -0.854
  228    HZ3  TRP  27           HZ3      TRP  27  12.390  -2.030   0.867
  229    HH2  TRP  27           HH2      TRP  27  14.603  -1.488  -0.142
  230    H    THR  28           H        THR  28  10.052   4.474   3.102
  231    HA   THR  28           HA       THR  28  12.523   3.838   4.369
  232    HB   THR  28           HB       THR  28  12.391   6.453   4.847
  233    HG1  THR  28           HG1      THR  28  11.105   7.344   3.126
  234   1HG2  THR  28           HG21     THR  28  12.577   5.204   2.029
  235   2HG2  THR  28           HG22     THR  28  13.233   6.811   2.518
  236   3HG2  THR  28           HG23     THR  28  13.911   5.308   3.229
  237    H    ALA  29           H        ALA  29   9.220   3.940   5.455
  238    HA   ALA  29           HA       ALA  29   9.956   4.426   8.268
  239   1HB   ALA  29           HB1      ALA  29   7.816   5.334   7.354
  240   2HB   ALA  29           HB2      ALA  29   7.248   3.683   6.958
  241   3HB   ALA  29           HB3      ALA  29   7.491   4.180   8.686
  242    H    LYS  30           H        LYS  30   9.025   1.804   6.103
  243    HA   LYS  30           HA       LYS  30   9.194  -0.369   6.077
  244   1HB   LYS  30           HB1      LYS  30  10.895  -0.140   8.548
  245   2HB   LYS  30           HB2      LYS  30  10.458  -1.722   7.855
  246   1HG   LYS  30           HG1      LYS  30  11.956   0.506   6.369
  247   2HG   LYS  30           HG2      LYS  30  12.614  -1.021   7.050
  248   1HD   LYS  30           HD1      LYS  30  10.680  -0.764   4.675
  249   2HD   LYS  30           HD2      LYS  30  12.398  -1.195   4.611
  250   1HE   LYS  30           HE1      LYS  30  10.263  -2.997   6.044
  251   2HE   LYS  30           HE2      LYS  30  10.801  -3.142   4.321
  252   1HZ   LYS  30           HZ1      LYS  30  13.050  -3.446   5.055
  253   2HZ   LYS  30           HZ2      LYS  30  12.591  -3.293   6.683
  254   3HZ   LYS  30           HZ3      LYS  30  12.018  -4.598   5.757
  255    H    LYS  31           H        LYS  31   6.923   1.040   7.150
  256    HA   LYS  31           HA       LYS  31   5.459  -1.226   8.194
  257   1HB   LYS  31           HB1      LYS  31   4.424   0.122  10.072
  258   2HB   LYS  31           HB2      LYS  31   6.168  -0.224  10.253
  259   1HG   LYS  31           HG1      LYS  31   6.752   2.009   9.407
  260   2HG   LYS  31           HG2      LYS  31   5.005   2.428   9.273
  261   1HD   LYS  31           HD1      LYS  31   4.759   2.071  11.758
  262   2HD   LYS  31           HD2      LYS  31   6.494   1.592  11.852
  263   1HE   LYS  31           HE1      LYS  31   7.205   3.876  11.132
  264   2HE   LYS  31           HE2      LYS  31   5.469   4.385  11.018
  265   1HZ   LYS  31           HZ1      LYS  31   5.228   3.882  13.354
  266   2HZ   LYS  31           HZ2      LYS  31   6.855   3.406  13.461
  267   3HZ   LYS  31           HZ3      LYS  31   6.463   5.018  13.095
  268    H    CYS  32           H        CYS  32   3.101  -0.822   8.203
  269    HA   CYS  32           HA       CYS  32   2.239   0.195   5.682
  270   1HB   CYS  32           HB1      CYS  32   0.819  -1.242   8.029
  271   2HB   CYS  32           HB2      CYS  32  -0.003  -0.898   6.463
  272    H    LEU  33           H        LEU  33   1.202   2.123   5.182
  273    HA   LEU  33           HA       LEU  33   0.067   3.676   7.456
  274   1HB   LEU  33           HB1      LEU  33   0.763   4.941   4.791
  275   2HB   LEU  33           HB2      LEU  33   0.356   5.722   6.323
  276    HG   LEU  33           HG       LEU  33   2.983   4.385   5.531
  277   1HD1  LEU  33           HD11     LEU  33   2.102   7.225   6.391
  278   2HD1  LEU  33           HD12     LEU  33   3.800   6.754   6.082
  279   3HD1  LEU  33           HD13     LEU  33   2.590   6.676   4.748
  280   1HD2  LEU  33           HD21     LEU  33   2.569   3.773   7.969
  281   2HD2  LEU  33           HD22     LEU  33   3.899   4.968   7.771
  282   3HD2  LEU  33           HD23     LEU  33   2.281   5.509   8.334
  283    HA   PRO  34           HA       PRO  34  -3.814   3.265   4.803
  284   1HB   PRO  34           HB1      PRO  34  -5.453   4.810   6.481
  285   2HB   PRO  34           HB2      PRO  34  -4.915   3.148   6.872
  286   1HG   PRO  34           HG1      PRO  34  -4.105   5.671   8.244
  287   2HG   PRO  34           HG2      PRO  34  -3.877   3.944   8.748
  288   1HD   PRO  34           HD1      PRO  34  -2.058   5.770   7.196
  289   2HD   PRO  34           HD2      PRO  34  -1.532   4.429   8.185
  290    H    PHE  35           H        PHE  35  -4.608   4.153   3.299
  291    HA   PHE  35           HA       PHE  35  -4.979   6.963   2.983
  292   1HB   PHE  35           HB1      PHE  35  -3.880   7.443   0.988
  293   2HB   PHE  35           HB2      PHE  35  -2.644   6.402   1.742
  294    HD1  PHE  35           HD1      PHE  35  -3.180   3.705   1.096
  295    HD2  PHE  35           HD2      PHE  35  -4.272   7.153  -1.314
  296    HE1  PHE  35           HE1      PHE  35  -3.478   2.250  -0.871
  297    HE2  PHE  35           HE2      PHE  35  -4.353   5.684  -3.278
  298    HZ   PHE  35           HZ       PHE  35  -4.019   3.282  -3.095
  299    H    LEU  36           H        LEU  36  -6.713   6.997   1.105
  300    HA   LEU  36           HA       LEU  36  -8.275   4.513   1.051
  301   1HB   LEU  36           HB1      LEU  36  -9.100   7.503   0.926
  302   2HB   LEU  36           HB2      LEU  36 -10.151   6.128   0.434
  303    HG   LEU  36           HG       LEU  36  -9.779   5.137   2.679
  304   1HD1  LEU  36           HD11     LEU  36  -8.987   7.933   3.496
  305   2HD1  LEU  36           HD12     LEU  36  -9.610   6.616   4.597
  306   3HD1  LEU  36           HD13     LEU  36  -8.078   6.360   3.712
  307   1HD2  LEU  36           HD21     LEU  36 -11.963   6.083   1.903
  308   2HD2  LEU  36           HD22     LEU  36 -11.722   6.333   3.658
  309   3HD2  LEU  36           HD23     LEU  36 -11.469   7.708   2.529
  310    H    PHE  37           H        PHE  37  -8.962   3.945  -0.974
  311    HA   PHE  37           HA       PHE  37  -7.557   5.108  -3.332
  312   1HB   PHE  37           HB1      PHE  37  -6.962   2.855  -3.365
  313   2HB   PHE  37           HB2      PHE  37  -8.483   2.379  -2.485
  314    HD1  PHE  37           HD1      PHE  37  -7.300   3.356  -6.107
  315    HD2  PHE  37           HD2      PHE  37 -10.275   1.475  -3.556
  316    HE1  PHE  37           HE1      PHE  37  -8.301   2.342  -8.023
  317    HE2  PHE  37           HE2      PHE  37 -11.363   0.564  -5.611
  318    HZ   PHE  37           HZ       PHE  37 -10.331   0.902  -7.804
  319    H    SER  38           H        SER  38  -8.627   6.077  -5.096
  320    HA   SER  38           HA       SER  38 -11.539   6.237  -5.039
  321   1HB   SER  38           HB1      SER  38 -10.336   8.540  -5.036
  322   2HB   SER  38           HB2      SER  38  -9.684   8.134  -6.649
  323    HG   SER  38           HG       SER  38 -12.374   8.141  -5.739
  324    H    GLY  39           H        GLY  39 -12.307   4.930  -6.373
  325   1HA   GLY  39           HA1      GLY  39 -10.943   3.283  -8.236
  326   2HA   GLY  39           HA2      GLY  39 -12.686   3.343  -7.996
  327    H    CYS  40           H        CYS  40 -11.047   6.211  -8.963
  328    HA   CYS  40           HA       CYS  40 -11.604   5.955 -11.856
  329   1HB   CYS  40           HB1      CYS  40 -11.342   8.507 -10.135
  330   2HB   CYS  40           HB2      CYS  40 -11.605   8.480 -11.908
  331    H    GLY  41           H        GLY  41  -9.298   4.707 -11.133
  332   1HA   GLY  41           HA1      GLY  41  -7.318   5.073 -12.571
  333   2HA   GLY  41           HA2      GLY  41  -7.212   6.712 -11.945
  334    H    GLY  42           H        GLY  42  -7.097   3.405 -10.251
  335   1HA   GLY  42           HA1      GLY  42  -4.865   4.450  -8.704
  336   2HA   GLY  42           HA2      GLY  42  -5.673   2.853  -8.624
  337    H    ASN  43           H        ASN  43  -3.116   2.533  -8.203
  338    HA   ASN  43           HA       ASN  43  -1.961   1.747 -10.833
  339   1HB   ASN  43           HB1      ASN  43   0.274   2.178 -10.177
  340   2HB   ASN  43           HB2      ASN  43  -0.778   3.614 -10.045
  341   1HD2  ASN  43           HD21     ASN  43   1.344   4.050  -7.272
  342   2HD2  ASN  43           HD22     ASN  43   0.812   4.609  -8.848
  343    H    ALA  44           H        ALA  44  -0.165   0.552  -8.204
  344    HA   ALA  44           HA       ALA  44  -1.438  -2.123  -8.466
  345   1HB   ALA  44           HB1      ALA  44   0.200  -1.861 -10.361
  346   2HB   ALA  44           HB2      ALA  44   1.525  -1.622  -9.176
  347   3HB   ALA  44           HB3      ALA  44   0.626  -3.198  -9.269
  348    H    ASN  45           H        ASN  45   0.073   0.212  -6.427
  349    HA   ASN  45           HA       ASN  45   0.919  -1.846  -4.457
  350   1HB   ASN  45           HB1      ASN  45   2.431   0.159  -5.093
  351   2HB   ASN  45           HB2      ASN  45   1.296   1.257  -4.322
  352   1HD2  ASN  45           HD21     ASN  45   3.478   0.684  -1.461
  353   2HD2  ASN  45           HD22     ASN  45   3.095   1.763  -2.769
  354    H    ARG  46           H        ARG  46  -1.866  -2.002  -4.533
  355    HA   ARG  46           HA       ARG  46  -2.522  -0.473  -2.085
  356   1HB   ARG  46           HB1      ARG  46  -4.777   0.092  -2.699
  357   2HB   ARG  46           HB2      ARG  46  -3.488   1.016  -3.481
  358   1HG   ARG  46           HG1      ARG  46  -5.131  -1.238  -4.798
  359   2HG   ARG  46           HG2      ARG  46  -5.535   0.509  -4.829
  360   1HD   ARG  46           HD1      ARG  46  -3.209  -0.867  -6.260
  361   2HD   ARG  46           HD2      ARG  46  -4.565   0.041  -7.008
  362    HE   ARG  46           HE       ARG  46  -2.072   1.165  -5.848
  363   1HH1  ARG  46           HH11     ARG  46  -5.454   2.229  -6.058
  364   2HH1  ARG  46           HH12     ARG  46  -4.876   3.903  -5.986
  365   1HH2  ARG  46           HH21     ARG  46  -1.605   3.236  -6.199
  366   2HH2  ARG  46           HH22     ARG  46  -2.949   4.398  -6.089
  367    H    PHE  47           H        PHE  47  -3.276  -1.324  -0.579
  368    HA   PHE  47           HA       PHE  47  -4.065  -4.172  -0.624
  369   1HB   PHE  47           HB1      PHE  47  -2.816  -2.532   1.752
  370   2HB   PHE  47           HB2      PHE  47  -2.908  -4.321   1.557
  371    HD1  PHE  47           HD1      PHE  47  -1.821  -4.916  -1.106
  372    HD2  PHE  47           HD2      PHE  47  -0.604  -1.758   1.547
  373    HE1  PHE  47           HE1      PHE  47   0.431  -4.819  -2.159
  374    HE2  PHE  47           HE2      PHE  47   1.627  -1.769   0.519
  375    HZ   PHE  47           HZ       PHE  47   2.154  -3.311  -1.285
  376    H    GLN  48           H        GLN  48  -6.251  -4.558   0.193
  377    HA   GLN  48           HA       GLN  48  -7.827  -2.235   0.898
  378   1HB   GLN  48           HB1      GLN  48  -9.713  -3.378   0.375
  379   2HB   GLN  48           HB2      GLN  48  -8.518  -4.034  -0.767
  380   1HG   GLN  48           HG1      GLN  48  -9.742  -5.407   1.759
  381   2HG   GLN  48           HG2      GLN  48 -10.062  -5.805   0.051
  382   1HE2  GLN  48           HE21     GLN  48  -6.979  -7.653  -0.308
  383   2HE2  GLN  48           HE22     GLN  48  -8.042  -6.623  -1.227
  384    H    THR  49           H        THR  49  -6.407  -4.887   2.715
  385    HA   THR  49           HA       THR  49  -7.587  -3.862   5.218
  386    HB   THR  49           HB       THR  49  -7.347  -6.196   6.194
  387    HG1  THR  49           HG1      THR  49  -7.283  -7.026   3.453
  388   1HG2  THR  49           HG21     THR  49  -9.582  -5.335   5.529
  389   2HG2  THR  49           HG22     THR  49  -9.339  -5.979   3.863
  390   3HG2  THR  49           HG23     THR  49  -9.432  -7.109   5.257
  391    H    ILE  50           H        ILE  50  -6.077  -4.033   7.011
  392    HA   ILE  50           HA       ILE  50  -3.564  -3.103   6.407
  393    HB   ILE  50           HB       ILE  50  -4.904  -2.507   8.301
  394   1HG1  ILE  50           HG11     ILE  50  -2.201  -3.553   9.296
  395   2HG1  ILE  50           HG12     ILE  50  -2.428  -2.124   8.227
  396   1HG2  ILE  50           HG21     ILE  50  -5.816  -4.841   8.852
  397   2HG2  ILE  50           HG22     ILE  50  -4.210  -5.237   9.566
  398   3HG2  ILE  50           HG23     ILE  50  -5.218  -3.925  10.262
  399   1HD1  ILE  50           HD11     ILE  50  -3.887  -1.037   9.902
  400   2HD1  ILE  50           HD12     ILE  50  -3.643  -2.408  11.052
  401   3HD1  ILE  50           HD13     ILE  50  -2.251  -1.369  10.559
  402    H    GLY  51           H        GLY  51  -4.372  -6.498   6.993
  403   1HA   GLY  51           HA1      GLY  51  -1.485  -7.107   7.141
  404   2HA   GLY  51           HA2      GLY  51  -2.792  -8.225   7.422
  405    H    GLU  52           H        GLU  52  -3.470  -6.558   4.522
  406    HA   GLU  52           HA       GLU  52  -2.243  -8.576   2.784
  407   1HB   GLU  52           HB1      GLU  52  -4.575  -7.787   2.385
  408   2HB   GLU  52           HB2      GLU  52  -3.987  -6.126   2.152
  409   1HG   GLU  52           HG1      GLU  52  -4.468  -7.160  -0.057
  410   2HG   GLU  52           HG2      GLU  52  -2.701  -6.901   0.052
  411    H    CYS  53           H        CYS  53  -1.549  -5.481   4.053
  412    HA   CYS  53           HA       CYS  53   0.378  -4.526   2.178
  413   1HB   CYS  53           HB1      CYS  53  -0.955  -2.952   3.315
  414   2HB   CYS  53           HB2      CYS  53  -0.736  -3.567   4.919
  415    H    ARG  54           H        ARG  54   0.529  -6.619   4.982
  416    HA   ARG  54           HA       ARG  54   3.378  -6.692   5.494
  417   1HB   ARG  54           HB1      ARG  54   0.884  -8.370   6.145
  418   2HB   ARG  54           HB2      ARG  54   2.504  -8.874   6.694
  419   1HG   ARG  54           HG1      ARG  54   2.869  -6.864   7.920
  420   2HG   ARG  54           HG2      ARG  54   1.363  -6.112   7.285
  421   1HD   ARG  54           HD1      ARG  54   1.265  -6.963   9.520
  422   2HD   ARG  54           HD2      ARG  54  -0.092  -7.584   8.491
  423    HE   ARG  54           HE       ARG  54   1.841  -9.663   8.298
  424   1HH1  ARG  54           HH11     ARG  54  -0.124  -8.332  10.869
  425   2HH1  ARG  54           HH12     ARG  54  -0.225  -9.892  11.640
  426   1HH2  ARG  54           HH21     ARG  54   1.566 -11.503   9.129
  427   2HH2  ARG  54           HH22     ARG  54   0.774 -11.692  10.683
  428    H    LYS  55           H        LYS  55   1.048  -8.907   3.861
  429    HA   LYS  55           HA       LYS  55   2.992 -10.908   3.237
  430   1HB   LYS  55           HB1      LYS  55   0.676 -11.167   4.103
  431   2HB   LYS  55           HB2      LYS  55   0.006 -10.814   2.484
  432   1HG   LYS  55           HG1      LYS  55   1.217 -12.830   1.567
  433   2HG   LYS  55           HG2      LYS  55   2.011 -13.107   3.167
  434   1HD   LYS  55           HD1      LYS  55  -1.024 -13.246   2.682
  435   2HD   LYS  55           HD2      LYS  55   0.102 -14.644   2.752
  436   1HE   LYS  55           HE1      LYS  55   0.714 -14.077   5.128
  437   2HE   LYS  55           HE2      LYS  55  -0.480 -12.717   5.118
  438   1HZ   LYS  55           HZ1      LYS  55  -1.098 -15.577   4.647
  439   2HZ   LYS  55           HZ2      LYS  55  -1.392 -14.686   6.063
  440   3HZ   LYS  55           HZ3      LYS  55  -2.209 -14.293   4.627
  441    H    LYS  56           H        LYS  56   4.088  -9.080   2.073
  442    HA   LYS  56           HA       LYS  56   4.471  -9.455  -0.624
  443   1HB   LYS  56           HB1      LYS  56   2.468  -7.269   0.011
  444   2HB   LYS  56           HB2      LYS  56   3.761  -6.802  -1.130
  445   1HG   LYS  56           HG1      LYS  56   3.342  -8.697  -2.571
  446   2HG   LYS  56           HG2      LYS  56   2.022  -9.266  -1.607
  447   1HD   LYS  56           HD1      LYS  56   1.944  -6.468  -3.067
  448   2HD   LYS  56           HD2      LYS  56   1.413  -8.051  -3.693
  449   1HE   LYS  56           HE1      LYS  56  -0.103  -8.575  -1.766
  450   2HE   LYS  56           HE2      LYS  56   0.202  -6.953  -1.061
  451   1HZ   LYS  56           HZ1      LYS  56  -0.964  -7.525  -3.739
  452   2HZ   LYS  56           HZ2      LYS  56  -1.808  -7.047  -2.345
  453   3HZ   LYS  56           HZ3      LYS  56  -0.702  -5.985  -3.074
  454    H    CYS  57           H        CYS  57   4.647  -7.290   2.310
  455    HA   CYS  57           HA       CYS  57   7.448  -6.497   1.502
  456   1HB   CYS  57           HB1      CYS  57   5.058  -4.997   2.745
  457   2HB   CYS  57           HB2      CYS  57   6.710  -4.309   2.785
  458    H    LEU  58           H        LEU  58   6.178  -8.427   4.101
  459    HA   LEU  58           HA       LEU  58   8.783  -7.688   5.321
  460   1HB   LEU  58           HB1      LEU  58   6.189  -7.443   6.821
  461   2HB   LEU  58           HB2      LEU  58   7.659  -7.965   7.717
  462    HG   LEU  58           HG       LEU  58   7.408  -5.454   6.127
  463   1HD1  LEU  58           HD11     LEU  58   6.100  -5.428   8.225
  464   2HD1  LEU  58           HD12     LEU  58   7.579  -5.901   9.179
  465   3HD1  LEU  58           HD13     LEU  58   7.551  -4.322   8.325
  466   1HD2  LEU  58           HD21     LEU  58   9.761  -6.674   7.691
  467   2HD2  LEU  58           HD22     LEU  58   9.767  -5.961   6.034
  468   3HD2  LEU  58           HD23     LEU  58   9.630  -4.889   7.461
  469    H    GLY  59           H        GLY  59   6.852 -10.151   4.267
  470   1HA   GLY  59           HA1      GLY  59   6.932 -12.352   4.279
  471   2HA   GLY  59           HA2      GLY  59   8.457 -12.288   5.245
  472    H    LYS  60           H        LYS  60   4.964 -11.357   5.845
  473    HA   LYS  60           HA       LYS  60   4.559 -13.159   7.965
  474   1HB   LYS  60           HB1      LYS  60   4.023 -11.149   9.504
  475   2HB   LYS  60           HB2      LYS  60   5.791 -11.382   9.269
  476   1HG   LYS  60           HG1      LYS  60   5.923  -9.529   7.677
  477   2HG   LYS  60           HG2      LYS  60   4.173  -9.414   7.553
  478   1HD   LYS  60           HD1      LYS  60   4.615  -7.605   8.883
  479   2HD   LYS  60           HD2      LYS  60   4.007  -8.849  10.037
  480   1HE   LYS  60           HE1      LYS  60   6.575  -9.325  10.527
  481   2HE   LYS  60           HE2      LYS  60   6.845  -7.792   9.639
  482   1HZ   LYS  60           HZ1      LYS  60   5.409  -6.658  11.185
  483   2HZ   LYS  60           HZ2      LYS  60   5.124  -8.098  12.040
  484   3HZ   LYS  60           HZ3      LYS  60   6.685  -7.430  11.996
   
  No H/Q in entry =         484
  Start of MODEL    4
    1    H    TRP   1           H        TRP   1  12.960 -12.787   3.808
    2    HA   TRP   1           HA       TRP   1  11.644 -12.384   1.365
    3   1HB   TRP   1           HB1      TRP   1   9.625 -12.127   2.563
    4   2HB   TRP   1           HB2      TRP   1  10.307 -11.201   3.907
    5    HD1  TRP   1           HD1      TRP   1   8.547 -10.496   0.563
    6    HE1  TRP   1           HE1      TRP   1   8.317  -8.099   0.318
    7    HE3  TRP   1           HE3      TRP   1  11.711  -9.075   4.361
    8    HZ2  TRP   1           HZ2      TRP   1   9.551  -5.707   1.404
    9    HZ3  TRP   1           HZ3      TRP   1  12.120  -6.678   4.697
   10    HH2  TRP   1           HH2      TRP   1  11.052  -5.001   3.210
   11    H    GLN   2           H        GLN   2  12.253 -10.395   0.384
   12    HA   GLN   2           HA       GLN   2  14.134  -8.576   1.598
   13   1HB   GLN   2           HB1      GLN   2  14.640 -10.281  -0.946
   14   2HB   GLN   2           HB2      GLN   2  15.555  -8.775  -0.627
   15   1HG   GLN   2           HG1      GLN   2  15.658 -11.362   1.068
   16   2HG   GLN   2           HG2      GLN   2  16.901 -10.734  -0.066
   17   1HE2  GLN   2           HE21     GLN   2  16.659  -9.138   3.691
   18   2HE2  GLN   2           HE22     GLN   2  15.290 -10.071   3.097
   19    HA   PRO   3           HA       PRO   3  10.879  -6.558  -0.330
   20   1HB   PRO   3           HB1      PRO   3  11.750  -3.878  -0.898
   21   2HB   PRO   3           HB2      PRO   3  11.204  -4.600   0.657
   22   1HG   PRO   3           HG1      PRO   3  14.053  -4.394  -0.492
   23   2HG   PRO   3           HG2      PRO   3  13.543  -3.921   1.178
   24   1HD   PRO   3           HD1      PRO   3  14.787  -6.304   0.589
   25   2HD   PRO   3           HD2      PRO   3  13.425  -6.271   1.806
   26    HA   PRO   4           HA       PRO   4  11.288  -6.761  -4.922
   27   1HB   PRO   4           HB1      PRO   4   8.807  -7.924  -5.385
   28   2HB   PRO   4           HB2      PRO   4   9.926  -8.771  -4.300
   29   1HG   PRO   4           HG1      PRO   4   7.862  -6.821  -3.360
   30   2HG   PRO   4           HG2      PRO   4   8.085  -8.610  -2.898
   31   1HD   PRO   4           HD1      PRO   4   9.052  -6.522  -1.452
   32   2HD   PRO   4           HD2      PRO   4   9.945  -8.097  -1.645
   33    H    TRP   5           H        TRP   5   8.123  -6.298  -5.671
   34    HA   TRP   5           HA       TRP   5   8.426  -3.586  -6.527
   35   1HB   TRP   5           HB1      TRP   5   6.168  -3.610  -7.574
   36   2HB   TRP   5           HB2      TRP   5   7.389  -4.732  -8.159
   37    HD1  TRP   5           HD1      TRP   5   6.932  -7.236  -8.158
   38    HE1  TRP   5           HE1      TRP   5   4.640  -8.578  -7.918
   39    HE3  TRP   5           HE3      TRP   5   3.634  -3.975  -5.967
   40    HZ2  TRP   5           HZ2      TRP   5   1.911  -7.958  -8.150
   41    HZ3  TRP   5           HZ3      TRP   5   1.303  -4.144  -6.402
   42    HH2  TRP   5           HH2      TRP   5   0.403  -6.151  -7.468
   43    H    TYR   6           H        TYR   6   5.612  -4.873  -4.710
   44    HA   TYR   6           HA       TYR   6   4.191  -2.844  -3.961
   45   1HB   TYR   6           HB1      TYR   6   4.665  -4.760  -1.628
   46   2HB   TYR   6           HB2      TYR   6   3.172  -4.383  -2.553
   47    HD1  TYR   6           HD1      TYR   6   2.732  -5.747  -4.625
   48    HD2  TYR   6           HD2      TYR   6   6.046  -6.509  -2.060
   49    HE1  TYR   6           HE1      TYR   6   2.963  -8.009  -5.626
   50    HE2  TYR   6           HE2      TYR   6   6.164  -8.909  -3.029
   51    HH   TYR   6           HH       TYR   6   5.204 -10.380  -4.425
   52    H    CYS   7           H        CYS   7   6.913  -3.746  -1.966
   53    HA   CYS   7           HA       CYS   7   6.644  -1.878  -0.003
   54   1HB   CYS   7           HB1      CYS   7   9.315  -3.263  -0.501
   55   2HB   CYS   7           HB2      CYS   7   8.449  -2.929   1.013
   56    H    LYS   8           H        LYS   8   7.764  -1.375  -3.093
   57    HA   LYS   8           HA       LYS   8   9.260   1.120  -2.485
   58   1HB   LYS   8           HB1      LYS   8   9.933  -1.141  -4.542
   59   2HB   LYS   8           HB2      LYS   8  10.585   0.466  -4.704
   60   1HG   LYS   8           HG1      LYS   8  11.849   0.164  -2.429
   61   2HG   LYS   8           HG2      LYS   8  11.090  -1.418  -2.233
   62   1HD   LYS   8           HD1      LYS   8  12.135  -2.412  -4.099
   63   2HD   LYS   8           HD2      LYS   8  12.528  -0.825  -4.851
   64   1HE   LYS   8           HE1      LYS   8  14.572  -1.901  -4.104
   65   2HE   LYS   8           HE2      LYS   8  14.308  -0.416  -3.110
   66   1HZ   LYS   8           HZ1      LYS   8  13.663  -3.212  -2.332
   67   2HZ   LYS   8           HZ2      LYS   8  14.990  -2.290  -1.807
   68   3HZ   LYS   8           HZ3      LYS   8  13.413  -1.828  -1.381
   69    H    GLU   9           H        GLU   9   6.304   0.010  -3.446
   70    HA   GLU   9           HA       GLU   9   6.361   0.912  -6.185
   71   1HB   GLU   9           HB1      GLU   9   5.538  -1.211  -5.624
   72   2HB   GLU   9           HB2      GLU   9   4.232  -0.514  -4.691
   73   1HG   GLU   9           HG1      GLU   9   3.514  -1.155  -6.958
   74   2HG   GLU   9           HG2      GLU   9   3.498   0.619  -7.034
   75    HA   PRO  10           HA       PRO  10   4.817   4.895  -5.186
   76   1HB   PRO  10           HB1      PRO  10   3.705   4.934  -8.053
   77   2HB   PRO  10           HB2      PRO  10   4.668   6.208  -7.195
   78   1HG   PRO  10           HG1      PRO  10   5.888   4.540  -8.917
   79   2HG   PRO  10           HG2      PRO  10   6.665   4.757  -7.296
   80   1HD   PRO  10           HD1      PRO  10   4.696   2.553  -8.135
   81   2HD   PRO  10           HD2      PRO  10   6.354   2.326  -7.453
   82    H    VAL  11           H        VAL  11   3.138   5.418  -3.867
   83    HA   VAL  11           HA       VAL  11   0.532   4.358  -3.995
   84    HB   VAL  11           HB       VAL  11   1.807   4.818  -2.003
   85   1HG1  VAL  11           HG11     VAL  11   2.935   7.005  -2.655
   86   2HG1  VAL  11           HG12     VAL  11   1.343   7.837  -2.502
   87   3HG1  VAL  11           HG13     VAL  11   2.104   7.072  -1.067
   88   1HG2  VAL  11           HG21     VAL  11  -0.596   4.536  -1.800
   89   2HG2  VAL  11           HG22     VAL  11  -0.044   5.794  -0.645
   90   3HG2  VAL  11           HG23     VAL  11  -0.906   6.276  -2.144
   91    H    ARG  12           H        ARG  12  -1.483   5.229  -4.670
   92    HA   ARG  12           HA       ARG  12  -1.510   7.799  -6.160
   93   1HB   ARG  12           HB1      ARG  12  -2.009   5.134  -7.321
   94   2HB   ARG  12           HB2      ARG  12  -2.743   6.632  -7.998
   95   1HG   ARG  12           HG1      ARG  12  -0.311   7.648  -7.891
   96   2HG   ARG  12           HG2      ARG  12   0.174   5.929  -7.653
   97   1HD   ARG  12           HD1      ARG  12   0.338   6.531  -9.936
   98   2HD   ARG  12           HD2      ARG  12  -1.061   5.348  -9.625
   99    HE   ARG  12           HE       ARG  12  -2.252   7.893  -9.577
  100   1HH1  ARG  12           HH11     ARG  12  -0.822   5.767 -11.937
  101   2HH1  ARG  12           HH12     ARG  12  -1.504   6.639 -13.284
  102   1HH2  ARG  12           HH21     ARG  12  -3.041   8.978 -11.269
  103   2HH2  ARG  12           HH22     ARG  12  -2.948   8.335 -12.875
  104    H    ILE  13           H        ILE  13  -3.413   8.849  -5.470
  105    HA   ILE  13           HA       ILE  13  -5.783   7.308  -4.691
  106    HB   ILE  13           HB       ILE  13  -4.813   8.768  -3.018
  107   1HG1  ILE  13           HG11     ILE  13  -7.722   9.211  -3.923
  108   2HG1  ILE  13           HG12     ILE  13  -6.975   7.844  -3.032
  109   1HG2  ILE  13           HG21     ILE  13  -4.259  10.881  -4.340
  110   2HG2  ILE  13           HG22     ILE  13  -6.067  11.076  -4.585
  111   3HG2  ILE  13           HG23     ILE  13  -5.326  11.086  -2.950
  112   1HD1  ILE  13           HD11     ILE  13  -6.501   9.360  -1.090
  113   2HD1  ILE  13           HD12     ILE  13  -7.274  10.745  -1.959
  114   3HD1  ILE  13           HD13     ILE  13  -8.271   9.330  -1.447
  115    H    GLY  14           H        GLY  14  -4.663   9.755  -6.880
  116   1HA   GLY  14           HA1      GLY  14  -5.406  10.514  -8.933
  117   2HA   GLY  14           HA2      GLY  14  -6.562   9.171  -8.913
  118    H    SER  15           H        SER  15  -6.909  11.825 -10.113
  119    HA   SER  15           HA       SER  15  -8.792  13.239  -8.385
  120   1HB   SER  15           HB1      SER  15  -8.701  14.984 -10.198
  121   2HB   SER  15           HB2      SER  15  -7.097  14.558  -9.522
  122    HG   SER  15           HG       SER  15  -8.246  13.551 -11.912
  123    H    CYS  16           H        CYS  16 -10.285  11.316  -8.445
  124    HA   CYS  16           HA       CYS  16 -12.075  11.470 -10.817
  125   1HB   CYS  16           HB1      CYS  16 -10.584   9.454 -10.759
  126   2HB   CYS  16           HB2      CYS  16 -11.401   8.789  -9.403
  127    H    LYS  17           H        LYS  17 -13.429   9.210  -8.971
  128    HA   LYS  17           HA       LYS  17 -15.611  10.902  -8.304
  129   1HB   LYS  17           HB1      LYS  17 -15.235   7.891  -8.089
  130   2HB   LYS  17           HB2      LYS  17 -16.753   8.790  -7.715
  131   1HG   LYS  17           HG1      LYS  17 -16.209   9.880 -10.129
  132   2HG   LYS  17           HG2      LYS  17 -15.570   8.243 -10.404
  133   1HD   LYS  17           HD1      LYS  17 -18.313   9.092  -9.254
  134   2HD   LYS  17           HD2      LYS  17 -18.020   8.651 -10.970
  135   1HE   LYS  17           HE1      LYS  17 -19.192   6.802  -9.920
  136   2HE   LYS  17           HE2      LYS  17 -17.522   6.224 -10.261
  137   1HZ   LYS  17           HZ1      LYS  17 -18.584   7.174  -7.648
  138   2HZ   LYS  17           HZ2      LYS  17 -18.289   5.567  -8.110
  139   3HZ   LYS  17           HZ3      LYS  17 -16.995   6.653  -7.939
  140    H    LYS  18           H        LYS  18 -15.147   8.268  -6.028
  141    HA   LYS  18           HA       LYS  18 -15.267  10.155  -3.734
  142   1HB   LYS  18           HB1      LYS  18 -17.502   9.091  -4.076
  143   2HB   LYS  18           HB2      LYS  18 -16.748   7.501  -4.308
  144   1HG   LYS  18           HG1      LYS  18 -17.709   7.403  -2.132
  145   2HG   LYS  18           HG2      LYS  18 -15.998   7.465  -1.868
  146   1HD   LYS  18           HD1      LYS  18 -17.137   8.911  -0.250
  147   2HD   LYS  18           HD2      LYS  18 -15.986   9.838  -1.257
  148   1HE   LYS  18           HE1      LYS  18 -17.866  10.822  -2.581
  149   2HE   LYS  18           HE2      LYS  18 -19.070   9.860  -1.631
  150   1HZ   LYS  18           HZ1      LYS  18 -17.175  11.860  -0.539
  151   2HZ   LYS  18           HZ2      LYS  18 -18.839  12.067  -0.809
  152   3HZ   LYS  18           HZ3      LYS  18 -18.299  10.951   0.352
  153    H    GLN  19           H        GLN  19 -13.802   9.633  -2.025
  154    HA   GLN  19           HA       GLN  19 -12.048   7.403  -2.614
  155   1HB   GLN  19           HB1      GLN  19 -11.140   9.346  -0.481
  156   2HB   GLN  19           HB2      GLN  19 -10.321   8.206  -1.552
  157   1HG   GLN  19           HG1      GLN  19  -9.841  10.431  -2.298
  158   2HG   GLN  19           HG2      GLN  19 -10.860   9.595  -3.522
  159   1HE2  GLN  19           HE21     GLN  19 -12.568  12.722  -3.494
  160   2HE2  GLN  19           HE22     GLN  19 -11.404  11.732  -4.360
  161    H    PHE  20           H        PHE  20 -12.115   5.533  -1.757
  162    HA   PHE  20           HA       PHE  20 -13.682   4.970   0.687
  163   1HB   PHE  20           HB1      PHE  20 -12.811   3.008  -1.547
  164   2HB   PHE  20           HB2      PHE  20 -14.049   2.708  -0.285
  165    HD1  PHE  20           HD1      PHE  20 -16.232   4.349  -0.423
  166    HD2  PHE  20           HD2      PHE  20 -13.425   3.803  -3.685
  167    HE1  PHE  20           HE1      PHE  20 -17.964   4.928  -2.049
  168    HE2  PHE  20           HE2      PHE  20 -15.159   4.459  -5.266
  169    HZ   PHE  20           HZ       PHE  20 -17.450   4.994  -4.467
  170    H    SER  21           H        SER  21 -12.560   3.483   2.268
  171    HA   SER  21           HA       SER  21  -9.810   4.170   2.514
  172   1HB   SER  21           HB1      SER  21 -11.462   4.011   4.443
  173   2HB   SER  21           HB2      SER  21 -11.248   2.232   4.394
  174    HG   SER  21           HG       SER  21  -9.075   4.101   4.618
  175    H    SER  22           H        SER  22  -7.920   3.100   2.666
  176    HA   SER  22           HA       SER  22  -7.631   0.300   1.818
  177   1HB   SER  22           HB1      SER  22  -5.834   1.077   0.063
  178   2HB   SER  22           HB2      SER  22  -7.443   1.625  -0.339
  179    HG   SER  22           HG       SER  22  -5.603   3.188   1.132
  180    H    PHE  23           H        PHE  23  -5.089   0.052   1.544
  181    HA   PHE  23           HA       PHE  23  -3.428   1.262   3.617
  182   1HB   PHE  23           HB1      PHE  23  -4.019  -1.712   3.383
  183   2HB   PHE  23           HB2      PHE  23  -2.448  -1.266   4.025
  184    HD1  PHE  23           HD1      PHE  23  -6.112  -1.163   4.596
  185    HD2  PHE  23           HD2      PHE  23  -2.244  -0.319   6.289
  186    HE1  PHE  23           HE1      PHE  23  -7.143  -0.842   6.796
  187    HE2  PHE  23           HE2      PHE  23  -3.252  -0.059   8.496
  188    HZ   PHE  23           HZ       PHE  23  -5.718  -0.299   8.783
  189    H    TYR  24           H        TYR  24  -1.217   1.110   3.323
  190    HA   TYR  24           HA       TYR  24  -0.103  -0.208   1.036
  191   1HB   TYR  24           HB1      TYR  24   0.897   1.452  -0.263
  192   2HB   TYR  24           HB2      TYR  24  -0.774   2.001  -0.042
  193    HD1  TYR  24           HD1      TYR  24  -1.210   3.869   1.819
  194    HD2  TYR  24           HD2      TYR  24   2.725   2.796   0.359
  195    HE1  TYR  24           HE1      TYR  24  -0.344   5.966   2.667
  196    HE2  TYR  24           HE2      TYR  24   3.610   4.949   1.303
  197    HH   TYR  24           HH       TYR  24   1.461   7.290   2.903
  198    H    PHE  25           H        PHE  25   2.416  -0.173   1.092
  199    HA   PHE  25           HA       PHE  25   3.302  -0.153   3.911
  200   1HB   PHE  25           HB1      PHE  25   3.411  -2.314   2.628
  201   2HB   PHE  25           HB2      PHE  25   4.659  -1.641   1.587
  202    HD1  PHE  25           HD1      PHE  25   6.971  -0.838   2.769
  203    HD2  PHE  25           HD2      PHE  25   3.936  -3.407   4.613
  204    HE1  PHE  25           HE1      PHE  25   8.522  -1.733   4.524
  205    HE2  PHE  25           HE2      PHE  25   5.363  -4.103   6.264
  206    HZ   PHE  25           HZ       PHE  25   7.789  -3.263   6.241
  207    H    LYS  26           H        LYS  26   4.705   1.407   4.642
  208    HA   LYS  26           HA       LYS  26   5.600   3.397   2.825
  209   1HB   LYS  26           HB1      LYS  26   4.642   3.753   5.156
  210   2HB   LYS  26           HB2      LYS  26   6.369   3.737   5.618
  211   1HG   LYS  26           HG1      LYS  26   6.791   5.204   3.491
  212   2HG   LYS  26           HG2      LYS  26   4.971   5.187   3.392
  213   1HD   LYS  26           HD1      LYS  26   4.945   6.948   4.680
  214   2HD   LYS  26           HD2      LYS  26   5.497   5.823   5.988
  215   1HE   LYS  26           HE1      LYS  26   7.015   7.789   6.060
  216   2HE   LYS  26           HE2      LYS  26   7.962   6.434   5.321
  217   1HZ   LYS  26           HZ1      LYS  26   6.526   8.592   3.864
  218   2HZ   LYS  26           HZ2      LYS  26   8.202   8.476   4.114
  219   3HZ   LYS  26           HZ3      LYS  26   7.404   7.321   3.157
  220    H    TRP  27           H        TRP  27   7.376   2.687   1.656
  221    HA   TRP  27           HA       TRP  27   9.404   0.938   2.140
  222   1HB   TRP  27           HB1      TRP  27   8.792   1.876  -0.057
  223   2HB   TRP  27           HB2      TRP  27   8.935   3.457   0.591
  224    HD1  TRP  27           HD1      TRP  27  10.901   4.640  -0.656
  225    HE1  TRP  27           HE1      TRP  27  13.377   4.075  -1.210
  226    HE3  TRP  27           HE3      TRP  27  10.946  -0.184   0.941
  227    HZ2  TRP  27           HZ2      TRP  27  15.145   1.872  -0.841
  228    HZ3  TRP  27           HZ3      TRP  27  13.044  -1.466   0.902
  229    HH2  TRP  27           HH2      TRP  27  15.133  -0.456   0.042
  230    H    THR  28           H        THR  28   9.529   4.491   2.936
  231    HA   THR  28           HA       THR  28  12.182   4.216   4.041
  232    HB   THR  28           HB       THR  28  11.896   6.767   4.477
  233    HG1  THR  28           HG1      THR  28  10.425   7.631   2.942
  234   1HG2  THR  28           HG21     THR  28  11.935   5.553   1.640
  235   2HG2  THR  28           HG22     THR  28  12.526   7.191   2.106
  236   3HG2  THR  28           HG23     THR  28  13.352   5.728   2.738
  237    H    ALA  29           H        ALA  29   9.059   3.636   5.352
  238    HA   ALA  29           HA       ALA  29  10.012   4.411   8.078
  239   1HB   ALA  29           HB1      ALA  29   7.648   5.097   7.525
  240   2HB   ALA  29           HB2      ALA  29   7.204   3.358   7.365
  241   3HB   ALA  29           HB3      ALA  29   7.781   4.017   8.929
  242    H    LYS  30           H        LYS  30   9.071   1.604   6.088
  243    HA   LYS  30           HA       LYS  30   9.577  -0.526   6.202
  244   1HB   LYS  30           HB1      LYS  30  11.706   0.088   7.471
  245   2HB   LYS  30           HB2      LYS  30  10.863  -0.522   8.922
  246   1HG   LYS  30           HG1      LYS  30  12.123  -2.316   8.046
  247   2HG   LYS  30           HG2      LYS  30  10.475  -2.745   7.512
  248   1HD   LYS  30           HD1      LYS  30  11.055  -1.797   5.206
  249   2HD   LYS  30           HD2      LYS  30  12.674  -1.355   5.836
  250   1HE   LYS  30           HE1      LYS  30  13.162  -3.792   6.292
  251   2HE   LYS  30           HE2      LYS  30  11.570  -4.224   5.541
  252   1HZ   LYS  30           HZ1      LYS  30  13.802  -2.747   4.227
  253   2HZ   LYS  30           HZ2      LYS  30  13.387  -4.377   3.986
  254   3HZ   LYS  30           HZ3      LYS  30  12.314  -3.149   3.514
  255    H    LYS  31           H        LYS  31   7.180   0.857   7.194
  256    HA   LYS  31           HA       LYS  31   5.808  -1.354   8.437
  257   1HB   LYS  31           HB1      LYS  31   5.921   1.563   9.528
  258   2HB   LYS  31           HB2      LYS  31   4.659   0.419  10.081
  259   1HG   LYS  31           HG1      LYS  31   6.341  -1.068  11.057
  260   2HG   LYS  31           HG2      LYS  31   7.662   0.047  10.588
  261   1HD   LYS  31           HD1      LYS  31   5.285   0.854  12.376
  262   2HD   LYS  31           HD2      LYS  31   6.873   0.262  12.971
  263   1HE   LYS  31           HE1      LYS  31   8.045   2.201  11.897
  264   2HE   LYS  31           HE2      LYS  31   6.456   2.845  11.315
  265   1HZ   LYS  31           HZ1      LYS  31   7.217   2.372  14.148
  266   2HZ   LYS  31           HZ2      LYS  31   7.141   3.869  13.350
  267   3HZ   LYS  31           HZ3      LYS  31   5.724   2.966  13.596
  268    H    CYS  32           H        CYS  32   3.398  -0.918   8.449
  269    HA   CYS  32           HA       CYS  32   2.550  -0.034   5.834
  270   1HB   CYS  32           HB1      CYS  32   1.107  -1.459   8.216
  271   2HB   CYS  32           HB2      CYS  32   0.380  -1.256   6.563
  272    H    LEU  33           H        LEU  33   0.922   1.514   5.422
  273    HA   LEU  33           HA       LEU  33  -0.108   3.128   7.680
  274   1HB   LEU  33           HB1      LEU  33   0.683   4.220   4.889
  275   2HB   LEU  33           HB2      LEU  33  -0.028   5.154   6.239
  276    HG   LEU  33           HG       LEU  33   2.818   4.017   6.076
  277   1HD1  LEU  33           HD11     LEU  33   1.579   6.840   6.179
  278   2HD1  LEU  33           HD12     LEU  33   3.331   6.478   6.342
  279   3HD1  LEU  33           HD13     LEU  33   2.469   6.050   4.816
  280   1HD2  LEU  33           HD21     LEU  33   1.357   5.517   8.390
  281   2HD2  LEU  33           HD22     LEU  33   1.979   3.835   8.512
  282   3HD2  LEU  33           HD23     LEU  33   3.120   5.200   8.319
  283    HA   PRO  34           HA       PRO  34  -3.859   2.559   4.923
  284   1HB   PRO  34           HB1      PRO  34  -5.800   3.468   6.474
  285   2HB   PRO  34           HB2      PRO  34  -4.747   2.303   7.156
  286   1HG   PRO  34           HG1      PRO  34  -4.342   5.279   7.680
  287   2HG   PRO  34           HG2      PRO  34  -4.478   3.949   8.901
  288   1HD   PRO  34           HD1      PRO  34  -2.029   4.933   7.674
  289   2HD   PRO  34           HD2      PRO  34  -2.210   3.326   8.530
  290    H    PHE  35           H        PHE  35  -5.188   3.716   3.724
  291    HA   PHE  35           HA       PHE  35  -4.974   6.573   3.547
  292   1HB   PHE  35           HB1      PHE  35  -3.969   7.073   1.497
  293   2HB   PHE  35           HB2      PHE  35  -2.878   5.926   2.268
  294    HD1  PHE  35           HD1      PHE  35  -3.430   3.316   1.521
  295    HD2  PHE  35           HD2      PHE  35  -4.357   6.838  -0.887
  296    HE1  PHE  35           HE1      PHE  35  -3.296   1.983  -0.549
  297    HE2  PHE  35           HE2      PHE  35  -4.198   5.461  -2.871
  298    HZ   PHE  35           HZ       PHE  35  -3.713   3.051  -2.740
  299    H    LEU  36           H        LEU  36  -6.107   6.709   0.846
  300    HA   LEU  36           HA       LEU  36  -8.694   5.434   1.078
  301   1HB   LEU  36           HB1      LEU  36  -7.958   8.454   0.923
  302   2HB   LEU  36           HB2      LEU  36  -9.576   7.864   0.428
  303    HG   LEU  36           HG       LEU  36  -8.589   7.365   3.248
  304   1HD1  LEU  36           HD11     LEU  36  -8.348   9.812   2.824
  305   2HD1  LEU  36           HD12     LEU  36 -10.056   9.879   2.247
  306   3HD1  LEU  36           HD13     LEU  36  -9.694   9.443   3.957
  307   1HD2  LEU  36           HD21     LEU  36 -11.350   7.625   1.873
  308   2HD2  LEU  36           HD22     LEU  36 -10.563   6.114   2.468
  309   3HD2  LEU  36           HD23     LEU  36 -11.085   7.366   3.645
  310    H    PHE  37           H        PHE  37  -9.413   5.086  -1.005
  311    HA   PHE  37           HA       PHE  37  -7.684   5.764  -3.364
  312   1HB   PHE  37           HB1      PHE  37  -7.329   3.452  -2.902
  313   2HB   PHE  37           HB2      PHE  37  -9.042   3.259  -2.321
  314    HD1  PHE  37           HD1      PHE  37  -7.205   3.941  -5.718
  315    HD2  PHE  37           HD2      PHE  37 -10.557   2.188  -3.586
  316    HE1  PHE  37           HE1      PHE  37  -7.843   2.708  -7.695
  317    HE2  PHE  37           HE2      PHE  37 -11.272   1.090  -5.670
  318    HZ   PHE  37           HZ       PHE  37  -9.832   1.253  -7.716
  319    H    SER  38           H        SER  38  -8.740   7.022  -5.018
  320    HA   SER  38           HA       SER  38 -11.479   7.799  -4.720
  321   1HB   SER  38           HB1      SER  38  -9.690   8.376  -7.172
  322   2HB   SER  38           HB2      SER  38 -11.254   9.174  -6.772
  323    HG   SER  38           HG       SER  38  -8.979  10.098  -6.201
  324    H    GLY  39           H        GLY  39 -10.521   4.879  -5.951
  325   1HA   GLY  39           HA1      GLY  39 -11.667   3.309  -6.903
  326   2HA   GLY  39           HA2      GLY  39 -13.034   4.279  -7.204
  327    H    CYS  40           H        CYS  40 -11.473   6.108  -8.991
  328    HA   CYS  40           HA       CYS  40 -10.688   4.306 -11.236
  329   1HB   CYS  40           HB1      CYS  40 -11.736   6.245 -12.745
  330   2HB   CYS  40           HB2      CYS  40 -12.699   4.934 -12.042
  331    H    GLY  41           H        GLY  41  -9.031   5.258  -9.243
  332   1HA   GLY  41           HA1      GLY  41  -7.162   6.956 -10.816
  333   2HA   GLY  41           HA2      GLY  41  -7.712   7.461  -9.181
  334    H    GLY  42           H        GLY  42  -6.991   4.025  -9.796
  335   1HA   GLY  42           HA1      GLY  42  -4.580   4.313  -8.082
  336   2HA   GLY  42           HA2      GLY  42  -5.600   2.872  -8.349
  337    H    ASN  43           H        ASN  43  -3.040   2.388  -8.320
  338    HA   ASN  43           HA       ASN  43  -2.465   1.785 -11.151
  339   1HB   ASN  43           HB1      ASN  43  -0.038   2.096 -10.893
  340   2HB   ASN  43           HB2      ASN  43  -0.956   3.608 -10.695
  341   1HD2  ASN  43           HD21     ASN  43   1.593   3.403  -7.916
  342   2HD2  ASN  43           HD22     ASN  43   1.678   3.517  -9.679
  343    H    ALA  44           H        ALA  44  -0.483   0.812  -8.431
  344    HA   ALA  44           HA       ALA  44  -1.335  -2.014  -8.828
  345   1HB   ALA  44           HB1      ALA  44   0.578  -1.437 -10.360
  346   2HB   ALA  44           HB2      ALA  44   1.605  -1.061  -8.937
  347   3HB   ALA  44           HB3      ALA  44   0.987  -2.745  -9.206
  348    H    ASN  45           H        ASN  45   0.170   0.380  -6.525
  349    HA   ASN  45           HA       ASN  45   0.594  -1.794  -4.595
  350   1HB   ASN  45           HB1      ASN  45   2.174   0.251  -5.040
  351   2HB   ASN  45           HB2      ASN  45   1.073   1.246  -4.113
  352   1HD2  ASN  45           HD21     ASN  45   3.422   0.220  -1.548
  353   2HD2  ASN  45           HD22     ASN  45   2.899   1.506  -2.586
  354    H    ARG  46           H        ARG  46  -1.966  -2.180  -4.540
  355    HA   ARG  46           HA       ARG  46  -2.816  -0.651  -2.180
  356   1HB   ARG  46           HB1      ARG  46  -5.132  -0.330  -2.821
  357   2HB   ARG  46           HB2      ARG  46  -3.929   0.735  -3.568
  358   1HG   ARG  46           HG1      ARG  46  -5.219  -1.656  -4.947
  359   2HG   ARG  46           HG2      ARG  46  -5.834   0.025  -4.977
  360   1HD   ARG  46           HD1      ARG  46  -3.415  -1.131  -6.430
  361   2HD   ARG  46           HD2      ARG  46  -4.777  -0.203  -7.134
  362    HE   ARG  46           HE       ARG  46  -2.269   0.849  -5.991
  363   1HH1  ARG  46           HH11     ARG  46  -5.603   1.982  -5.773
  364   2HH1  ARG  46           HH12     ARG  46  -4.964   3.649  -5.706
  365   1HH2  ARG  46           HH21     ARG  46  -1.811   2.953  -6.466
  366   2HH2  ARG  46           HH22     ARG  46  -3.025   4.085  -5.863
  367    H    PHE  47           H        PHE  47  -3.367  -1.630  -0.658
  368    HA   PHE  47           HA       PHE  47  -3.800  -4.540  -0.693
  369   1HB   PHE  47           HB1      PHE  47  -2.878  -2.476   1.407
  370   2HB   PHE  47           HB2      PHE  47  -2.903  -4.185   1.828
  371    HD1  PHE  47           HD1      PHE  47  -1.595  -4.811  -1.319
  372    HD2  PHE  47           HD2      PHE  47  -0.606  -2.401   2.141
  373    HE1  PHE  47           HE1      PHE  47   0.715  -4.709  -2.038
  374    HE2  PHE  47           HE2      PHE  47   1.727  -2.440   1.435
  375    HZ   PHE  47           HZ       PHE  47   2.409  -3.485  -0.684
  376    H    GLN  48           H        GLN  48  -5.565  -5.420   0.152
  377    HA   GLN  48           HA       GLN  48  -7.891  -3.722   0.442
  378   1HB   GLN  48           HB1      GLN  48  -7.741  -6.759   0.970
  379   2HB   GLN  48           HB2      GLN  48  -9.218  -5.768   0.716
  380   1HG   GLN  48           HG1      GLN  48  -8.516  -5.337  -1.699
  381   2HG   GLN  48           HG2      GLN  48  -7.102  -6.418  -1.462
  382   1HE2  GLN  48           HE21     GLN  48  -9.431  -9.261  -0.964
  383   2HE2  GLN  48           HE22     GLN  48  -7.911  -8.643  -0.338
  384    H    THR  49           H        THR  49  -6.105  -5.716   2.873
  385    HA   THR  49           HA       THR  49  -7.280  -4.043   5.003
  386    HB   THR  49           HB       THR  49  -7.289  -6.062   6.522
  387    HG1  THR  49           HG1      THR  49  -7.396  -8.089   5.522
  388   1HG2  THR  49           HG21     THR  49  -9.403  -5.225   5.402
  389   2HG2  THR  49           HG22     THR  49  -9.121  -6.389   4.060
  390   3HG2  THR  49           HG23     THR  49  -9.428  -6.995   5.722
  391    H    ILE  50           H        ILE  50  -5.792  -4.345   7.005
  392    HA   ILE  50           HA       ILE  50  -3.249  -3.444   6.470
  393    HB   ILE  50           HB       ILE  50  -4.622  -2.894   8.367
  394   1HG1  ILE  50           HG11     ILE  50  -1.961  -4.045   9.388
  395   2HG1  ILE  50           HG12     ILE  50  -2.126  -2.553   8.402
  396   1HG2  ILE  50           HG21     ILE  50  -5.595  -5.208   8.829
  397   2HG2  ILE  50           HG22     ILE  50  -4.021  -5.665   9.576
  398   3HG2  ILE  50           HG23     ILE  50  -5.011  -4.347  10.283
  399   1HD1  ILE  50           HD11     ILE  50  -3.638  -1.578  10.165
  400   2HD1  ILE  50           HD12     ILE  50  -3.342  -3.025  11.205
  401   3HD1  ILE  50           HD13     ILE  50  -1.978  -1.936  10.756
  402    H    GLY  51           H        GLY  51  -4.232  -6.789   6.880
  403   1HA   GLY  51           HA1      GLY  51  -1.572  -7.726   7.549
  404   2HA   GLY  51           HA2      GLY  51  -3.025  -8.677   7.301
  405    H    GLU  52           H        GLU  52  -3.034  -6.969   4.569
  406    HA   GLU  52           HA       GLU  52  -1.548  -8.923   2.976
  407   1HB   GLU  52           HB1      GLU  52  -3.903  -8.366   2.512
  408   2HB   GLU  52           HB2      GLU  52  -3.493  -6.635   2.357
  409   1HG   GLU  52           HG1      GLU  52  -4.042  -7.799   0.201
  410   2HG   GLU  52           HG2      GLU  52  -2.509  -6.941   0.194
  411    H    CYS  53           H        CYS  53  -0.784  -6.180   4.584
  412    HA   CYS  53           HA       CYS  53   0.877  -4.776   2.694
  413   1HB   CYS  53           HB1      CYS  53  -0.592  -3.712   4.605
  414   2HB   CYS  53           HB2      CYS  53   0.427  -4.477   5.748
  415    H    ARG  54           H        ARG  54   1.307  -6.634   5.551
  416    HA   ARG  54           HA       ARG  54   4.252  -6.745   5.493
  417   1HB   ARG  54           HB1      ARG  54   4.402  -7.361   7.503
  418   2HB   ARG  54           HB2      ARG  54   3.175  -6.097   7.515
  419   1HG   ARG  54           HG1      ARG  54   2.568  -9.127   7.885
  420   2HG   ARG  54           HG2      ARG  54   2.857  -7.902   9.157
  421   1HD   ARG  54           HD1      ARG  54   0.880  -6.537   8.102
  422   2HD   ARG  54           HD2      ARG  54   0.492  -8.134   7.313
  423    HE   ARG  54           HE       ARG  54   0.021  -9.089   9.463
  424   1HH1  ARG  54           HH11     ARG  54   1.678  -6.157   9.965
  425   2HH1  ARG  54           HH12     ARG  54   1.106  -5.873  11.594
  426   1HH2  ARG  54           HH21     ARG  54  -0.810  -8.734  11.595
  427   2HH2  ARG  54           HH22     ARG  54  -0.311  -7.341  12.494
  428    H    LYS  55           H        LYS  55   1.517  -8.796   4.651
  429    HA   LYS  55           HA       LYS  55   3.030 -11.175   4.175
  430   1HB   LYS  55           HB1      LYS  55   0.520 -10.956   4.587
  431   2HB   LYS  55           HB2      LYS  55   0.347 -10.329   2.922
  432   1HG   LYS  55           HG1      LYS  55  -0.310 -12.612   3.003
  433   2HG   LYS  55           HG2      LYS  55   1.240 -12.635   2.114
  434   1HD   LYS  55           HD1      LYS  55   1.252 -13.061   5.166
  435   2HD   LYS  55           HD2      LYS  55   0.544 -14.358   4.147
  436   1HE   LYS  55           HE1      LYS  55   3.421 -13.298   3.821
  437   2HE   LYS  55           HE2      LYS  55   2.928 -14.788   4.721
  438   1HZ   LYS  55           HZ1      LYS  55   1.982 -15.648   2.684
  439   2HZ   LYS  55           HZ2      LYS  55   2.437 -14.250   1.834
  440   3HZ   LYS  55           HZ3      LYS  55   3.627 -15.273   2.485
  441    H    LYS  56           H        LYS  56   2.607  -8.284   2.239
  442    HA   LYS  56           HA       LYS  56   4.035  -9.523  -0.029
  443   1HB   LYS  56           HB1      LYS  56   2.266  -7.064   0.226
  444   2HB   LYS  56           HB2      LYS  56   3.541  -7.054  -1.016
  445   1HG   LYS  56           HG1      LYS  56   2.847  -9.173  -1.923
  446   2HG   LYS  56           HG2      LYS  56   1.389  -9.208  -0.888
  447   1HD   LYS  56           HD1      LYS  56   1.815  -6.693  -2.741
  448   2HD   LYS  56           HD2      LYS  56   1.399  -8.260  -3.475
  449   1HE   LYS  56           HE1      LYS  56  -0.624  -8.552  -2.132
  450   2HE   LYS  56           HE2      LYS  56  -0.295  -7.031  -1.221
  451   1HZ   LYS  56           HZ1      LYS  56  -0.678  -7.279  -4.165
  452   2HZ   LYS  56           HZ2      LYS  56  -1.813  -6.700  -3.040
  453   3HZ   LYS  56           HZ3      LYS  56  -0.374  -5.839  -3.315
  454    H    CYS  57           H        CYS  57   4.510  -7.136   2.626
  455    HA   CYS  57           HA       CYS  57   7.235  -6.578   1.536
  456   1HB   CYS  57           HB1      CYS  57   5.219  -4.728   2.894
  457   2HB   CYS  57           HB2      CYS  57   6.922  -4.267   2.652
  458    H    LEU  58           H        LEU  58   6.251  -8.375   4.329
  459    HA   LEU  58           HA       LEU  58   8.869  -7.407   5.431
  460   1HB   LEU  58           HB1      LEU  58   6.365  -7.645   7.018
  461   2HB   LEU  58           HB2      LEU  58   7.938  -7.993   7.817
  462    HG   LEU  58           HG       LEU  58   7.301  -5.419   6.412
  463   1HD1  LEU  58           HD11     LEU  58   5.939  -5.702   8.540
  464   2HD1  LEU  58           HD12     LEU  58   7.448  -6.093   9.441
  465   3HD1  LEU  58           HD13     LEU  58   7.219  -4.445   8.765
  466   1HD2  LEU  58           HD21     LEU  58   9.732  -6.198   8.122
  467   2HD2  LEU  58           HD22     LEU  58   9.721  -5.728   6.373
  468   3HD2  LEU  58           HD23     LEU  58   9.295  -4.518   7.624
  469    H    GLY  59           H        GLY  59   6.932 -10.068   4.453
  470   1HA   GLY  59           HA1      GLY  59   7.257 -12.214   4.294
  471   2HA   GLY  59           HA2      GLY  59   8.879 -12.068   5.093
  472    H    LYS  60           H        LYS  60   5.372 -11.553   5.994
  473    HA   LYS  60           HA       LYS  60   5.451 -13.459   8.083
  474   1HB   LYS  60           HB1      LYS  60   4.662 -11.576   9.693
  475   2HB   LYS  60           HB2      LYS  60   6.438 -11.652   9.424
  476   1HG   LYS  60           HG1      LYS  60   6.405  -9.717   7.915
  477   2HG   LYS  60           HG2      LYS  60   4.652  -9.747   7.779
  478   1HD   LYS  60           HD1      LYS  60   5.188  -7.936   9.128
  479   2HD   LYS  60           HD2      LYS  60   4.382  -9.166  10.179
  480   1HE   LYS  60           HE1      LYS  60   6.757  -9.729  11.063
  481   2HE   LYS  60           HE2      LYS  60   7.346  -8.364  10.036
  482   1HZ   LYS  60           HZ1      LYS  60   5.889  -6.882  11.234
  483   2HZ   LYS  60           HZ2      LYS  60   5.309  -8.156  12.198
  484   3HZ   LYS  60           HZ3      LYS  60   6.938  -7.682  12.303
   
  No H/Q in entry =         484
  Start of MODEL    5
    1    H    TRP   1           H        TRP   1  10.833 -13.223   4.278
    2    HA   TRP   1           HA       TRP   1  10.555 -12.623   1.442
    3   1HB   TRP   1           HB1      TRP   1   8.514 -12.009   2.449
    4   2HB   TRP   1           HB2      TRP   1   9.203 -11.278   3.907
    5    HD1  TRP   1           HD1      TRP   1   7.867 -10.147   0.500
    6    HE1  TRP   1           HE1      TRP   1   8.144  -7.743   0.319
    7    HE3  TRP   1           HE3      TRP   1  10.960  -9.434   4.549
    8    HZ2  TRP   1           HZ2      TRP   1   9.652  -5.646   1.610
    9    HZ3  TRP   1           HZ3      TRP   1  11.793  -7.153   4.989
   10    HH2  TRP   1           HH2      TRP   1  11.102  -5.248   3.486
   11    H    GLN   2           H        GLN   2  11.664 -10.883   0.501
   12    HA   GLN   2           HA       GLN   2  13.617  -9.336   1.959
   13   1HB   GLN   2           HB1      GLN   2  14.239 -10.813  -0.700
   14   2HB   GLN   2           HB2      GLN   2  15.226  -9.492   0.011
   15   1HG   GLN   2           HG1      GLN   2  15.688 -10.907   2.043
   16   2HG   GLN   2           HG2      GLN   2  14.832 -12.289   1.272
   17   1HE2  GLN   2           HE21     GLN   2  17.480 -12.596  -1.264
   18   2HE2  GLN   2           HE22     GLN   2  15.738 -12.706  -1.143
   19    HA   PRO   3           HA       PRO   3  10.836  -6.857  -0.238
   20   1HB   PRO   3           HB1      PRO   3  12.281  -4.365  -0.764
   21   2HB   PRO   3           HB2      PRO   3  11.219  -4.868   0.601
   22   1HG   PRO   3           HG1      PRO   3  14.200  -4.725   0.485
   23   2HG   PRO   3           HG2      PRO   3  13.157  -4.921   1.923
   24   1HD   PRO   3           HD1      PRO   3  14.713  -6.964   0.483
   25   2HD   PRO   3           HD2      PRO   3  13.699  -7.164   1.989
   26    HA   PRO   4           HA       PRO   4  11.624  -7.135  -4.771
   27   1HB   PRO   4           HB1      PRO   4   9.100  -7.984  -5.509
   28   2HB   PRO   4           HB2      PRO   4  10.039  -8.969  -4.353
   29   1HG   PRO   4           HG1      PRO   4   8.042  -6.870  -3.579
   30   2HG   PRO   4           HG2      PRO   4   8.131  -8.651  -3.059
   31   1HD   PRO   4           HD1      PRO   4   9.063  -6.537  -1.562
   32   2HD   PRO   4           HD2      PRO   4   9.795  -8.207  -1.597
   33    H    TRP   5           H        TRP   5   8.512  -6.202  -5.646
   34    HA   TRP   5           HA       TRP   5   9.217  -3.450  -6.282
   35   1HB   TRP   5           HB1      TRP   5   7.239  -3.247  -7.731
   36   2HB   TRP   5           HB2      TRP   5   8.381  -4.509  -8.170
   37    HD1  TRP   5           HD1      TRP   5   7.595  -6.841  -8.453
   38    HE1  TRP   5           HE1      TRP   5   5.175  -7.867  -8.943
   39    HE3  TRP   5           HE3      TRP   5   4.547  -3.355  -6.288
   40    HZ2  TRP   5           HZ2      TRP   5   2.492  -6.984  -8.850
   41    HZ3  TRP   5           HZ3      TRP   5   2.269  -3.228  -6.744
   42    HH2  TRP   5           HH2      TRP   5   1.149  -5.090  -7.987
   43    H    TYR   6           H        TYR   6   6.382  -5.003  -4.710
   44    HA   TYR   6           HA       TYR   6   4.744  -2.937  -4.120
   45   1HB   TYR   6           HB1      TYR   6   4.818  -5.067  -1.950
   46   2HB   TYR   6           HB2      TYR   6   3.506  -4.522  -3.047
   47    HD1  TYR   6           HD1      TYR   6   3.373  -5.658  -5.372
   48    HD2  TYR   6           HD2      TYR   6   6.134  -6.676  -2.331
   49    HE1  TYR   6           HE1      TYR   6   3.679  -7.861  -6.474
   50    HE2  TYR   6           HE2      TYR   6   6.251  -9.102  -3.337
   51    HH   TYR   6           HH       TYR   6   5.615 -10.409  -5.018
   52    H    CYS   7           H        CYS   7   7.722  -3.009  -2.640
   53    HA   CYS   7           HA       CYS   7   6.611  -1.765  -0.224
   54   1HB   CYS   7           HB1      CYS   7   9.537  -2.588  -0.445
   55   2HB   CYS   7           HB2      CYS   7   8.524  -2.240   0.991
   56    H    LYS   8           H        LYS   8   8.457  -1.337  -3.141
   57    HA   LYS   8           HA       LYS   8   9.455   1.351  -2.587
   58   1HB   LYS   8           HB1      LYS   8  10.006  -0.447  -5.067
   59   2HB   LYS   8           HB2      LYS   8  10.918   0.930  -4.525
   60   1HG   LYS   8           HG1      LYS   8  11.486  -0.462  -2.284
   61   2HG   LYS   8           HG2      LYS   8  10.783  -1.869  -3.093
   62   1HD   LYS   8           HD1      LYS   8  13.314  -0.440  -3.974
   63   2HD   LYS   8           HD2      LYS   8  13.003  -2.165  -3.530
   64   1HE   LYS   8           HE1      LYS   8  11.679  -2.429  -5.669
   65   2HE   LYS   8           HE2      LYS   8  12.103  -0.732  -6.117
   66   1HZ   LYS   8           HZ1      LYS   8  14.023  -2.925  -5.578
   67   2HZ   LYS   8           HZ2      LYS   8  13.575  -2.307  -7.096
   68   3HZ   LYS   8           HZ3      LYS   8  14.414  -1.325  -5.993
   69    H    GLU   9           H        GLU   9   6.391   0.651  -3.423
   70    HA   GLU   9           HA       GLU   9   6.344   1.985  -6.038
   71   1HB   GLU   9           HB1      GLU   9   5.273  -0.343  -5.337
   72   2HB   GLU   9           HB2      GLU   9   3.920   0.738  -4.977
   73   1HG   GLU   9           HG1      GLU   9   3.404   0.487  -7.150
   74   2HG   GLU   9           HG2      GLU   9   4.632   1.732  -7.491
   75    HA   PRO  10           HA       PRO  10   5.363   5.514  -3.481
   76   1HB   PRO  10           HB1      PRO  10   4.716   7.015  -6.072
   77   2HB   PRO  10           HB2      PRO  10   5.951   7.427  -4.804
   78   1HG   PRO  10           HG1      PRO  10   6.712   6.373  -7.101
   79   2HG   PRO  10           HG2      PRO  10   7.409   5.692  -5.580
   80   1HD   PRO  10           HD1      PRO  10   4.967   4.584  -7.125
   81   2HD   PRO  10           HD2      PRO  10   6.508   3.739  -6.684
   82    H    VAL  11           H        VAL  11   3.401   6.958  -2.558
   83    HA   VAL  11           HA       VAL  11   0.901   5.770  -3.074
   84    HB   VAL  11           HB       VAL  11   1.720   6.507  -0.931
   85   1HG1  VAL  11           HG11     VAL  11   2.623   8.804  -1.605
   86   2HG1  VAL  11           HG12     VAL  11   0.924   9.378  -1.772
   87   3HG1  VAL  11           HG13     VAL  11   1.536   8.825  -0.171
   88   1HG2  VAL  11           HG21     VAL  11  -0.645   5.881  -1.346
   89   2HG2  VAL  11           HG22     VAL  11  -0.484   7.165  -0.091
   90   3HG2  VAL  11           HG23     VAL  11  -1.054   7.605  -1.727
   91    H    ARG  12           H        ARG  12  -0.851   6.252  -4.125
   92    HA   ARG  12           HA       ARG  12  -1.031   8.502  -5.992
   93   1HB   ARG  12           HB1      ARG  12  -2.913   6.031  -5.949
   94   2HB   ARG  12           HB2      ARG  12  -2.678   7.191  -7.267
   95   1HG   ARG  12           HG1      ARG  12  -1.916   5.009  -7.772
   96   2HG   ARG  12           HG2      ARG  12  -0.572   6.154  -7.932
   97   1HD   ARG  12           HD1      ARG  12   0.100   3.948  -6.934
   98   2HD   ARG  12           HD2      ARG  12   0.475   5.418  -5.962
   99    HE   ARG  12           HE       ARG  12  -2.038   4.799  -5.007
  100   1HH1  ARG  12           HH11     ARG  12   0.355   2.591  -5.519
  101   2HH1  ARG  12           HH12     ARG  12   0.159   1.811  -3.949
  102   1HH2  ARG  12           HH21     ARG  12  -1.852   4.548  -2.874
  103   2HH2  ARG  12           HH22     ARG  12  -0.888   3.249  -2.257
  104    H    ILE  13           H        ILE  13  -3.538   8.864  -6.385
  105    HA   ILE  13           HA       ILE  13  -5.373   8.107  -4.545
  106    HB   ILE  13           HB       ILE  13  -4.341  10.336  -3.532
  107   1HG1  ILE  13           HG11     ILE  13  -7.131   9.038  -3.424
  108   2HG1  ILE  13           HG12     ILE  13  -5.617   8.546  -2.580
  109   1HG2  ILE  13           HG21     ILE  13  -5.465  11.944  -5.217
  110   2HG2  ILE  13           HG22     ILE  13  -7.067  11.182  -4.788
  111   3HG2  ILE  13           HG23     ILE  13  -6.125  12.127  -3.586
  112   1HD1  ILE  13           HD11     ILE  13  -7.026  11.230  -1.922
  113   2HD1  ILE  13           HD12     ILE  13  -7.475   9.672  -1.139
  114   3HD1  ILE  13           HD13     ILE  13  -5.781  10.288  -0.984
  115    H    GLY  14           H        GLY  14  -5.038  10.442  -7.255
  116   1HA   GLY  14           HA1      GLY  14  -6.300  10.497  -9.205
  117   2HA   GLY  14           HA2      GLY  14  -7.150   9.037  -8.632
  118    H    SER  15           H        SER  15  -9.253  10.003  -9.449
  119    HA   SER  15           HA       SER  15 -10.775  11.140  -7.478
  120   1HB   SER  15           HB1      SER  15  -9.951  13.151  -9.692
  121   2HB   SER  15           HB2      SER  15 -11.504  13.290  -8.789
  122    HG   SER  15           HG       SER  15  -9.069  13.022  -7.382
  123    H    CYS  16           H        CYS  16 -12.862  10.441  -8.142
  124    HA   CYS  16           HA       CYS  16 -13.635   9.984 -10.782
  125   1HB   CYS  16           HB1      CYS  16 -11.715   8.075 -10.219
  126   2HB   CYS  16           HB2      CYS  16 -13.047   7.175  -9.580
  127    H    LYS  17           H        LYS  17 -13.720   8.188  -7.758
  128    HA   LYS  17           HA       LYS  17 -16.676   8.146  -7.775
  129   1HB   LYS  17           HB1      LYS  17 -14.638   6.327  -6.342
  130   2HB   LYS  17           HB2      LYS  17 -16.425   6.131  -6.253
  131   1HG   LYS  17           HG1      LYS  17 -14.673   5.944  -8.774
  132   2HG   LYS  17           HG2      LYS  17 -15.080   4.554  -7.750
  133   1HD   LYS  17           HD1      LYS  17 -17.130   6.326  -9.285
  134   2HD   LYS  17           HD2      LYS  17 -16.458   4.755  -9.830
  135   1HE   LYS  17           HE1      LYS  17 -17.490   3.630  -7.790
  136   2HE   LYS  17           HE2      LYS  17 -18.322   5.191  -7.400
  137   1HZ   LYS  17           HZ1      LYS  17 -18.571   3.645  -9.930
  138   2HZ   LYS  17           HZ2      LYS  17 -19.705   3.717  -8.668
  139   3HZ   LYS  17           HZ3      LYS  17 -19.351   5.110  -9.573
  140    H    LYS  18           H        LYS  18 -14.871   7.420  -4.926
  141    HA   LYS  18           HA       LYS  18 -15.381   9.859  -3.474
  142   1HB   LYS  18           HB1      LYS  18 -17.542   8.596  -3.185
  143   2HB   LYS  18           HB2      LYS  18 -16.661   7.070  -2.974
  144   1HG   LYS  18           HG1      LYS  18 -17.505   7.678  -0.816
  145   2HG   LYS  18           HG2      LYS  18 -15.766   7.929  -0.751
  146   1HD   LYS  18           HD1      LYS  18 -16.508  10.488  -1.528
  147   2HD   LYS  18           HD2      LYS  18 -18.055   9.956  -0.811
  148   1HE   LYS  18           HE1      LYS  18 -16.768  11.183   0.879
  149   2HE   LYS  18           HE2      LYS  18 -16.743   9.439   1.370
  150   1HZ   LYS  18           HZ1      LYS  18 -14.614  10.907  -0.116
  151   2HZ   LYS  18           HZ2      LYS  18 -14.586  10.473   1.525
  152   3HZ   LYS  18           HZ3      LYS  18 -14.565   9.269   0.326
  153    H    GLN  19           H        GLN  19 -14.029   9.381  -1.332
  154    HA   GLN  19           HA       GLN  19 -11.660   7.809  -2.101
  155   1HB   GLN  19           HB1      GLN  19 -11.604   9.421   0.492
  156   2HB   GLN  19           HB2      GLN  19 -10.335   9.099  -0.717
  157   1HG   GLN  19           HG1      GLN  19 -12.623  11.168  -0.928
  158   2HG   GLN  19           HG2      GLN  19 -10.890  11.441  -0.536
  159   1HE2  GLN  19           HE21     GLN  19  -9.901  10.613  -4.003
  160   2HE2  GLN  19           HE22     GLN  19  -9.344  10.469  -2.361
  161    H    PHE  20           H        PHE  20 -11.503   5.705  -1.382
  162    HA   PHE  20           HA       PHE  20 -13.131   4.886   0.989
  163   1HB   PHE  20           HB1      PHE  20 -11.916   3.054  -1.173
  164   2HB   PHE  20           HB2      PHE  20 -13.187   2.640   0.030
  165    HD1  PHE  20           HD1      PHE  20 -15.378   4.361  -0.141
  166    HD2  PHE  20           HD2      PHE  20 -12.631   3.490  -3.384
  167    HE1  PHE  20           HE1      PHE  20 -17.104   4.905  -1.780
  168    HE2  PHE  20           HE2      PHE  20 -14.378   4.024  -4.993
  169    HZ   PHE  20           HZ       PHE  20 -16.656   4.695  -4.208
  170    H    SER  21           H        SER  21 -11.966   4.173   2.862
  171    HA   SER  21           HA       SER  21  -9.174   4.596   2.992
  172   1HB   SER  21           HB1      SER  21 -10.719   4.993   4.921
  173   2HB   SER  21           HB2      SER  21 -10.820   3.217   5.163
  174    HG   SER  21           HG       SER  21  -9.177   3.938   6.471
  175    H    SER  22           H        SER  22  -7.467   3.517   2.799
  176    HA   SER  22           HA       SER  22  -7.536   0.551   2.472
  177   1HB   SER  22           HB1      SER  22  -5.939   0.849   0.548
  178   2HB   SER  22           HB2      SER  22  -7.316   1.913   0.273
  179    HG   SER  22           HG       SER  22  -5.852   3.461   1.675
  180    H    PHE  23           H        PHE  23  -4.822   0.295   1.975
  181    HA   PHE  23           HA       PHE  23  -3.178   1.271   4.141
  182   1HB   PHE  23           HB1      PHE  23  -3.624  -1.800   3.579
  183   2HB   PHE  23           HB2      PHE  23  -2.332  -1.129   4.554
  184    HD1  PHE  23           HD1      PHE  23  -2.958   0.111   6.733
  185    HD2  PHE  23           HD2      PHE  23  -5.879  -1.919   4.342
  186    HE1  PHE  23           HE1      PHE  23  -4.591   0.144   8.662
  187    HE2  PHE  23           HE2      PHE  23  -7.476  -1.885   6.233
  188    HZ   PHE  23           HZ       PHE  23  -6.815  -0.845   8.390
  189    H    TYR  24           H        TYR  24  -1.092   1.736   3.227
  190    HA   TYR  24           HA       TYR  24  -0.210   0.011   1.004
  191   1HB   TYR  24           HB1      TYR  24   0.596   1.631  -0.460
  192   2HB   TYR  24           HB2      TYR  24  -1.004   2.269   0.018
  193    HD1  TYR  24           HD1      TYR  24  -1.050   4.002   1.925
  194    HD2  TYR  24           HD2      TYR  24   2.554   2.873  -0.133
  195    HE1  TYR  24           HE1      TYR  24   0.002   6.060   2.746
  196    HE2  TYR  24           HE2      TYR  24   3.652   4.992   0.752
  197    HH   TYR  24           HH       TYR  24   1.931   7.244   2.916
  198    H    PHE  25           H        PHE  25   2.246  -0.245   0.953
  199    HA   PHE  25           HA       PHE  25   3.380   0.032   3.660
  200   1HB   PHE  25           HB1      PHE  25   3.090  -2.281   2.481
  201   2HB   PHE  25           HB2      PHE  25   4.413  -1.791   1.404
  202    HD1  PHE  25           HD1      PHE  25   6.680  -1.008   2.744
  203    HD2  PHE  25           HD2      PHE  25   3.575  -3.500   4.382
  204    HE1  PHE  25           HE1      PHE  25   8.156  -1.823   4.573
  205    HE2  PHE  25           HE2      PHE  25   4.847  -4.128   6.204
  206    HZ   PHE  25           HZ       PHE  25   7.285  -3.239   6.351
  207    H    LYS  26           H        LYS  26   5.009   1.596   3.903
  208    HA   LYS  26           HA       LYS  26   6.026   2.881   1.468
  209   1HB   LYS  26           HB1      LYS  26   4.590   4.171   2.933
  210   2HB   LYS  26           HB2      LYS  26   5.457   3.578   4.381
  211   1HG   LYS  26           HG1      LYS  26   5.607   5.653   3.882
  212   2HG   LYS  26           HG2      LYS  26   7.339   5.177   3.834
  213   1HD   LYS  26           HD1      LYS  26   7.573   5.727   1.561
  214   2HD   LYS  26           HD2      LYS  26   5.798   5.583   1.215
  215   1HE   LYS  26           HE1      LYS  26   6.486   7.918   1.300
  216   2HE   LYS  26           HE2      LYS  26   5.318   7.449   2.634
  217   1HZ   LYS  26           HZ1      LYS  26   7.224   7.320   4.115
  218   2HZ   LYS  26           HZ2      LYS  26   8.294   7.728   2.861
  219   3HZ   LYS  26           HZ3      LYS  26   7.154   8.863   3.408
  220    H    TRP  27           H        TRP  27   8.002   1.933   0.881
  221    HA   TRP  27           HA       TRP  27   9.802   0.495   2.001
  222   1HB   TRP  27           HB1      TRP  27   9.821   1.180  -0.244
  223   2HB   TRP  27           HB2      TRP  27   9.840   2.912   0.120
  224    HD1  TRP  27           HD1      TRP  27  12.012   3.870  -0.755
  225    HE1  TRP  27           HE1      TRP  27  14.413   2.960  -1.218
  226    HE3  TRP  27           HE3      TRP  27  11.333  -0.750   0.967
  227    HZ2  TRP  27           HZ2      TRP  27  15.867   0.540  -0.722
  228    HZ3  TRP  27           HZ3      TRP  27  13.238  -2.398   1.030
  229    HH2  TRP  27           HH2      TRP  27  15.460  -1.765   0.137
  230    H    THR  28           H        THR  28  10.285   4.090   2.335
  231    HA   THR  28           HA       THR  28  12.548   3.721   4.035
  232    HB   THR  28           HB       THR  28  12.412   6.371   4.109
  233    HG1  THR  28           HG1      THR  28  11.372   7.086   2.211
  234   1HG2  THR  28           HG21     THR  28  12.956   4.737   1.558
  235   2HG2  THR  28           HG22     THR  28  13.550   6.404   1.894
  236   3HG2  THR  28           HG23     THR  28  14.109   5.027   2.904
  237    H    ALA  29           H        ALA  29   9.258   3.606   4.735
  238    HA   ALA  29           HA       ALA  29   9.568   4.708   7.472
  239   1HB   ALA  29           HB1      ALA  29   7.488   5.321   6.245
  240   2HB   ALA  29           HB2      ALA  29   7.035   3.587   6.079
  241   3HB   ALA  29           HB3      ALA  29   7.123   4.364   7.713
  242    H    LYS  30           H        LYS  30   9.007   1.725   5.645
  243    HA   LYS  30           HA       LYS  30   9.440  -0.415   5.998
  244   1HB   LYS  30           HB1      LYS  30  11.459   0.370   7.203
  245   2HB   LYS  30           HB2      LYS  30  10.589   0.137   8.745
  246   1HG   LYS  30           HG1      LYS  30  12.116  -1.640   8.142
  247   2HG   LYS  30           HG2      LYS  30  10.471  -2.339   8.270
  248   1HD   LYS  30           HD1      LYS  30  10.324  -2.683   5.920
  249   2HD   LYS  30           HD2      LYS  30  11.592  -1.472   5.532
  250   1HE   LYS  30           HE1      LYS  30  12.206  -4.132   6.992
  251   2HE   LYS  30           HE2      LYS  30  12.327  -3.896   5.200
  252   1HZ   LYS  30           HZ1      LYS  30  13.896  -2.123   5.573
  253   2HZ   LYS  30           HZ2      LYS  30  13.794  -2.328   7.256
  254   3HZ   LYS  30           HZ3      LYS  30  14.430  -3.569   6.285
  255    H    LYS  31           H        LYS  31   7.036   1.112   6.887
  256    HA   LYS  31           HA       LYS  31   5.537  -0.942   8.337
  257   1HB   LYS  31           HB1      LYS  31   5.649   2.119   8.835
  258   2HB   LYS  31           HB2      LYS  31   4.391   1.076   9.578
  259   1HG   LYS  31           HG1      LYS  31   6.086  -0.210  10.787
  260   2HG   LYS  31           HG2      LYS  31   7.385   0.871  10.179
  261   1HD   LYS  31           HD1      LYS  31   4.918   1.838  11.758
  262   2HD   LYS  31           HD2      LYS  31   6.505   1.427  12.490
  263   1HE   LYS  31           HE1      LYS  31   7.634   3.228  11.170
  264   2HE   LYS  31           HE2      LYS  31   6.050   3.692  10.426
  265   1HZ   LYS  31           HZ1      LYS  31   6.685   3.713  13.324
  266   2HZ   LYS  31           HZ2      LYS  31   6.588   5.059  12.293
  267   3HZ   LYS  31           HZ3      LYS  31   5.200   4.136  12.620
  268    H    CYS  32           H        CYS  32   3.168  -0.511   8.182
  269    HA   CYS  32           HA       CYS  32   2.267   0.024   5.481
  270   1HB   CYS  32           HB1      CYS  32   0.949  -1.206   8.048
  271   2HB   CYS  32           HB2      CYS  32   0.127  -1.151   6.429
  272    H    LEU  33           H        LEU  33   1.290   2.090   5.034
  273    HA   LEU  33           HA       LEU  33   0.178   3.575   7.353
  274   1HB   LEU  33           HB1      LEU  33   1.120   4.772   4.728
  275   2HB   LEU  33           HB2      LEU  33   0.565   5.639   6.190
  276    HG   LEU  33           HG       LEU  33   3.115   3.913   5.994
  277   1HD1  LEU  33           HD11     LEU  33   3.278   5.990   4.702
  278   2HD1  LEU  33           HD12     LEU  33   2.722   6.960   6.124
  279   3HD1  LEU  33           HD13     LEU  33   4.296   6.082   6.191
  280   1HD2  LEU  33           HD21     LEU  33   2.021   5.655   8.305
  281   2HD2  LEU  33           HD22     LEU  33   2.208   3.864   8.335
  282   3HD2  LEU  33           HD23     LEU  33   3.658   4.919   8.239
  283    HA   PRO  34           HA       PRO  34  -3.699   3.014   4.990
  284   1HB   PRO  34           HB1      PRO  34  -5.469   3.730   6.860
  285   2HB   PRO  34           HB2      PRO  34  -4.144   2.675   7.233
  286   1HG   PRO  34           HG1      PRO  34  -3.961   5.633   7.869
  287   2HG   PRO  34           HG2      PRO  34  -3.893   4.237   9.030
  288   1HD   PRO  34           HD1      PRO  34  -1.556   5.290   7.688
  289   2HD   PRO  34           HD2      PRO  34  -1.792   3.573   8.296
  290    H    PHE  35           H        PHE  35  -3.601   4.056   3.078
  291    HA   PHE  35           HA       PHE  35  -4.214   6.978   3.111
  292   1HB   PHE  35           HB1      PHE  35  -3.189   7.401   1.162
  293   2HB   PHE  35           HB2      PHE  35  -2.162   6.092   1.819
  294    HD1  PHE  35           HD1      PHE  35  -3.042   3.562   0.974
  295    HD2  PHE  35           HD2      PHE  35  -3.916   7.296  -1.077
  296    HE1  PHE  35           HE1      PHE  35  -3.576   2.361  -0.982
  297    HE2  PHE  35           HE2      PHE  35  -4.469   6.003  -3.070
  298    HZ   PHE  35           HZ       PHE  35  -4.399   3.488  -3.017
  299    H    LEU  36           H        LEU  36  -5.818   7.368   0.886
  300    HA   LEU  36           HA       LEU  36  -8.028   5.427   1.104
  301   1HB   LEU  36           HB1      LEU  36  -8.209   8.501   0.741
  302   2HB   LEU  36           HB2      LEU  36  -9.539   7.332   0.455
  303    HG   LEU  36           HG       LEU  36  -9.150   6.510   2.808
  304   1HD1  LEU  36           HD11     LEU  36  -7.890   9.234   3.119
  305   2HD1  LEU  36           HD12     LEU  36  -8.587   8.224   4.476
  306   3HD1  LEU  36           HD13     LEU  36  -7.229   7.566   3.526
  307   1HD2  LEU  36           HD21     LEU  36 -11.247   7.661   2.082
  308   2HD2  LEU  36           HD22     LEU  36 -10.783   8.138   3.744
  309   3HD2  LEU  36           HD23     LEU  36 -10.469   9.266   2.378
  310    H    PHE  37           H        PHE  37  -8.860   4.830  -0.822
  311    HA   PHE  37           HA       PHE  37  -7.385   5.595  -3.342
  312   1HB   PHE  37           HB1      PHE  37  -7.081   3.259  -2.865
  313   2HB   PHE  37           HB2      PHE  37  -8.797   3.117  -2.279
  314    HD1  PHE  37           HD1      PHE  37  -6.767   3.461  -5.608
  315    HD2  PHE  37           HD2      PHE  37 -10.444   2.356  -3.592
  316    HE1  PHE  37           HE1      PHE  37  -7.487   2.216  -7.565
  317    HE2  PHE  37           HE2      PHE  37 -11.220   1.249  -5.643
  318    HZ   PHE  37           HZ       PHE  37  -9.686   1.054  -7.598
  319    H    SER  38           H        SER  38  -8.549   6.611  -5.159
  320    HA   SER  38           HA       SER  38 -11.318   7.322  -4.664
  321   1HB   SER  38           HB1      SER  38  -9.722   8.202  -7.129
  322   2HB   SER  38           HB2      SER  38 -11.171   8.938  -6.350
  323    HG   SER  38           HG       SER  38  -8.460   8.934  -5.627
  324    H    GLY  39           H        GLY  39  -9.943   4.606  -6.298
  325   1HA   GLY  39           HA1      GLY  39 -11.338   3.087  -7.433
  326   2HA   GLY  39           HA2      GLY  39 -12.339   4.313  -8.024
  327    H    CYS  40           H        CYS  40 -10.658   6.006  -9.364
  328    HA   CYS  40           HA       CYS  40  -9.237   4.416 -11.412
  329   1HB   CYS  40           HB1      CYS  40 -10.414   7.229 -11.938
  330   2HB   CYS  40           HB2      CYS  40 -10.022   5.931 -13.104
  331    H    GLY  41           H        GLY  41  -7.015   5.150 -11.721
  332   1HA   GLY  41           HA1      GLY  41  -5.419   7.043 -11.473
  333   2HA   GLY  41           HA2      GLY  41  -6.270   7.542  -9.994
  334    H    GLY  42           H        GLY  42  -6.417   4.362  -9.595
  335   1HA   GLY  42           HA1      GLY  42  -3.900   4.008  -8.166
  336   2HA   GLY  42           HA2      GLY  42  -5.324   2.930  -8.259
  337    H    ASN  43           H        ASN  43  -2.192   3.014  -9.077
  338    HA   ASN  43           HA       ASN  43  -2.331   1.809 -11.725
  339   1HB   ASN  43           HB1      ASN  43   0.169   2.033 -11.716
  340   2HB   ASN  43           HB2      ASN  43  -0.759   3.559 -11.487
  341   1HD2  ASN  43           HD21     ASN  43   1.828   3.932  -8.983
  342   2HD2  ASN  43           HD22     ASN  43   1.546   4.227 -10.675
  343    H    ALA  44           H        ALA  44  -0.254   0.638  -8.955
  344    HA   ALA  44           HA       ALA  44  -1.311  -2.096  -9.536
  345   1HB   ALA  44           HB1      ALA  44   0.752  -1.653 -10.943
  346   2HB   ALA  44           HB2      ALA  44   1.701  -1.392  -9.433
  347   3HB   ALA  44           HB3      ALA  44   0.972  -3.003  -9.793
  348    H    ASN  45           H        ASN  45   0.089  -0.037  -6.971
  349    HA   ASN  45           HA       ASN  45   0.377  -2.403  -5.203
  350   1HB   ASN  45           HB1      ASN  45   2.369  -0.952  -5.675
  351   2HB   ASN  45           HB2      ASN  45   1.497   0.449  -5.099
  352   1HD2  ASN  45           HD21     ASN  45   3.173  -0.021  -2.036
  353   2HD2  ASN  45           HD22     ASN  45   2.503   0.985  -3.283
  354    H    ARG  46           H        ARG  46  -2.318  -2.275  -4.532
  355    HA   ARG  46           HA       ARG  46  -2.037  -1.033  -1.983
  356   1HB   ARG  46           HB1      ARG  46  -3.808   0.388  -1.687
  357   2HB   ARG  46           HB2      ARG  46  -2.867   0.972  -3.082
  358   1HG   ARG  46           HG1      ARG  46  -5.577  -0.495  -3.240
  359   2HG   ARG  46           HG2      ARG  46  -5.361   1.274  -3.299
  360   1HD   ARG  46           HD1      ARG  46  -4.351  -0.785  -5.307
  361   2HD   ARG  46           HD2      ARG  46  -5.731   0.403  -5.546
  362    HE   ARG  46           HE       ARG  46  -3.319   1.873  -4.863
  363   1HH1  ARG  46           HH11     ARG  46  -4.203  -0.070  -7.603
  364   2HH1  ARG  46           HH12     ARG  46  -2.772   0.340  -8.442
  365   1HH2  ARG  46           HH21     ARG  46  -1.740   2.746  -6.123
  366   2HH2  ARG  46           HH22     ARG  46  -1.406   1.943  -7.627
  367    H    PHE  47           H        PHE  47  -3.351  -1.636  -0.314
  368    HA   PHE  47           HA       PHE  47  -4.164  -4.434  -0.622
  369   1HB   PHE  47           HB1      PHE  47  -3.167  -2.928   1.929
  370   2HB   PHE  47           HB2      PHE  47  -3.199  -4.699   1.636
  371    HD1  PHE  47           HD1      PHE  47  -1.915  -4.951  -1.155
  372    HD2  PHE  47           HD2      PHE  47  -0.918  -2.331   2.155
  373    HE1  PHE  47           HE1      PHE  47   0.333  -4.577  -2.079
  374    HE2  PHE  47           HE2      PHE  47   1.338  -2.178   1.281
  375    HZ   PHE  47           HZ       PHE  47   1.972  -3.193  -0.883
  376    H    GLN  48           H        GLN  48  -6.084  -5.260   0.135
  377    HA   GLN  48           HA       GLN  48  -8.194  -3.423   0.792
  378   1HB   GLN  48           HB1      GLN  48  -9.703  -5.030   0.098
  379   2HB   GLN  48           HB2      GLN  48  -8.277  -5.414  -0.891
  380   1HG   GLN  48           HG1      GLN  48  -9.465  -6.909   1.554
  381   2HG   GLN  48           HG2      GLN  48  -9.411  -7.465  -0.142
  382   1HE2  GLN  48           HE21     GLN  48  -5.928  -8.550   0.270
  383   2HE2  GLN  48           HE22     GLN  48  -7.021  -8.004  -0.981
  384    H    THR  49           H        THR  49  -6.156  -5.499   2.730
  385    HA   THR  49           HA       THR  49  -7.517  -4.560   5.127
  386    HB   THR  49           HB       THR  49  -7.246  -6.759   6.284
  387    HG1  THR  49           HG1      THR  49  -6.865  -7.834   3.662
  388   1HG2  THR  49           HG21     THR  49  -9.451  -6.107   5.283
  389   2HG2  THR  49           HG22     THR  49  -9.005  -6.913   3.750
  390   3HG2  THR  49           HG23     THR  49  -9.192  -7.896   5.252
  391    H    ILE  50           H        ILE  50  -5.912  -4.783   7.035
  392    HA   ILE  50           HA       ILE  50  -3.422  -3.732   6.356
  393    HB   ILE  50           HB       ILE  50  -4.817  -3.240   8.320
  394   1HG1  ILE  50           HG11     ILE  50  -1.925  -3.953   9.062
  395   2HG1  ILE  50           HG12     ILE  50  -2.436  -2.528   8.092
  396   1HG2  ILE  50           HG21     ILE  50  -5.356  -5.694   8.925
  397   2HG2  ILE  50           HG22     ILE  50  -3.685  -5.826   9.574
  398   3HG2  ILE  50           HG23     ILE  50  -4.838  -4.666  10.301
  399   1HD1  ILE  50           HD11     ILE  50  -3.917  -1.806  10.060
  400   2HD1  ILE  50           HD12     ILE  50  -3.173  -3.137  11.023
  401   3HD1  ILE  50           HD13     ILE  50  -2.146  -1.796  10.404
  402    H    GLY  51           H        GLY  51  -4.307  -7.069   6.650
  403   1HA   GLY  51           HA1      GLY  51  -1.648  -8.079   7.225
  404   2HA   GLY  51           HA2      GLY  51  -3.139  -8.983   6.889
  405    H    GLU  52           H        GLU  52  -3.275  -7.120   4.284
  406    HA   GLU  52           HA       GLU  52  -1.721  -8.887   2.569
  407   1HB   GLU  52           HB1      GLU  52  -4.072  -8.263   2.109
  408   2HB   GLU  52           HB2      GLU  52  -3.617  -6.565   2.014
  409   1HG   GLU  52           HG1      GLU  52  -3.883  -7.345  -0.276
  410   2HG   GLU  52           HG2      GLU  52  -2.110  -7.192  -0.069
  411    H    CYS  53           H        CYS  53  -1.159  -6.013   4.261
  412    HA   CYS  53           HA       CYS  53   0.682  -4.654   2.537
  413   1HB   CYS  53           HB1      CYS  53  -0.843  -3.650   4.468
  414   2HB   CYS  53           HB2      CYS  53   0.208  -4.479   5.593
  415    H    ARG  54           H        ARG  54   0.995  -6.614   5.340
  416    HA   ARG  54           HA       ARG  54   3.792  -7.065   5.674
  417   1HB   ARG  54           HB1      ARG  54   1.146  -8.261   6.583
  418   2HB   ARG  54           HB2      ARG  54   2.691  -8.941   7.167
  419   1HG   ARG  54           HG1      ARG  54   3.219  -7.101   8.479
  420   2HG   ARG  54           HG2      ARG  54   2.350  -5.940   7.441
  421   1HD   ARG  54           HD1      ARG  54   1.213  -6.362   9.652
  422   2HD   ARG  54           HD2      ARG  54   0.285  -6.612   8.089
  423    HE   ARG  54           HE       ARG  54   1.397  -9.185   8.760
  424   1HH1  ARG  54           HH11     ARG  54  -0.802  -7.166  10.605
  425   2HH1  ARG  54           HH12     ARG  54  -1.099  -8.490  11.700
  426   1HH2  ARG  54           HH21     ARG  54   0.981 -10.714   9.985
  427   2HH2  ARG  54           HH22     ARG  54  -0.100 -10.500  11.355
  428    H    LYS  55           H        LYS  55   1.151  -8.764   3.939
  429    HA   LYS  55           HA       LYS  55   2.528 -11.158   3.395
  430   1HB   LYS  55           HB1      LYS  55   0.021 -10.734   3.469
  431   2HB   LYS  55           HB2      LYS  55   0.092  -9.972   1.846
  432   1HG   LYS  55           HG1      LYS  55   0.972 -12.238   0.970
  433   2HG   LYS  55           HG2      LYS  55   0.750 -12.892   2.628
  434   1HD   LYS  55           HD1      LYS  55  -1.400 -11.871   0.677
  435   2HD   LYS  55           HD2      LYS  55  -1.137 -13.550   1.240
  436   1HE   LYS  55           HE1      LYS  55  -1.887 -12.909   3.551
  437   2HE   LYS  55           HE2      LYS  55  -2.140 -11.201   3.013
  438   1HZ   LYS  55           HZ1      LYS  55  -3.510 -13.591   1.911
  439   2HZ   LYS  55           HZ2      LYS  55  -4.161 -12.447   2.984
  440   3HZ   LYS  55           HZ3      LYS  55  -3.733 -11.984   1.407
  441    H    LYS  56           H        LYS  56   2.190  -8.102   1.482
  442    HA   LYS  56           HA       LYS  56   3.879  -9.159  -0.668
  443   1HB   LYS  56           HB1      LYS  56   1.860  -7.047  -0.459
  444   2HB   LYS  56           HB2      LYS  56   3.340  -6.395  -1.206
  445   1HG   LYS  56           HG1      LYS  56   3.385  -8.218  -2.835
  446   2HG   LYS  56           HG2      LYS  56   1.966  -8.975  -2.205
  447   1HD   LYS  56           HD1      LYS  56   2.052  -6.117  -3.593
  448   2HD   LYS  56           HD2      LYS  56   1.706  -7.685  -4.352
  449   1HE   LYS  56           HE1      LYS  56  -0.099  -6.786  -2.049
  450   2HE   LYS  56           HE2      LYS  56  -0.437  -6.535  -3.816
  451   1HZ   LYS  56           HZ1      LYS  56  -0.302  -8.918  -4.118
  452   2HZ   LYS  56           HZ2      LYS  56   0.028  -9.152  -2.469
  453   3HZ   LYS  56           HZ3      LYS  56  -1.471  -8.517  -2.952
  454    H    CYS  57           H        CYS  57   4.232  -7.047   2.242
  455    HA   CYS  57           HA       CYS  57   7.066  -6.555   1.408
  456   1HB   CYS  57           HB1      CYS  57   4.970  -4.723   2.544
  457   2HB   CYS  57           HB2      CYS  57   6.696  -4.285   2.723
  458    H    LEU  58           H        LEU  58   5.741  -8.381   4.168
  459    HA   LEU  58           HA       LEU  58   8.403  -7.685   5.279
  460   1HB   LEU  58           HB1      LEU  58   5.878  -7.348   6.850
  461   2HB   LEU  58           HB2      LEU  58   7.361  -7.903   7.704
  462    HG   LEU  58           HG       LEU  58   7.181  -5.382   6.115
  463   1HD1  LEU  58           HD11     LEU  58   5.917  -5.343   8.335
  464   2HD1  LEU  58           HD12     LEU  58   7.415  -5.901   9.164
  465   3HD1  LEU  58           HD13     LEU  58   7.376  -4.280   8.392
  466   1HD2  LEU  58           HD21     LEU  58   9.517  -6.653   7.636
  467   2HD2  LEU  58           HD22     LEU  58   9.485  -5.998   5.955
  468   3HD2  LEU  58           HD23     LEU  58   9.425  -4.875   7.348
  469    H    GLY  59           H        GLY  59   5.921 -10.184   4.956
  470   1HA   GLY  59           HA1      GLY  59   6.233 -12.434   5.104
  471   2HA   GLY  59           HA2      GLY  59   7.869 -12.211   5.817
  472    H    LYS  60           H        LYS  60   4.424 -11.309   6.681
  473    HA   LYS  60           HA       LYS  60   4.364 -12.747   9.084
  474   1HB   LYS  60           HB1      LYS  60   3.835 -10.445  10.322
  475   2HB   LYS  60           HB2      LYS  60   5.542 -10.989  10.236
  476   1HG   LYS  60           HG1      LYS  60   6.130  -9.461   8.526
  477   2HG   LYS  60           HG2      LYS  60   4.448  -9.070   8.104
  478   1HD   LYS  60           HD1      LYS  60   5.326  -7.226   9.188
  479   2HD   LYS  60           HD2      LYS  60   4.120  -7.957  10.293
  480   1HE   LYS  60           HE1      LYS  60   6.106  -7.102  11.531
  481   2HE   LYS  60           HE2      LYS  60   5.845  -8.888  11.714
  482   1HZ   LYS  60           HZ1      LYS  60   7.618  -9.224  10.097
  483   2HZ   LYS  60           HZ2      LYS  60   7.829  -7.548   9.924
  484   3HZ   LYS  60           HZ3      LYS  60   8.175  -8.297  11.408
   
  No H/Q in entry =         484
  Start of MODEL    6
    1    H    TRP   1           H        TRP   1  13.550 -12.490   3.540
    2    HA   TRP   1           HA       TRP   1  11.941 -12.370   1.343
    3   1HB   TRP   1           HB1      TRP   1   9.947 -11.981   2.494
    4   2HB   TRP   1           HB2      TRP   1  10.658 -11.074   3.834
    5    HD1  TRP   1           HD1      TRP   1   8.797 -10.319   0.554
    6    HE1  TRP   1           HE1      TRP   1   8.638  -7.904   0.272
    7    HE3  TRP   1           HE3      TRP   1  12.043  -8.936   4.303
    8    HZ2  TRP   1           HZ2      TRP   1   9.857  -5.542   1.386
    9    HZ3  TRP   1           HZ3      TRP   1  12.370  -6.526   4.707
   10    HH2  TRP   1           HH2      TRP   1  11.322  -4.838   3.207
   11    H    GLN   2           H        GLN   2  12.504 -10.478   0.084
   12    HA   GLN   2           HA       GLN   2  14.452  -8.611   1.131
   13   1HB   GLN   2           HB1      GLN   2  14.704 -10.305  -1.450
   14   2HB   GLN   2           HB2      GLN   2  15.599  -8.781  -1.153
   15   1HG   GLN   2           HG1      GLN   2  16.637  -9.811   0.933
   16   2HG   GLN   2           HG2      GLN   2  15.878 -11.385   0.510
   17   1HE2  GLN   2           HE21     GLN   2  18.055 -11.605  -2.487
   18   2HE2  GLN   2           HE22     GLN   2  16.355 -11.800  -2.127
   19    HA   PRO   3           HA       PRO   3  11.078  -6.533  -0.472
   20   1HB   PRO   3           HB1      PRO   3  11.863  -3.904  -0.921
   21   2HB   PRO   3           HB2      PRO   3  11.672  -4.719   0.634
   22   1HG   PRO   3           HG1      PRO   3  14.281  -4.441  -0.993
   23   2HG   PRO   3           HG2      PRO   3  14.068  -4.094   0.781
   24   1HD   PRO   3           HD1      PRO   3  15.094  -6.434  -0.211
   25   2HD   PRO   3           HD2      PRO   3  14.068  -6.394   1.308
   26    HA   PRO   4           HA       PRO   4  11.201  -6.711  -5.069
   27   1HB   PRO   4           HB1      PRO   4   8.689  -7.802  -5.390
   28   2HB   PRO   4           HB2      PRO   4   9.866  -8.648  -4.359
   29   1HG   PRO   4           HG1      PRO   4   7.861  -6.631  -3.337
   30   2HG   PRO   4           HG2      PRO   4   8.078  -8.406  -2.818
   31   1HD   PRO   4           HD1      PRO   4   9.122  -6.225  -1.548
   32   2HD   PRO   4           HD2      PRO   4   9.948  -7.857  -1.668
   33    H    TRP   5           H        TRP   5   7.885  -6.049  -5.418
   34    HA   TRP   5           HA       TRP   5   8.319  -3.339  -6.363
   35   1HB   TRP   5           HB1      TRP   5   6.029  -3.373  -7.394
   36   2HB   TRP   5           HB2      TRP   5   7.258  -4.453  -8.024
   37    HD1  TRP   5           HD1      TRP   5   6.860  -6.934  -8.125
   38    HE1  TRP   5           HE1      TRP   5   4.625  -8.361  -7.815
   39    HE3  TRP   5           HE3      TRP   5   3.505  -3.912  -5.735
   40    HZ2  TRP   5           HZ2      TRP   5   1.878  -7.819  -8.059
   41    HZ3  TRP   5           HZ3      TRP   5   1.189  -4.028  -6.215
   42    HH2  TRP   5           HH2      TRP   5   0.318  -6.016  -7.352
   43    H    TYR   6           H        TYR   6   5.617  -4.739  -4.495
   44    HA   TYR   6           HA       TYR   6   4.091  -2.757  -3.805
   45   1HB   TYR   6           HB1      TYR   6   4.647  -4.668  -1.462
   46   2HB   TYR   6           HB2      TYR   6   3.117  -4.281  -2.350
   47    HD1  TYR   6           HD1      TYR   6   2.577  -5.600  -4.421
   48    HD2  TYR   6           HD2      TYR   6   6.060  -6.290  -2.051
   49    HE1  TYR   6           HE1      TYR   6   2.815  -7.811  -5.470
   50    HE2  TYR   6           HE2      TYR   6   6.170  -8.716  -3.119
   51    HH   TYR   6           HH       TYR   6   3.898  -9.995  -5.022
   52    H    CYS   7           H        CYS   7   6.953  -3.323  -1.838
   53    HA   CYS   7           HA       CYS   7   6.434  -1.515   0.092
   54   1HB   CYS   7           HB1      CYS   7   9.313  -2.284  -0.634
   55   2HB   CYS   7           HB2      CYS   7   8.597  -2.101   0.979
   56    H    LYS   8           H        LYS   8   8.151  -1.265  -2.954
   57    HA   LYS   8           HA       LYS   8   9.024   1.503  -2.705
   58   1HB   LYS   8           HB1      LYS   8   9.511  -0.555  -5.031
   59   2HB   LYS   8           HB2      LYS   8  10.292   0.989  -4.767
   60   1HG   LYS   8           HG1      LYS   8  11.259   0.060  -2.563
   61   2HG   LYS   8           HG2      LYS   8  10.398  -1.468  -2.920
   62   1HD   LYS   8           HD1      LYS   8  12.720  -1.782  -3.543
   63   2HD   LYS   8           HD2      LYS   8  11.827  -1.658  -5.092
   64   1HE   LYS   8           HE1      LYS   8  12.725   0.658  -5.425
   65   2HE   LYS   8           HE2      LYS   8  13.404   0.653  -3.748
   66   1HZ   LYS   8           HZ1      LYS   8  14.810  -1.178  -4.387
   67   2HZ   LYS   8           HZ2      LYS   8  14.163  -1.182  -5.957
   68   3HZ   LYS   8           HZ3      LYS   8  15.040   0.164  -5.403
   69    H    GLU   9           H        GLU   9   6.177  -0.139  -3.790
   70    HA   GLU   9           HA       GLU   9   5.826   1.140  -6.293
   71   1HB   GLU   9           HB1      GLU   9   5.103  -1.159  -5.570
   72   2HB   GLU   9           HB2      GLU   9   3.665  -0.374  -4.920
   73   1HG   GLU   9           HG1      GLU   9   3.011  -0.856  -7.111
   74   2HG   GLU   9           HG2      GLU   9   3.611   0.781  -7.440
   75    HA   PRO  10           HA       PRO  10   4.434   4.845  -4.277
   76   1HB   PRO  10           HB1      PRO  10   3.438   5.705  -7.043
   77   2HB   PRO  10           HB2      PRO  10   4.535   6.604  -5.926
   78   1HG   PRO  10           HG1      PRO  10   5.571   5.347  -8.009
   79   2HG   PRO  10           HG2      PRO  10   6.349   5.016  -6.400
   80   1HD   PRO  10           HD1      PRO  10   4.138   3.351  -7.749
   81   2HD   PRO  10           HD2      PRO  10   5.760   2.752  -7.271
   82    H    VAL  11           H        VAL  11   2.579   5.932  -3.206
   83    HA   VAL  11           HA       VAL  11   0.020   4.659  -3.463
   84    HB   VAL  11           HB       VAL  11   0.835   5.134  -1.320
   85   1HG1  VAL  11           HG11     VAL  11   1.114   8.110  -2.150
   86   2HG1  VAL  11           HG12     VAL  11   1.196   7.483  -0.472
   87   3HG1  VAL  11           HG13     VAL  11   2.434   6.981  -1.653
   88   1HG2  VAL  11           HG21     VAL  11  -1.645   5.422  -1.860
   89   2HG2  VAL  11           HG22     VAL  11  -1.065   6.245  -0.365
   90   3HG2  VAL  11           HG23     VAL  11  -1.397   7.211  -1.844
   91    H    ARG  12           H        ARG  12  -1.826   5.409  -4.528
   92    HA   ARG  12           HA       ARG  12  -1.643   8.031  -5.927
   93   1HB   ARG  12           HB1      ARG  12  -2.325   5.418  -7.211
   94   2HB   ARG  12           HB2      ARG  12  -2.452   7.018  -8.004
   95   1HG   ARG  12           HG1      ARG  12   0.116   7.220  -7.144
   96   2HG   ARG  12           HG2      ARG  12  -0.107   5.452  -7.172
   97   1HD   ARG  12           HD1      ARG  12  -0.917   5.897  -9.662
   98   2HD   ARG  12           HD2      ARG  12  -0.446   7.624  -9.367
   99    HE   ARG  12           HE       ARG  12   1.481   5.681 -10.373
  100   1HH1  ARG  12           HH11     ARG  12   1.441   8.274  -8.011
  101   2HH1  ARG  12           HH12     ARG  12   3.101   8.668  -8.380
  102   1HH2  ARG  12           HH21     ARG  12   3.550   6.003 -10.507
  103   2HH2  ARG  12           HH22     ARG  12   4.218   7.439  -9.830
  104    H    ILE  13           H        ILE  13  -3.974   8.944  -6.218
  105    HA   ILE  13           HA       ILE  13  -6.043   7.289  -4.963
  106    HB   ILE  13           HB       ILE  13  -5.175   8.764  -3.339
  107   1HG1  ILE  13           HG11     ILE  13  -8.083   9.058  -4.191
  108   2HG1  ILE  13           HG12     ILE  13  -7.287   7.637  -3.426
  109   1HG2  ILE  13           HG21     ILE  13  -4.770  10.865  -4.615
  110   2HG2  ILE  13           HG22     ILE  13  -6.602  11.043  -4.742
  111   3HG2  ILE  13           HG23     ILE  13  -5.780  11.012  -3.149
  112   1HD1  ILE  13           HD11     ILE  13  -6.974   8.873  -1.317
  113   2HD1  ILE  13           HD12     ILE  13  -7.712  10.370  -2.023
  114   3HD1  ILE  13           HD13     ILE  13  -8.743   8.910  -1.759
  115    H    GLY  14           H        GLY  14  -5.723  10.186  -7.158
  116   1HA   GLY  14           HA1      GLY  14  -6.650   9.302  -9.346
  117   2HA   GLY  14           HA2      GLY  14  -8.199   9.227  -8.412
  118    H    SER  15           H        SER  15  -8.922  10.711 -10.208
  119    HA   SER  15           HA       SER  15  -8.752  13.449  -9.287
  120   1HB   SER  15           HB1      SER  15  -7.869  12.717 -12.148
  121   2HB   SER  15           HB2      SER  15  -8.280  14.387 -11.589
  122    HG   SER  15           HG       SER  15  -6.516  12.982  -9.956
  123    H    CYS  16           H        CYS  16 -10.559  11.874  -8.678
  124    HA   CYS  16           HA       CYS  16 -13.007  12.518 -10.038
  125   1HB   CYS  16           HB1      CYS  16 -11.847   9.781  -9.355
  126   2HB   CYS  16           HB2      CYS  16 -13.544   9.846  -9.305
  127    H    LYS  17           H        LYS  17 -14.615  11.324  -8.126
  128    HA   LYS  17           HA       LYS  17 -13.663  12.266  -5.479
  129   1HB   LYS  17           HB1      LYS  17 -16.408  12.904  -6.750
  130   2HB   LYS  17           HB2      LYS  17 -15.927  13.295  -5.057
  131   1HG   LYS  17           HG1      LYS  17 -14.681  14.530  -7.550
  132   2HG   LYS  17           HG2      LYS  17 -15.924  15.222  -6.449
  133   1HD   LYS  17           HD1      LYS  17 -14.225  14.766  -4.512
  134   2HD   LYS  17           HD2      LYS  17 -12.984  14.609  -5.806
  135   1HE   LYS  17           HE1      LYS  17 -13.591  16.977  -6.557
  136   2HE   LYS  17           HE2      LYS  17 -14.805  17.026  -5.204
  137   1HZ   LYS  17           HZ1      LYS  17 -13.004  16.660  -3.657
  138   2HZ   LYS  17           HZ2      LYS  17 -11.871  16.594  -4.920
  139   3HZ   LYS  17           HZ3      LYS  17 -12.708  18.038  -4.603
  140    H    LYS  18           H        LYS  18 -13.320   9.888  -4.992
  141    HA   LYS  18           HA       LYS  18 -15.690   8.736  -3.850
  142   1HB   LYS  18           HB1      LYS  18 -15.620   7.831  -6.223
  143   2HB   LYS  18           HB2      LYS  18 -13.934   7.318  -5.992
  144   1HG   LYS  18           HG1      LYS  18 -15.299   5.388  -5.830
  145   2HG   LYS  18           HG2      LYS  18 -14.795   5.744  -4.152
  146   1HD   LYS  18           HD1      LYS  18 -17.269   7.200  -4.581
  147   2HD   LYS  18           HD2      LYS  18 -17.497   5.650  -5.444
  148   1HE   LYS  18           HE1      LYS  18 -18.408   5.532  -3.132
  149   2HE   LYS  18           HE2      LYS  18 -16.999   4.407  -3.273
  150   1HZ   LYS  18           HZ1      LYS  18 -15.619   6.124  -2.294
  151   2HZ   LYS  18           HZ2      LYS  18 -16.955   7.162  -2.154
  152   3HZ   LYS  18           HZ3      LYS  18 -16.916   5.709  -1.278
  153    H    GLN  19           H        GLN  19 -14.858   7.169  -2.020
  154    HA   GLN  19           HA       GLN  19 -11.977   6.961  -1.915
  155   1HB   GLN  19           HB1      GLN  19 -12.642   7.771   0.807
  156   2HB   GLN  19           HB2      GLN  19 -11.471   8.349  -0.462
  157   1HG   GLN  19           HG1      GLN  19 -13.179  10.010  -1.309
  158   2HG   GLN  19           HG2      GLN  19 -14.246   9.510   0.044
  159   1HE2  GLN  19           HE21     GLN  19 -11.216  12.096   0.728
  160   2HE2  GLN  19           HE22     GLN  19 -11.560  11.471  -0.880
  161    H    PHE  20           H        PHE  20 -11.914   4.888  -2.093
  162    HA   PHE  20           HA       PHE  20 -13.474   3.069  -0.368
  163   1HB   PHE  20           HB1      PHE  20 -11.451   2.659  -2.697
  164   2HB   PHE  20           HB2      PHE  20 -12.212   1.284  -1.827
  165    HD1  PHE  20           HD1      PHE  20 -14.927   1.559  -1.579
  166    HD2  PHE  20           HD2      PHE  20 -12.513   3.196  -4.788
  167    HE1  PHE  20           HE1      PHE  20 -16.847   1.485  -3.092
  168    HE2  PHE  20           HE2      PHE  20 -14.446   3.050  -6.289
  169    HZ   PHE  20           HZ       PHE  20 -16.621   2.197  -5.458
  170    H    SER  21           H        SER  21 -12.373   1.655   1.150
  171    HA   SER  21           HA       SER  21 -10.134   2.832   2.484
  172   1HB   SER  21           HB1      SER  21 -12.175   1.632   3.595
  173   2HB   SER  21           HB2      SER  21 -11.368   0.084   3.190
  174    HG   SER  21           HG       SER  21 -10.444   2.219   4.857
  175    H    SER  22           H        SER  22  -7.986   2.666   2.018
  176    HA   SER  22           HA       SER  22  -6.946   0.043   1.094
  177   1HB   SER  22           HB1      SER  22  -5.359   1.260  -0.416
  178   2HB   SER  22           HB2      SER  22  -7.023   1.710  -0.791
  179    HG   SER  22           HG       SER  22  -5.555   3.270   1.033
  180    H    PHE  23           H        PHE  23  -4.793  -0.273   1.307
  181    HA   PHE  23           HA       PHE  23  -3.276   1.303   3.341
  182   1HB   PHE  23           HB1      PHE  23  -3.543  -1.757   3.390
  183   2HB   PHE  23           HB2      PHE  23  -2.406  -0.898   4.475
  184    HD1  PHE  23           HD1      PHE  23  -5.939  -1.703   3.733
  185    HD2  PHE  23           HD2      PHE  23  -3.335   0.583   6.275
  186    HE1  PHE  23           HE1      PHE  23  -7.846  -1.190   5.204
  187    HE2  PHE  23           HE2      PHE  23  -5.242   1.000   7.828
  188    HZ   PHE  23           HZ       PHE  23  -7.510   0.168   7.261
  189    H    TYR  24           H        TYR  24  -1.061   1.281   3.065
  190    HA   TYR  24           HA       TYR  24   0.095  -0.250   0.846
  191   1HB   TYR  24           HB1      TYR  24   0.917   1.374  -0.510
  192   2HB   TYR  24           HB2      TYR  24  -0.626   2.093  -0.060
  193    HD1  TYR  24           HD1      TYR  24  -0.642   4.264   1.445
  194    HD2  TYR  24           HD2      TYR  24   2.995   2.301   0.115
  195    HE1  TYR  24           HE1      TYR  24   0.636   6.239   2.015
  196    HE2  TYR  24           HE2      TYR  24   4.281   4.328   0.749
  197    HH   TYR  24           HH       TYR  24   2.738   7.282   1.984
  198    H    PHE  25           H        PHE  25   2.521  -0.506   1.038
  199    HA   PHE  25           HA       PHE  25   3.340  -0.292   3.864
  200   1HB   PHE  25           HB1      PHE  25   3.376  -2.531   2.552
  201   2HB   PHE  25           HB2      PHE  25   4.806  -1.910   1.715
  202    HD1  PHE  25           HD1      PHE  25   6.878  -1.175   3.067
  203    HD2  PHE  25           HD2      PHE  25   3.647  -3.592   4.690
  204    HE1  PHE  25           HE1      PHE  25   8.291  -2.031   4.922
  205    HE2  PHE  25           HE2      PHE  25   4.938  -4.175   6.590
  206    HZ   PHE  25           HZ       PHE  25   7.361  -3.383   6.714
  207    H    LYS  26           H        LYS  26   5.021   1.031   4.532
  208    HA   LYS  26           HA       LYS  26   6.056   2.883   2.507
  209   1HB   LYS  26           HB1      LYS  26   5.270   3.223   5.233
  210   2HB   LYS  26           HB2      LYS  26   6.972   3.729   5.071
  211   1HG   LYS  26           HG1      LYS  26   4.528   4.739   3.695
  212   2HG   LYS  26           HG2      LYS  26   5.792   5.372   4.901
  213   1HD   LYS  26           HD1      LYS  26   6.510   5.126   1.965
  214   2HD   LYS  26           HD2      LYS  26   5.761   6.543   2.698
  215   1HE   LYS  26           HE1      LYS  26   8.376   5.386   3.804
  216   2HE   LYS  26           HE2      LYS  26   8.250   6.699   2.564
  217   1HZ   LYS  26           HZ1      LYS  26   6.972   8.000   4.109
  218   2HZ   LYS  26           HZ2      LYS  26   7.069   6.781   5.288
  219   3HZ   LYS  26           HZ3      LYS  26   8.478   7.577   4.770
  220    H    TRP  27           H        TRP  27   7.694   1.810   1.560
  221    HA   TRP  27           HA       TRP  27   9.796   0.290   2.247
  222   1HB   TRP  27           HB1      TRP  27   9.646   0.850   0.077
  223   2HB   TRP  27           HB2      TRP  27   9.090   2.507   0.377
  224    HD1  TRP  27           HD1      TRP  27  11.078   4.301  -0.393
  225    HE1  TRP  27           HE1      TRP  27  13.485   3.917  -1.285
  226    HE3  TRP  27           HE3      TRP  27  11.397  -0.591   0.581
  227    HZ2  TRP  27           HZ2      TRP  27  15.375   1.738  -1.373
  228    HZ3  TRP  27           HZ3      TRP  27  13.439  -1.844   0.124
  229    HH2  TRP  27           HH2      TRP  27  15.456  -0.711  -0.885
  230    H    THR  28           H        THR  28   9.872   3.870   2.851
  231    HA   THR  28           HA       THR  28  12.435   3.554   4.189
  232    HB   THR  28           HB       THR  28  12.329   6.110   4.542
  233    HG1  THR  28           HG1      THR  28  11.192   7.035   2.775
  234   1HG2  THR  28           HG21     THR  28  12.590   4.780   1.773
  235   2HG2  THR  28           HG22     THR  28  13.250   6.390   2.234
  236   3HG2  THR  28           HG23     THR  28  13.880   4.909   3.021
  237    H    ALA  29           H        ALA  29   8.971   3.723   5.291
  238    HA   ALA  29           HA       ALA  29   9.894   4.321   7.996
  239   1HB   ALA  29           HB1      ALA  29   7.632   5.019   7.136
  240   2HB   ALA  29           HB2      ALA  29   7.127   3.289   7.128
  241   3HB   ALA  29           HB3      ALA  29   7.587   4.096   8.669
  242    H    LYS  30           H        LYS  30   9.056   1.366   6.161
  243    HA   LYS  30           HA       LYS  30   9.479  -0.761   6.473
  244   1HB   LYS  30           HB1      LYS  30  11.581  -0.097   7.786
  245   2HB   LYS  30           HB2      LYS  30  10.660  -0.576   9.229
  246   1HG   LYS  30           HG1      LYS  30  11.960  -2.444   8.521
  247   2HG   LYS  30           HG2      LYS  30  10.289  -2.889   8.089
  248   1HD   LYS  30           HD1      LYS  30  11.779  -3.628   6.337
  249   2HD   LYS  30           HD2      LYS  30  10.800  -2.283   5.671
  250   1HE   LYS  30           HE1      LYS  30  13.140  -2.148   4.887
  251   2HE   LYS  30           HE2      LYS  30  12.788  -0.735   5.949
  252   1HZ   LYS  30           HZ1      LYS  30  14.191  -3.240   6.744
  253   2HZ   LYS  30           HZ2      LYS  30  14.907  -1.732   6.432
  254   3HZ   LYS  30           HZ3      LYS  30  13.864  -1.920   7.760
  255    H    LYS  31           H        LYS  31   7.096   0.754   7.283
  256    HA   LYS  31           HA       LYS  31   5.569  -1.305   8.654
  257   1HB   LYS  31           HB1      LYS  31   5.858   1.663   9.472
  258   2HB   LYS  31           HB2      LYS  31   4.441   0.715  10.019
  259   1HG   LYS  31           HG1      LYS  31   5.852  -0.880  11.209
  260   2HG   LYS  31           HG2      LYS  31   7.334   0.023  10.763
  261   1HD   LYS  31           HD1      LYS  31   4.970   1.236  12.324
  262   2HD   LYS  31           HD2      LYS  31   6.443   0.521  13.062
  263   1HE   LYS  31           HE1      LYS  31   7.891   2.232  11.959
  264   2HE   LYS  31           HE2      LYS  31   6.436   2.994  11.200
  265   1HZ   LYS  31           HZ1      LYS  31   6.917   2.678  14.113
  266   2HZ   LYS  31           HZ2      LYS  31   7.076   4.103  13.204
  267   3HZ   LYS  31           HZ3      LYS  31   5.550   3.383  13.394
  268    H    CYS  32           H        CYS  32   3.181  -0.687   8.500
  269    HA   CYS  32           HA       CYS  32   2.519  -0.029   5.741
  270   1HB   CYS  32           HB1      CYS  32   0.984  -1.234   8.158
  271   2HB   CYS  32           HB2      CYS  32   0.189  -0.939   6.562
  272    H    LEU  33           H        LEU  33   1.048   1.625   5.120
  273    HA   LEU  33           HA       LEU  33   0.119   3.508   7.209
  274   1HB   LEU  33           HB1      LEU  33   0.912   4.268   4.337
  275   2HB   LEU  33           HB2      LEU  33   0.323   5.369   5.618
  276    HG   LEU  33           HG       LEU  33   3.054   3.975   5.472
  277   1HD1  LEU  33           HD11     LEU  33   2.702   6.037   4.136
  278   2HD1  LEU  33           HD12     LEU  33   2.196   6.944   5.620
  279   3HD1  LEU  33           HD13     LEU  33   3.867   6.258   5.493
  280   1HD2  LEU  33           HD21     LEU  33   1.858   5.731   7.748
  281   2HD2  LEU  33           HD22     LEU  33   2.302   4.000   7.935
  282   3HD2  LEU  33           HD23     LEU  33   3.573   5.220   7.622
  283    HA   PRO  34           HA       PRO  34  -3.862   2.924   4.819
  284   1HB   PRO  34           HB1      PRO  34  -5.503   4.477   6.411
  285   2HB   PRO  34           HB2      PRO  34  -4.686   3.049   7.129
  286   1HG   PRO  34           HG1      PRO  34  -3.800   5.970   7.357
  287   2HG   PRO  34           HG2      PRO  34  -3.985   4.747   8.676
  288   1HD   PRO  34           HD1      PRO  34  -1.562   5.344   7.230
  289   2HD   PRO  34           HD2      PRO  34  -1.888   3.801   8.162
  290    H    PHE  35           H        PHE  35  -4.829   3.813   3.259
  291    HA   PHE  35           HA       PHE  35  -4.864   6.735   2.980
  292   1HB   PHE  35           HB1      PHE  35  -3.814   7.083   0.878
  293   2HB   PHE  35           HB2      PHE  35  -2.721   6.047   1.799
  294    HD1  PHE  35           HD1      PHE  35  -2.700   3.530   1.266
  295    HD2  PHE  35           HD2      PHE  35  -4.629   6.404  -1.402
  296    HE1  PHE  35           HE1      PHE  35  -2.594   1.946  -0.599
  297    HE2  PHE  35           HE2      PHE  35  -4.689   4.702  -3.076
  298    HZ   PHE  35           HZ       PHE  35  -3.618   2.519  -2.788
  299    H    LEU  36           H        LEU  36  -6.161   6.637   0.297
  300    HA   LEU  36           HA       LEU  36  -8.370   4.790   0.672
  301   1HB   LEU  36           HB1      LEU  36  -8.578   7.887   0.376
  302   2HB   LEU  36           HB2      LEU  36  -9.977   6.767   0.149
  303    HG   LEU  36           HG       LEU  36  -8.464   7.027   2.793
  304   1HD1  LEU  36           HD11     LEU  36  -9.374   9.246   2.208
  305   2HD1  LEU  36           HD12     LEU  36 -11.005   8.529   1.964
  306   3HD1  LEU  36           HD13     LEU  36 -10.250   8.479   3.582
  307   1HD2  LEU  36           HD21     LEU  36 -11.198   5.825   2.010
  308   2HD2  LEU  36           HD22     LEU  36  -9.722   4.938   2.555
  309   3HD2  LEU  36           HD23     LEU  36 -10.595   6.025   3.695
  310    H    PHE  37           H        PHE  37  -9.350   4.440  -1.382
  311    HA   PHE  37           HA       PHE  37  -7.799   5.414  -3.780
  312   1HB   PHE  37           HB1      PHE  37  -7.267   3.131  -3.310
  313   2HB   PHE  37           HB2      PHE  37  -9.030   2.757  -2.998
  314    HD1  PHE  37           HD1      PHE  37  -7.809   4.502  -6.257
  315    HD2  PHE  37           HD2      PHE  37  -9.046   0.836  -4.275
  316    HE1  PHE  37           HE1      PHE  37  -8.433   3.534  -8.374
  317    HE2  PHE  37           HE2      PHE  37  -9.453  -0.183  -6.472
  318    HZ   PHE  37           HZ       PHE  37  -9.178   1.180  -8.540
  319    H    SER  38           H        SER  38  -8.854   6.694  -5.368
  320    HA   SER  38           HA       SER  38 -11.759   7.036  -5.114
  321   1HB   SER  38           HB1      SER  38  -9.751   8.755  -6.723
  322   2HB   SER  38           HB2      SER  38 -11.493   9.101  -6.504
  323    HG   SER  38           HG       SER  38 -11.052   9.088  -4.201
  324    H    GLY  39           H        GLY  39 -10.330   4.740  -6.704
  325   1HA   GLY  39           HA1      GLY  39 -11.070   3.456  -8.417
  326   2HA   GLY  39           HA2      GLY  39 -12.260   4.645  -8.814
  327    H    CYS  40           H        CYS  40 -11.108   6.821  -9.640
  328    HA   CYS  40           HA       CYS  40  -9.982   6.195 -12.212
  329   1HB   CYS  40           HB1      CYS  40 -10.342   8.975 -10.959
  330   2HB   CYS  40           HB2      CYS  40 -10.238   8.588 -12.702
  331    H    GLY  41           H        GLY  41  -8.030   5.566 -10.002
  332   1HA   GLY  41           HA1      GLY  41  -5.764   6.368 -11.339
  333   2HA   GLY  41           HA2      GLY  41  -5.997   7.576 -10.029
  334    H    GLY  42           H        GLY  42  -6.426   3.962 -10.100
  335   1HA   GLY  42           HA1      GLY  42  -4.383   3.846  -7.949
  336   2HA   GLY  42           HA2      GLY  42  -5.655   2.623  -8.322
  337    H    ASN  43           H        ASN  43  -2.385   3.009  -8.470
  338    HA   ASN  43           HA       ASN  43  -1.863   2.214 -11.167
  339   1HB   ASN  43           HB1      ASN  43   0.512   2.326 -10.395
  340   2HB   ASN  43           HB2      ASN  43  -0.473   3.751 -10.002
  341   1HD2  ASN  43           HD21     ASN  43   1.257   3.463  -6.971
  342   2HD2  ASN  43           HD22     ASN  43   1.448   4.063  -8.593
  343    H    ALA  44           H        ALA  44  -1.341   0.530  -8.102
  344    HA   ALA  44           HA       ALA  44  -2.194  -2.044  -8.899
  345   1HB   ALA  44           HB1      ALA  44  -0.135  -2.038 -10.378
  346   2HB   ALA  44           HB2      ALA  44   0.893  -1.690  -8.949
  347   3HB   ALA  44           HB3      ALA  44   0.015  -3.265  -9.101
  348    H    ASN  45           H        ASN  45  -0.543   0.111  -6.575
  349    HA   ASN  45           HA       ASN  45  -0.236  -2.007  -4.594
  350   1HB   ASN  45           HB1      ASN  45   1.466  -0.229  -5.289
  351   2HB   ASN  45           HB2      ASN  45   0.538   0.986  -4.374
  352   1HD2  ASN  45           HD21     ASN  45   3.101  -0.136  -2.102
  353   2HD2  ASN  45           HD22     ASN  45   2.575   1.134  -3.099
  354    H    ARG  46           H        ARG  46  -2.521  -2.422  -3.880
  355    HA   ARG  46           HA       ARG  46  -3.032  -0.873  -1.615
  356   1HB   ARG  46           HB1      ARG  46  -5.464  -0.618  -1.704
  357   2HB   ARG  46           HB2      ARG  46  -4.549   0.550  -2.687
  358   1HG   ARG  46           HG1      ARG  46  -5.999  -1.960  -3.816
  359   2HG   ARG  46           HG2      ARG  46  -6.798  -0.368  -3.577
  360   1HD   ARG  46           HD1      ARG  46  -4.390  -0.935  -5.346
  361   2HD   ARG  46           HD2      ARG  46  -6.084  -0.663  -5.958
  362    HE   ARG  46           HE       ARG  46  -5.781   1.584  -4.466
  363   1HH1  ARG  46           HH11     ARG  46  -3.326   0.386  -6.778
  364   2HH1  ARG  46           HH12     ARG  46  -2.411   1.836  -6.546
  365   1HH2  ARG  46           HH21     ARG  46  -4.773   3.597  -4.874
  366   2HH2  ARG  46           HH22     ARG  46  -3.410   3.615  -5.894
  367    H    PHE  47           H        PHE  47  -3.474  -1.951  -0.023
  368    HA   PHE  47           HA       PHE  47  -4.212  -4.812  -0.264
  369   1HB   PHE  47           HB1      PHE  47  -3.196  -3.132   2.083
  370   2HB   PHE  47           HB2      PHE  47  -3.253  -4.847   2.169
  371    HD1  PHE  47           HD1      PHE  47  -2.053  -5.762  -0.460
  372    HD2  PHE  47           HD2      PHE  47  -0.955  -2.297   1.876
  373    HE1  PHE  47           HE1      PHE  47   0.125  -5.599  -1.604
  374    HE2  PHE  47           HE2      PHE  47   1.228  -2.276   0.802
  375    HZ   PHE  47           HZ       PHE  47   1.760  -3.874  -0.946
  376    H    GLN  48           H        GLN  48  -6.026  -5.633   1.034
  377    HA   GLN  48           HA       GLN  48  -8.204  -3.776   1.177
  378   1HB   GLN  48           HB1      GLN  48  -9.636  -5.595   1.286
  379   2HB   GLN  48           HB2      GLN  48  -8.331  -6.107   0.191
  380   1HG   GLN  48           HG1      GLN  48  -8.831  -7.046   3.115
  381   2HG   GLN  48           HG2      GLN  48  -9.164  -7.949   1.609
  382   1HE2  GLN  48           HE21     GLN  48  -5.955  -9.457   1.907
  383   2HE2  GLN  48           HE22     GLN  48  -7.673  -9.713   1.700
  384    H    THR  49           H        THR  49  -6.193  -5.507   3.528
  385    HA   THR  49           HA       THR  49  -7.273  -3.772   5.683
  386    HB   THR  49           HB       THR  49  -7.029  -5.543   7.391
  387    HG1  THR  49           HG1      THR  49  -6.704  -7.302   5.180
  388   1HG2  THR  49           HG21     THR  49  -9.236  -5.104   6.319
  389   2HG2  THR  49           HG22     THR  49  -8.933  -6.410   5.128
  390   3HG2  THR  49           HG23     THR  49  -9.045  -6.808   6.875
  391    H    ILE  50           H        ILE  50  -5.662  -3.550   7.502
  392    HA   ILE  50           HA       ILE  50  -3.034  -3.061   6.550
  393    HB   ILE  50           HB       ILE  50  -4.337  -1.680   8.087
  394   1HG1  ILE  50           HG11     ILE  50  -1.675  -2.472   9.356
  395   2HG1  ILE  50           HG12     ILE  50  -1.819  -1.568   7.803
  396   1HG2  ILE  50           HG21     ILE  50  -5.345  -3.545   9.501
  397   2HG2  ILE  50           HG22     ILE  50  -3.736  -3.762  10.279
  398   3HG2  ILE  50           HG23     ILE  50  -4.618  -2.211  10.446
  399   1HD1  ILE  50           HD11     ILE  50  -2.987  -0.603  10.494
  400   2HD1  ILE  50           HD12     ILE  50  -1.471  -0.010   9.737
  401   3HD1  ILE  50           HD13     ILE  50  -3.047   0.279   8.919
  402    H    GLY  51           H        GLY  51  -4.420  -5.997   7.633
  403   1HA   GLY  51           HA1      GLY  51  -1.929  -7.075   8.713
  404   2HA   GLY  51           HA2      GLY  51  -3.511  -7.858   8.596
  405    H    GLU  52           H        GLU  52  -3.354  -6.740   5.603
  406    HA   GLU  52           HA       GLU  52  -2.099  -9.093   4.386
  407   1HB   GLU  52           HB1      GLU  52  -4.217  -8.356   3.478
  408   2HB   GLU  52           HB2      GLU  52  -3.687  -6.668   3.419
  409   1HG   GLU  52           HG1      GLU  52  -3.775  -7.353   1.182
  410   2HG   GLU  52           HG2      GLU  52  -2.031  -7.268   1.476
  411    H    CYS  53           H        CYS  53  -1.679  -5.580   4.594
  412    HA   CYS  53           HA       CYS  53   0.107  -4.987   2.689
  413   1HB   CYS  53           HB1      CYS  53  -0.988  -3.255   3.761
  414   2HB   CYS  53           HB2      CYS  53  -0.635  -3.711   5.391
  415    H    ARG  54           H        ARG  54   1.085  -6.094   5.804
  416    HA   ARG  54           HA       ARG  54   3.919  -6.215   5.554
  417   1HB   ARG  54           HB1      ARG  54   3.803  -7.142   7.695
  418   2HB   ARG  54           HB2      ARG  54   2.570  -5.873   7.534
  419   1HG   ARG  54           HG1      ARG  54   0.955  -7.901   6.829
  420   2HG   ARG  54           HG2      ARG  54   2.171  -8.903   7.637
  421   1HD   ARG  54           HD1      ARG  54   1.950  -7.557   9.726
  422   2HD   ARG  54           HD2      ARG  54   0.701  -6.506   8.916
  423    HE   ARG  54           HE       ARG  54  -0.585  -8.885   8.543
  424   1HH1  ARG  54           HH11     ARG  54   1.409  -8.338  11.399
  425   2HH1  ARG  54           HH12     ARG  54   0.353  -9.326  12.370
  426   1HH2  ARG  54           HH21     ARG  54  -1.496 -10.288   9.571
  427   2HH2  ARG  54           HH22     ARG  54  -1.161 -10.638  11.218
  428    H    LYS  55           H        LYS  55   1.488  -8.607   4.325
  429    HA   LYS  55           HA       LYS  55   3.365 -10.842   4.340
  430   1HB   LYS  55           HB1      LYS  55   0.450 -10.377   3.492
  431   2HB   LYS  55           HB2      LYS  55   1.325 -11.749   2.748
  432   1HG   LYS  55           HG1      LYS  55   0.170 -12.702   4.420
  433   2HG   LYS  55           HG2      LYS  55   1.884 -12.718   4.905
  434   1HD   LYS  55           HD1      LYS  55   1.373 -10.794   6.521
  435   2HD   LYS  55           HD2      LYS  55  -0.333 -10.891   5.949
  436   1HE   LYS  55           HE1      LYS  55  -0.205 -13.444   6.621
  437   2HE   LYS  55           HE2      LYS  55   1.269 -12.985   7.560
  438   1HZ   LYS  55           HZ1      LYS  55  -1.466 -11.819   7.823
  439   2HZ   LYS  55           HZ2      LYS  55  -0.736 -12.935   8.876
  440   3HZ   LYS  55           HZ3      LYS  55  -0.106 -11.364   8.731
  441    H    LYS  56           H        LYS  56   3.142  -8.111   2.327
  442    HA   LYS  56           HA       LYS  56   4.395  -9.547   0.044
  443   1HB   LYS  56           HB1      LYS  56   2.354  -7.403   0.252
  444   2HB   LYS  56           HB2      LYS  56   3.674  -6.943  -0.845
  445   1HG   LYS  56           HG1      LYS  56   3.453  -8.979  -2.141
  446   2HG   LYS  56           HG2      LYS  56   2.212  -9.629  -1.124
  447   1HD   LYS  56           HD1      LYS  56   1.752  -6.918  -2.669
  448   2HD   LYS  56           HD2      LYS  56   1.614  -8.514  -3.424
  449   1HE   LYS  56           HE1      LYS  56  -0.077  -7.957  -0.936
  450   2HE   LYS  56           HE2      LYS  56  -0.622  -7.735  -2.652
  451   1HZ   LYS  56           HZ1      LYS  56  -0.153 -10.039  -3.069
  452   2HZ   LYS  56           HZ2      LYS  56   0.369 -10.271  -1.470
  453   3HZ   LYS  56           HZ3      LYS  56  -1.249  -9.861  -1.783
  454    H    CYS  57           H        CYS  57   4.998  -7.282   2.714
  455    HA   CYS  57           HA       CYS  57   7.582  -6.463   1.513
  456   1HB   CYS  57           HB1      CYS  57   5.446  -4.690   2.864
  457   2HB   CYS  57           HB2      CYS  57   7.093  -4.250   2.718
  458    H    LEU  58           H        LEU  58   6.516  -8.333   4.271
  459    HA   LEU  58           HA       LEU  58   9.045  -7.397   5.578
  460   1HB   LEU  58           HB1      LEU  58   6.349  -7.684   6.868
  461   2HB   LEU  58           HB2      LEU  58   7.779  -8.177   7.845
  462    HG   LEU  58           HG       LEU  58   7.498  -5.476   6.556
  463   1HD1  LEU  58           HD11     LEU  58   5.829  -5.874   8.512
  464   2HD1  LEU  58           HD12     LEU  58   7.210  -6.390   9.538
  465   3HD1  LEU  58           HD13     LEU  58   7.113  -4.686   8.969
  466   1HD2  LEU  58           HD21     LEU  58   9.580  -6.537   8.546
  467   2HD2  LEU  58           HD22     LEU  58   9.871  -5.944   6.861
  468   3HD2  LEU  58           HD23     LEU  58   9.324  -4.803   8.128
  469    H    GLY  59           H        GLY  59   7.322  -9.960   4.216
  470   1HA   GLY  59           HA1      GLY  59   7.567 -12.105   4.020
  471   2HA   GLY  59           HA2      GLY  59   9.109 -12.041   4.985
  472    H    LYS  60           H        LYS  60   5.538 -11.613   5.434
  473    HA   LYS  60           HA       LYS  60   5.706 -13.189   7.912
  474   1HB   LYS  60           HB1      LYS  60   3.563 -11.118   7.179
  475   2HB   LYS  60           HB2      LYS  60   3.944 -11.745   8.802
  476   1HG   LYS  60           HG1      LYS  60   6.332 -10.445   8.291
  477   2HG   LYS  60           HG2      LYS  60   5.323  -9.629   7.065
  478   1HD   LYS  60           HD1      LYS  60   5.155  -8.187   8.798
  479   2HD   LYS  60           HD2      LYS  60   3.657  -9.146   8.997
  480   1HE   LYS  60           HE1      LYS  60   4.660 -10.485  10.832
  481   2HE   LYS  60           HE2      LYS  60   6.223  -9.579  10.649
  482   1HZ   LYS  60           HZ1      LYS  60   3.573  -8.394  11.314
  483   2HZ   LYS  60           HZ2      LYS  60   4.852  -8.680  12.396
  484   3HZ   LYS  60           HZ3      LYS  60   5.036  -7.547  11.143
   
  No H/Q in entry =         484
  Start of MODEL    7
    1    H    TRP   1           H        TRP   1  13.607 -12.106   4.594
    2    HA   TRP   1           HA       TRP   1  12.423 -12.152   2.093
    3   1HB   TRP   1           HB1      TRP   1  10.270 -11.976   3.003
    4   2HB   TRP   1           HB2      TRP   1  10.681 -10.920   4.358
    5    HD1  TRP   1           HD1      TRP   1   9.094 -10.573   0.912
    6    HE1  TRP   1           HE1      TRP   1   8.700  -8.166   0.472
    7    HE3  TRP   1           HE3      TRP   1  11.937  -8.649   4.741
    8    HZ2  TRP   1           HZ2      TRP   1   9.665  -5.672   1.454
    9    HZ3  TRP   1           HZ3      TRP   1  12.119  -6.202   4.942
   10    HH2  TRP   1           HH2      TRP   1  11.023  -4.717   3.284
   11    H    GLN   2           H        GLN   2  12.786 -10.141   0.966
   12    HA   GLN   2           HA       GLN   2  14.319  -7.962   2.026
   13   1HB   GLN   2           HB1      GLN   2  15.308  -9.793  -0.269
   14   2HB   GLN   2           HB2      GLN   2  15.937  -8.142  -0.016
   15   1HG   GLN   2           HG1      GLN   2  16.328 -10.508   1.937
   16   2HG   GLN   2           HG2      GLN   2  17.540  -9.787   0.824
   17   1HE2  GLN   2           HE21     GLN   2  16.686  -7.867   4.342
   18   2HE2  GLN   2           HE22     GLN   2  15.605  -9.142   3.788
   19    HA   PRO   3           HA       PRO   3  10.957  -6.716  -0.251
   20   1HB   PRO   3           HB1      PRO   3  11.090  -4.209  -0.783
   21   2HB   PRO   3           HB2      PRO   3  11.430  -4.653   0.803
   22   1HG   PRO   3           HG1      PRO   3  13.800  -4.432  -1.130
   23   2HG   PRO   3           HG2      PRO   3  13.648  -3.585   0.441
   24   1HD   PRO   3           HD1      PRO   3  14.945  -5.956   0.222
   25   2HD   PRO   3           HD2      PRO   3  13.787  -5.721   1.623
   26    HA   PRO   4           HA       PRO   4  11.471  -7.386  -4.774
   27   1HB   PRO   4           HB1      PRO   4   8.492  -8.086  -4.461
   28   2HB   PRO   4           HB2      PRO   4   9.812  -8.996  -5.285
   29   1HG   PRO   4           HG1      PRO   4   8.950  -9.843  -2.803
   30   2HG   PRO   4           HG2      PRO   4  10.691  -9.672  -3.134
   31   1HD   PRO   4           HD1      PRO   4   9.104  -7.360  -1.644
   32   2HD   PRO   4           HD2      PRO   4  10.456  -8.436  -1.237
   33    H    TRP   5           H        TRP   5   8.148  -6.521  -5.234
   34    HA   TRP   5           HA       TRP   5   8.915  -3.918  -6.325
   35   1HB   TRP   5           HB1      TRP   5   6.633  -3.789  -7.452
   36   2HB   TRP   5           HB2      TRP   5   7.844  -4.938  -7.993
   37    HD1  TRP   5           HD1      TRP   5   7.372  -7.523  -7.835
   38    HE1  TRP   5           HE1      TRP   5   5.042  -8.731  -7.785
   39    HE3  TRP   5           HE3      TRP   5   4.005  -4.238  -5.932
   40    HZ2  TRP   5           HZ2      TRP   5   2.364  -8.118  -8.207
   41    HZ3  TRP   5           HZ3      TRP   5   1.765  -4.298  -6.429
   42    HH2  TRP   5           HH2      TRP   5   0.826  -6.281  -7.585
   43    H    TYR   6           H        TYR   6   5.937  -4.822  -4.794
   44    HA   TYR   6           HA       TYR   6   4.559  -2.733  -4.319
   45   1HB   TYR   6           HB1      TYR   6   4.393  -4.484  -1.859
   46   2HB   TYR   6           HB2      TYR   6   3.206  -4.165  -3.146
   47    HD1  TYR   6           HD1      TYR   6   6.335  -6.162  -2.340
   48    HD2  TYR   6           HD2      TYR   6   2.753  -5.872  -4.651
   49    HE1  TYR   6           HE1      TYR   6   6.655  -8.512  -3.312
   50    HE2  TYR   6           HE2      TYR   6   3.151  -8.142  -5.586
   51    HH   TYR   6           HH       TYR   6   5.828 -10.156  -4.494
   52    H    CYS   7           H        CYS   7   6.906  -3.510  -1.774
   53    HA   CYS   7           HA       CYS   7   6.395  -1.673  -0.007
   54   1HB   CYS   7           HB1      CYS   7   9.287  -2.423  -0.408
   55   2HB   CYS   7           HB2      CYS   7   8.428  -2.621   1.043
   56    H    LYS   8           H        LYS   8   8.404  -1.366  -2.942
   57    HA   LYS   8           HA       LYS   8   9.115   1.437  -2.407
   58   1HB   LYS   8           HB1      LYS   8  10.293  -0.502  -4.517
   59   2HB   LYS   8           HB2      LYS   8  10.969   1.047  -3.937
   60   1HG   LYS   8           HG1      LYS   8  12.190  -0.151  -2.415
   61   2HG   LYS   8           HG2      LYS   8  10.690  -0.675  -1.628
   62   1HD   LYS   8           HD1      LYS   8  11.469  -2.746  -2.114
   63   2HD   LYS   8           HD2      LYS   8  10.602  -2.475  -3.654
   64   1HE   LYS   8           HE1      LYS   8  12.797  -3.413  -4.135
   65   2HE   LYS   8           HE2      LYS   8  12.869  -1.670  -4.630
   66   1HZ   LYS   8           HZ1      LYS   8  13.827  -2.840  -2.059
   67   2HZ   LYS   8           HZ2      LYS   8  14.792  -2.355  -3.370
   68   3HZ   LYS   8           HZ3      LYS   8  13.904  -1.200  -2.495
   69    H    GLU   9           H        GLU   9   6.419   0.147  -3.695
   70    HA   GLU   9           HA       GLU   9   6.586   0.882  -6.499
   71   1HB   GLU   9           HB1      GLU   9   5.749  -1.208  -5.757
   72   2HB   GLU   9           HB2      GLU   9   4.415  -0.400  -4.949
   73   1HG   GLU   9           HG1      GLU   9   3.562  -1.043  -7.031
   74   2HG   GLU   9           HG2      GLU   9   3.871   0.642  -7.454
   75    HA   PRO  10           HA       PRO  10   5.163   4.887  -5.373
   76   1HB   PRO  10           HB1      PRO  10   4.128   5.275  -8.227
   77   2HB   PRO  10           HB2      PRO  10   5.200   6.352  -7.244
   78   1HG   PRO  10           HG1      PRO  10   6.245   4.716  -9.122
   79   2HG   PRO  10           HG2      PRO  10   7.052   4.753  -7.495
   80   1HD   PRO  10           HD1      PRO  10   4.947   2.711  -8.465
   81   2HD   PRO  10           HD2      PRO  10   6.562   2.371  -7.753
   82    H    VAL  11           H        VAL  11   3.388   5.591  -4.073
   83    HA   VAL  11           HA       VAL  11   0.795   4.565  -4.300
   84    HB   VAL  11           HB       VAL  11   1.922   4.994  -2.248
   85   1HG1  VAL  11           HG11     VAL  11   3.251   7.057  -2.825
   86   2HG1  VAL  11           HG12     VAL  11   1.733   8.026  -2.859
   87   3HG1  VAL  11           HG13     VAL  11   2.289   7.268  -1.330
   88   1HG2  VAL  11           HG21     VAL  11  -0.555   4.929  -2.226
   89   2HG2  VAL  11           HG22     VAL  11   0.094   6.012  -0.961
   90   3HG2  VAL  11           HG23     VAL  11  -0.629   6.726  -2.440
   91    H    ARG  12           H        ARG  12  -1.212   5.449  -4.896
   92    HA   ARG  12           HA       ARG  12  -1.337   7.982  -6.455
   93   1HB   ARG  12           HB1      ARG  12  -2.033   5.222  -7.470
   94   2HB   ARG  12           HB2      ARG  12  -2.635   6.753  -8.193
   95   1HG   ARG  12           HG1      ARG  12  -0.125   7.446  -8.402
   96   2HG   ARG  12           HG2      ARG  12   0.140   5.720  -7.926
   97   1HD   ARG  12           HD1      ARG  12  -1.477   5.132  -9.974
   98   2HD   ARG  12           HD2      ARG  12  -1.795   6.933  -9.977
   99    HE   ARG  12           HE       ARG  12   0.985   6.495 -10.755
  100   1HH1  ARG  12           HH11     ARG  12  -2.297   6.400 -11.904
  101   2HH1  ARG  12           HH12     ARG  12  -1.813   6.956 -13.499
  102   1HH2  ARG  12           HH21     ARG  12   1.588   7.045 -12.741
  103   2HH2  ARG  12           HH22     ARG  12   0.387   7.283 -13.964
  104    H    ILE  13           H        ILE  13  -3.267   9.055  -5.502
  105    HA   ILE  13           HA       ILE  13  -5.370   7.421  -4.344
  106    HB   ILE  13           HB       ILE  13  -4.436   9.377  -3.183
  107   1HG1  ILE  13           HG11     ILE  13  -7.471   9.391  -3.699
  108   2HG1  ILE  13           HG12     ILE  13  -6.584   8.128  -2.809
  109   1HG2  ILE  13           HG21     ILE  13  -4.579  11.155  -5.080
  110   2HG2  ILE  13           HG22     ILE  13  -6.390  10.960  -4.922
  111   3HG2  ILE  13           HG23     ILE  13  -5.386  11.538  -3.538
  112   1HD1  ILE  13           HD11     ILE  13  -6.744  11.105  -1.940
  113   2HD1  ILE  13           HD12     ILE  13  -7.738   9.773  -1.257
  114   3HD1  ILE  13           HD13     ILE  13  -5.941   9.748  -1.047
  115    H    GLY  14           H        GLY  14  -4.865   9.334  -7.146
  116   1HA   GLY  14           HA1      GLY  14  -5.980   9.198  -9.185
  117   2HA   GLY  14           HA2      GLY  14  -7.367   8.418  -8.388
  118    H    SER  15           H        SER  15  -8.563  10.011  -6.805
  119    HA   SER  15           HA       SER  15  -9.881  11.723  -6.512
  120   1HB   SER  15           HB1      SER  15  -8.152  13.416  -8.404
  121   2HB   SER  15           HB2      SER  15  -9.553  14.036  -7.458
  122    HG   SER  15           HG       SER  15  -7.129  13.938  -6.641
  123    H    CYS  16           H        CYS  16 -11.247  10.010  -7.688
  124    HA   CYS  16           HA       CYS  16 -12.355  11.169 -10.175
  125   1HB   CYS  16           HB1      CYS  16 -12.065   8.175  -9.471
  126   2HB   CYS  16           HB2      CYS  16 -12.776   8.852 -10.919
  127    H    LYS  17           H        LYS  17 -12.952   8.812  -7.680
  128    HA   LYS  17           HA       LYS  17 -15.841   9.125  -7.865
  129   1HB   LYS  17           HB1      LYS  17 -14.112   7.063  -6.321
  130   2HB   LYS  17           HB2      LYS  17 -15.902   6.962  -6.604
  131   1HG   LYS  17           HG1      LYS  17 -13.663   6.692  -8.703
  132   2HG   LYS  17           HG2      LYS  17 -14.700   5.449  -7.967
  133   1HD   LYS  17           HD1      LYS  17 -16.707   6.956  -8.874
  134   2HD   LYS  17           HD2      LYS  17 -15.456   7.649  -9.961
  135   1HE   LYS  17           HE1      LYS  17 -16.270   4.686  -9.635
  136   2HE   LYS  17           HE2      LYS  17 -16.716   5.752 -11.035
  137   1HZ   LYS  17           HZ1      LYS  17 -13.961   4.945 -10.244
  138   2HZ   LYS  17           HZ2      LYS  17 -14.861   4.326 -11.545
  139   3HZ   LYS  17           HZ3      LYS  17 -14.371   5.952 -11.549
  140    H    LYS  18           H        LYS  18 -14.139   8.279  -4.935
  141    HA   LYS  18           HA       LYS  18 -15.080  10.491  -3.302
  142   1HB   LYS  18           HB1      LYS  18 -17.035   8.925  -3.317
  143   2HB   LYS  18           HB2      LYS  18 -15.964   7.539  -3.031
  144   1HG   LYS  18           HG1      LYS  18 -17.325   7.993  -1.115
  145   2HG   LYS  18           HG2      LYS  18 -15.641   8.257  -0.645
  146   1HD   LYS  18           HD1      LYS  18 -16.027  10.806  -1.003
  147   2HD   LYS  18           HD2      LYS  18 -17.763  10.422  -1.267
  148   1HE   LYS  18           HE1      LYS  18 -17.864   9.477   1.122
  149   2HE   LYS  18           HE2      LYS  18 -16.130   9.957   1.331
  150   1HZ   LYS  18           HZ1      LYS  18 -16.775  12.229   0.908
  151   2HZ   LYS  18           HZ2      LYS  18 -18.398  11.773   0.699
  152   3HZ   LYS  18           HZ3      LYS  18 -17.647  11.571   2.209
  153    H    GLN  19           H        GLN  19 -14.097   9.360  -0.857
  154    HA   GLN  19           HA       GLN  19 -11.460   8.232  -1.534
  155   1HB   GLN  19           HB1      GLN  19 -11.655   9.782   1.051
  156   2HB   GLN  19           HB2      GLN  19 -10.363   9.564  -0.170
  157   1HG   GLN  19           HG1      GLN  19 -10.770  11.823  -0.161
  158   2HG   GLN  19           HG2      GLN  19 -11.533  11.272  -1.685
  159   1HE2  GLN  19           HE21     GLN  19 -13.926  13.615  -0.081
  160   2HE2  GLN  19           HE22     GLN  19 -12.442  13.643  -1.010
  161    H    PHE  20           H        PHE  20 -11.731   6.088  -1.178
  162    HA   PHE  20           HA       PHE  20 -13.446   5.060   0.975
  163   1HB   PHE  20           HB1      PHE  20 -11.886   3.627  -1.289
  164   2HB   PHE  20           HB2      PHE  20 -13.170   2.880  -0.268
  165    HD1  PHE  20           HD1      PHE  20 -15.358   4.896  -0.289
  166    HD2  PHE  20           HD2      PHE  20 -12.722   3.650  -3.498
  167    HE1  PHE  20           HE1      PHE  20 -17.082   5.428  -1.931
  168    HE2  PHE  20           HE2      PHE  20 -14.475   4.182  -5.120
  169    HZ   PHE  20           HZ       PHE  20 -16.657   5.083  -4.366
  170    H    SER  21           H        SER  21 -12.569   3.694   2.688
  171    HA   SER  21           HA       SER  21  -9.906   4.248   3.497
  172   1HB   SER  21           HB1      SER  21 -11.874   3.918   5.082
  173   2HB   SER  21           HB2      SER  21 -11.737   2.153   4.800
  174    HG   SER  21           HG       SER  21  -9.881   3.951   6.014
  175    H    SER  22           H        SER  22  -8.080   3.442   2.824
  176    HA   SER  22           HA       SER  22  -7.827   0.587   2.100
  177   1HB   SER  22           HB1      SER  22  -6.256   1.264   0.282
  178   2HB   SER  22           HB2      SER  22  -7.652   2.282   0.100
  179    HG   SER  22           HG       SER  22  -6.262   3.682   1.745
  180    H    PHE  23           H        PHE  23  -5.237   0.519   1.712
  181    HA   PHE  23           HA       PHE  23  -3.502   1.356   3.848
  182   1HB   PHE  23           HB1      PHE  23  -4.346  -1.493   3.399
  183   2HB   PHE  23           HB2      PHE  23  -2.689  -1.379   3.930
  184    HD1  PHE  23           HD1      PHE  23  -2.281   0.058   6.094
  185    HD2  PHE  23           HD2      PHE  23  -6.177  -1.320   4.954
  186    HE1  PHE  23           HE1      PHE  23  -3.067   0.396   8.413
  187    HE2  PHE  23           HE2      PHE  23  -6.967  -1.054   7.303
  188    HZ   PHE  23           HZ       PHE  23  -5.408  -0.179   9.032
  189    H    TYR  24           H        TYR  24  -1.344   1.262   3.245
  190    HA   TYR  24           HA       TYR  24  -0.483   0.164   0.678
  191   1HB   TYR  24           HB1      TYR  24   0.410   1.996  -0.398
  192   2HB   TYR  24           HB2      TYR  24  -1.216   2.507   0.094
  193    HD1  TYR  24           HD1      TYR  24  -1.355   3.976   2.326
  194    HD2  TYR  24           HD2      TYR  24   2.268   3.340   0.105
  195    HE1  TYR  24           HE1      TYR  24  -0.427   6.030   3.282
  196    HE2  TYR  24           HE2      TYR  24   3.267   5.357   1.185
  197    HH   TYR  24           HH       TYR  24   1.339   7.536   3.224
  198    H    PHE  25           H        PHE  25   1.975  -0.243   0.531
  199    HA   PHE  25           HA       PHE  25   3.165  -0.240   3.240
  200   1HB   PHE  25           HB1      PHE  25   3.082  -2.469   1.802
  201   2HB   PHE  25           HB2      PHE  25   4.407  -1.757   0.849
  202    HD1  PHE  25           HD1      PHE  25   6.669  -1.174   2.194
  203    HD2  PHE  25           HD2      PHE  25   3.433  -3.512   3.855
  204    HE1  PHE  25           HE1      PHE  25   8.027  -1.825   4.195
  205    HE2  PHE  25           HE2      PHE  25   4.696  -4.080   5.762
  206    HZ   PHE  25           HZ       PHE  25   7.081  -3.181   5.966
  207    H    LYS  26           H        LYS  26   4.526   1.463   3.720
  208    HA   LYS  26           HA       LYS  26   5.654   3.065   1.573
  209   1HB   LYS  26           HB1      LYS  26   4.111   4.088   3.160
  210   2HB   LYS  26           HB2      LYS  26   4.972   3.357   4.532
  211   1HG   LYS  26           HG1      LYS  26   5.165   5.490   4.346
  212   2HG   LYS  26           HG2      LYS  26   6.873   4.935   4.225
  213   1HD   LYS  26           HD1      LYS  26   7.168   6.079   2.183
  214   2HD   LYS  26           HD2      LYS  26   5.534   5.606   1.576
  215   1HE   LYS  26           HE1      LYS  26   4.503   7.295   2.992
  216   2HE   LYS  26           HE2      LYS  26   6.112   7.885   3.579
  217   1HZ   LYS  26           HZ1      LYS  26   5.182   7.866   0.747
  218   2HZ   LYS  26           HZ2      LYS  26   5.305   9.221   1.762
  219   3HZ   LYS  26           HZ3      LYS  26   6.705   8.383   1.291
  220    H    TRP  27           H        TRP  27   7.679   2.237   1.028
  221    HA   TRP  27           HA       TRP  27   9.454   0.738   2.215
  222   1HB   TRP  27           HB1      TRP  27   9.522   1.383  -0.125
  223   2HB   TRP  27           HB2      TRP  27   9.514   3.111   0.238
  224    HD1  TRP  27           HD1      TRP  27  11.732   4.006  -0.665
  225    HE1  TRP  27           HE1      TRP  27  14.193   3.148  -0.765
  226    HE3  TRP  27           HE3      TRP  27  10.968  -0.481   1.303
  227    HZ2  TRP  27           HZ2      TRP  27  15.642   0.846   0.162
  228    HZ3  TRP  27           HZ3      TRP  27  12.883  -1.960   1.958
  229    HH2  TRP  27           HH2      TRP  27  15.190  -1.363   1.257
  230    H    THR  28           H        THR  28   9.520   4.328   2.529
  231    HA   THR  28           HA       THR  28  11.847   4.251   4.198
  232    HB   THR  28           HB       THR  28  11.516   6.825   4.290
  233    HG1  THR  28           HG1      THR  28  10.266   7.564   2.552
  234   1HG2  THR  28           HG21     THR  28  13.164   5.597   2.857
  235   2HG2  THR  28           HG22     THR  28  11.894   5.360   1.605
  236   3HG2  THR  28           HG23     THR  28  12.468   7.019   2.006
  237    H    ALA  29           H        ALA  29   8.806   3.455   4.978
  238    HA   ALA  29           HA       ALA  29   8.956   4.555   7.749
  239   1HB   ALA  29           HB1      ALA  29   6.517   3.316   6.279
  240   2HB   ALA  29           HB2      ALA  29   6.545   3.950   7.975
  241   3HB   ALA  29           HB3      ALA  29   6.800   5.060   6.592
  242    H    LYS  30           H        LYS  30   8.398   1.666   5.756
  243    HA   LYS  30           HA       LYS  30   8.991  -0.401   5.863
  244   1HB   LYS  30           HB1      LYS  30  11.142   0.403   7.143
  245   2HB   LYS  30           HB2      LYS  30  10.380  -0.413   8.527
  246   1HG   LYS  30           HG1      LYS  30  11.725  -2.082   7.505
  247   2HG   LYS  30           HG2      LYS  30  10.105  -2.480   6.881
  248   1HD   LYS  30           HD1      LYS  30  11.531  -2.664   4.988
  249   2HD   LYS  30           HD2      LYS  30  10.752  -1.064   4.765
  250   1HE   LYS  30           HE1      LYS  30  13.113  -0.866   4.195
  251   2HE   LYS  30           HE2      LYS  30  12.877   0.020   5.751
  252   1HZ   LYS  30           HZ1      LYS  30  13.912  -2.755   5.427
  253   2HZ   LYS  30           HZ2      LYS  30  14.824  -1.366   5.776
  254   3HZ   LYS  30           HZ3      LYS  30  13.690  -1.943   6.901
  255    H    LYS  31           H        LYS  31   6.544   0.722   6.912
  256    HA   LYS  31           HA       LYS  31   5.403  -1.673   8.044
  257   1HB   LYS  31           HB1      LYS  31   6.195  -0.298  10.023
  258   2HB   LYS  31           HB2      LYS  31   5.215   1.085   9.472
  259   1HG   LYS  31           HG1      LYS  31   3.126  -0.229   9.967
  260   2HG   LYS  31           HG2      LYS  31   4.142  -1.695  10.315
  261   1HD   LYS  31           HD1      LYS  31   5.181  -0.475  12.227
  262   2HD   LYS  31           HD2      LYS  31   4.130   0.943  11.871
  263   1HE   LYS  31           HE1      LYS  31   2.077  -0.466  12.270
  264   2HE   LYS  31           HE2      LYS  31   3.133  -1.892  12.641
  265   1HZ   LYS  31           HZ1      LYS  31   3.104   0.696  14.099
  266   2HZ   LYS  31           HZ2      LYS  31   2.407  -0.766  14.611
  267   3HZ   LYS  31           HZ3      LYS  31   4.092  -0.641  14.445
  268    H    CYS  32           H        CYS  32   2.994  -1.479   7.889
  269    HA   CYS  32           HA       CYS  32   2.068  -0.247   5.478
  270   1HB   CYS  32           HB1      CYS  32   0.756  -1.931   7.723
  271   2HB   CYS  32           HB2      CYS  32  -0.129  -1.473   6.220
  272    H    LEU  33           H        LEU  33   0.893   1.605   5.205
  273    HA   LEU  33           HA       LEU  33  -0.187   2.959   7.607
  274   1HB   LEU  33           HB1      LEU  33   0.935   4.239   5.051
  275   2HB   LEU  33           HB2      LEU  33   0.268   5.126   6.461
  276    HG   LEU  33           HG       LEU  33   2.804   3.401   6.463
  277   1HD1  LEU  33           HD11     LEU  33   2.920   5.485   5.132
  278   2HD1  LEU  33           HD12     LEU  33   2.394   6.451   6.560
  279   3HD1  LEU  33           HD13     LEU  33   3.976   5.578   6.602
  280   1HD2  LEU  33           HD21     LEU  33   1.585   5.185   8.683
  281   2HD2  LEU  33           HD22     LEU  33   1.736   3.386   8.740
  282   3HD2  LEU  33           HD23     LEU  33   3.210   4.409   8.724
  283    HA   PRO  34           HA       PRO  34  -3.985   2.994   4.971
  284   1HB   PRO  34           HB1      PRO  34  -5.680   4.311   6.618
  285   2HB   PRO  34           HB2      PRO  34  -4.937   2.751   7.108
  286   1HG   PRO  34           HG1      PRO  34  -4.062   5.557   7.972
  287   2HG   PRO  34           HG2      PRO  34  -4.293   4.093   9.012
  288   1HD   PRO  34           HD1      PRO  34  -1.813   4.999   7.789
  289   2HD   PRO  34           HD2      PRO  34  -2.133   3.327   8.459
  290    H    PHE  35           H        PHE  35  -4.202   4.062   3.185
  291    HA   PHE  35           HA       PHE  35  -4.308   7.029   3.282
  292   1HB   PHE  35           HB1      PHE  35  -3.420   7.438   1.199
  293   2HB   PHE  35           HB2      PHE  35  -2.286   6.257   1.886
  294    HD1  PHE  35           HD1      PHE  35  -3.324   3.585   1.199
  295    HD2  PHE  35           HD2      PHE  35  -3.772   7.244  -1.141
  296    HE1  PHE  35           HE1      PHE  35  -3.664   2.285  -0.794
  297    HE2  PHE  35           HE2      PHE  35  -4.106   5.862  -3.092
  298    HZ   PHE  35           HZ       PHE  35  -4.163   3.386  -2.933
  299    H    LEU  36           H        LEU  36  -5.821   7.359   0.856
  300    HA   LEU  36           HA       LEU  36  -8.147   5.620   1.284
  301   1HB   LEU  36           HB1      LEU  36  -7.962   8.656   0.535
  302   2HB   LEU  36           HB2      LEU  36  -9.423   7.675   0.522
  303    HG   LEU  36           HG       LEU  36  -7.781   7.980   3.079
  304   1HD1  LEU  36           HD11     LEU  36  -8.142  10.292   2.281
  305   2HD1  LEU  36           HD12     LEU  36  -9.923  10.020   2.226
  306   3HD1  LEU  36           HD13     LEU  36  -9.047   9.915   3.785
  307   1HD2  LEU  36           HD21     LEU  36  -9.577   6.261   3.039
  308   2HD2  LEU  36           HD22     LEU  36  -9.937   7.575   4.206
  309   3HD2  LEU  36           HD23     LEU  36 -10.802   7.522   2.627
  310    H    PHE  37           H        PHE  37  -9.234   5.139  -0.653
  311    HA   PHE  37           HA       PHE  37  -7.633   5.599  -3.186
  312   1HB   PHE  37           HB1      PHE  37  -7.487   3.261  -2.562
  313   2HB   PHE  37           HB2      PHE  37  -9.290   3.185  -2.305
  314    HD1  PHE  37           HD1      PHE  37  -7.152   4.426  -5.461
  315    HD2  PHE  37           HD2      PHE  37 -10.261   1.839  -3.810
  316    HE1  PHE  37           HE1      PHE  37  -7.530   3.434  -7.609
  317    HE2  PHE  37           HE2      PHE  37 -10.667   0.985  -6.088
  318    HZ   PHE  37           HZ       PHE  37  -9.162   1.646  -7.937
  319    H    SER  38           H        SER  38  -8.610   6.602  -4.945
  320    HA   SER  38           HA       SER  38 -11.522   7.060  -4.800
  321   1HB   SER  38           HB1      SER  38  -9.838   9.014  -4.684
  322   2HB   SER  38           HB2      SER  38  -9.564   8.709  -6.442
  323    HG   SER  38           HG       SER  38 -11.981   9.313  -5.065
  324    H    GLY  39           H        GLY  39 -10.484   4.523  -5.940
  325   1HA   GLY  39           HA1      GLY  39 -11.338   3.146  -7.394
  326   2HA   GLY  39           HA2      GLY  39 -12.467   4.314  -7.853
  327    H    CYS  40           H        CYS  40 -10.692   6.063  -9.245
  328    HA   CYS  40           HA       CYS  40  -9.542   4.415 -11.424
  329   1HB   CYS  40           HB1      CYS  40 -10.703   5.447 -13.019
  330   2HB   CYS  40           HB2      CYS  40 -11.804   5.903 -11.721
  331    H    GLY  41           H        GLY  41  -7.658   5.698 -12.499
  332   1HA   GLY  41           HA1      GLY  41  -5.809   7.207 -12.284
  333   2HA   GLY  41           HA2      GLY  41  -6.382   7.657 -10.677
  334    H    GLY  42           H        GLY  42  -6.433   4.898  -9.610
  335   1HA   GLY  42           HA1      GLY  42  -3.928   4.666  -8.517
  336   2HA   GLY  42           HA2      GLY  42  -5.225   3.443  -8.561
  337    H    ASN  43           H        ASN  43  -3.094   2.235  -8.176
  338    HA   ASN  43           HA       ASN  43  -2.367   1.053 -10.777
  339   1HB   ASN  43           HB1      ASN  43   0.056   0.936 -10.345
  340   2HB   ASN  43           HB2      ASN  43  -0.587   2.573 -10.587
  341   1HD2  ASN  43           HD21     ASN  43   1.325   3.582  -7.871
  342   2HD2  ASN  43           HD22     ASN  43   0.622   3.932  -9.454
  343    H    ALA  44           H        ALA  44  -0.552   0.096  -7.991
  344    HA   ALA  44           HA       ALA  44  -2.279  -2.226  -7.491
  345   1HB   ALA  44           HB1      ALA  44  -1.188  -2.806  -9.660
  346   2HB   ALA  44           HB2      ALA  44   0.428  -2.612  -8.905
  347   3HB   ALA  44           HB3      ALA  44  -0.720  -3.921  -8.363
  348    H    ASN  45           H        ASN  45  -0.231   0.071  -6.158
  349    HA   ASN  45           HA       ASN  45   0.853  -1.818  -4.124
  350   1HB   ASN  45           HB1      ASN  45   2.283   0.084  -5.066
  351   2HB   ASN  45           HB2      ASN  45   1.231   1.257  -4.268
  352   1HD2  ASN  45           HD21     ASN  45   3.631   0.960  -1.560
  353   2HD2  ASN  45           HD22     ASN  45   3.439   1.765  -3.110
  354    H    ARG  46           H        ARG  46  -1.823  -1.993  -4.056
  355    HA   ARG  46           HA       ARG  46  -2.627  -0.531  -1.653
  356   1HB   ARG  46           HB1      ARG  46  -4.822   0.100  -2.481
  357   2HB   ARG  46           HB2      ARG  46  -3.556   0.858  -3.461
  358   1HG   ARG  46           HG1      ARG  46  -4.602  -1.758  -4.590
  359   2HG   ARG  46           HG2      ARG  46  -5.712  -0.370  -4.541
  360   1HD   ARG  46           HD1      ARG  46  -2.854  -0.122  -5.709
  361   2HD   ARG  46           HD2      ARG  46  -4.256  -0.687  -6.719
  362    HE   ARG  46           HE       ARG  46  -5.408   1.418  -5.664
  363   1HH1  ARG  46           HH11     ARG  46  -1.873   1.927  -6.304
  364   2HH1  ARG  46           HH12     ARG  46  -2.203   3.613  -6.245
  365   1HH2  ARG  46           HH21     ARG  46  -5.597   3.351  -5.761
  366   2HH2  ARG  46           HH22     ARG  46  -4.199   4.395  -5.768
  367    H    PHE  47           H        PHE  47  -3.979  -1.529  -0.357
  368    HA   PHE  47           HA       PHE  47  -4.375  -4.440  -0.708
  369   1HB   PHE  47           HB1      PHE  47  -3.306  -2.662   1.591
  370   2HB   PHE  47           HB2      PHE  47  -3.396  -4.389   1.816
  371    HD1  PHE  47           HD1      PHE  47  -2.139  -5.651  -0.564
  372    HD2  PHE  47           HD2      PHE  47  -1.218  -1.830   1.148
  373    HE1  PHE  47           HE1      PHE  47   0.096  -5.640  -1.683
  374    HE2  PHE  47           HE2      PHE  47   0.968  -1.842  -0.009
  375    HZ   PHE  47           HZ       PHE  47   1.621  -3.754  -1.386
  376    H    GLN  48           H        GLN  48  -6.537  -5.091  -0.050
  377    HA   GLN  48           HA       GLN  48  -8.400  -3.038   0.535
  378   1HB   GLN  48           HB1      GLN  48 -10.097  -4.542   0.050
  379   2HB   GLN  48           HB2      GLN  48  -8.731  -5.189  -0.888
  380   1HG   GLN  48           HG1      GLN  48  -9.988  -6.239   1.763
  381   2HG   GLN  48           HG2      GLN  48 -10.096  -6.982   0.143
  382   1HE2  GLN  48           HE21     GLN  48  -6.728  -8.332   0.338
  383   2HE2  GLN  48           HE22     GLN  48  -7.892  -7.726  -0.814
  384    H    THR  49           H        THR  49  -6.486  -4.797   2.714
  385    HA   THR  49           HA       THR  49  -7.779  -3.637   5.021
  386    HB   THR  49           HB       THR  49  -7.604  -5.761   6.374
  387    HG1  THR  49           HG1      THR  49  -7.451  -7.100   3.840
  388   1HG2  THR  49           HG21     THR  49  -9.815  -5.024   5.459
  389   2HG2  THR  49           HG22     THR  49  -9.542  -6.034   4.000
  390   3HG2  THR  49           HG23     THR  49  -9.673  -6.816   5.616
  391    H    ILE  50           H        ILE  50  -5.931  -4.436   6.986
  392    HA   ILE  50           HA       ILE  50  -3.428  -3.520   5.944
  393    HB   ILE  50           HB       ILE  50  -4.383  -2.842   8.111
  394   1HG1  ILE  50           HG11     ILE  50  -1.562  -4.067   8.267
  395   2HG1  ILE  50           HG12     ILE  50  -2.021  -2.507   7.479
  396   1HG2  ILE  50           HG21     ILE  50  -5.231  -5.148   8.857
  397   2HG2  ILE  50           HG22     ILE  50  -3.516  -5.589   9.211
  398   3HG2  ILE  50           HG23     ILE  50  -4.298  -4.238  10.086
  399   1HD1  ILE  50           HD11     ILE  50  -2.952  -1.763   9.775
  400   2HD1  ILE  50           HD12     ILE  50  -2.142  -3.209  10.477
  401   3HD1  ILE  50           HD13     ILE  50  -1.165  -1.932   9.675
  402    H    GLY  51           H        GLY  51  -4.799  -6.706   6.541
  403   1HA   GLY  51           HA1      GLY  51  -2.172  -7.943   6.835
  404   2HA   GLY  51           HA2      GLY  51  -3.748  -8.692   6.977
  405    H    GLU  52           H        GLU  52  -3.209  -6.797   4.285
  406    HA   GLU  52           HA       GLU  52  -2.376  -9.016   2.474
  407   1HB   GLU  52           HB1      GLU  52  -4.728  -7.977   2.187
  408   2HB   GLU  52           HB2      GLU  52  -3.935  -6.446   1.781
  409   1HG   GLU  52           HG1      GLU  52  -4.486  -7.409  -0.344
  410   2HG   GLU  52           HG2      GLU  52  -2.734  -7.786  -0.184
  411    H    CYS  53           H        CYS  53  -1.475  -6.061   4.003
  412    HA   CYS  53           HA       CYS  53   0.335  -5.091   1.968
  413   1HB   CYS  53           HB1      CYS  53  -1.096  -3.534   3.012
  414   2HB   CYS  53           HB2      CYS  53  -0.784  -4.053   4.643
  415    H    ARG  54           H        ARG  54   0.770  -6.575   5.165
  416    HA   ARG  54           HA       ARG  54   3.681  -6.258   5.174
  417   1HB   ARG  54           HB1      ARG  54   3.752  -6.808   7.304
  418   2HB   ARG  54           HB2      ARG  54   2.370  -5.706   7.092
  419   1HG   ARG  54           HG1      ARG  54   2.009  -8.764   7.522
  420   2HG   ARG  54           HG2      ARG  54   2.171  -7.496   8.786
  421   1HD   ARG  54           HD1      ARG  54   0.128  -6.301   7.679
  422   2HD   ARG  54           HD2      ARG  54  -0.105  -7.889   6.842
  423    HE   ARG  54           HE       ARG  54  -0.546  -8.957   8.943
  424   1HH1  ARG  54           HH11     ARG  54   0.714  -5.882   9.495
  425   2HH1  ARG  54           HH12     ARG  54   0.187  -5.653  11.147
  426   1HH2  ARG  54           HH21     ARG  54  -1.363  -8.771  11.155
  427   2HH2  ARG  54           HH22     ARG  54  -1.020  -7.343  12.071
  428    H    LYS  55           H        LYS  55   1.530  -8.839   4.316
  429    HA   LYS  55           HA       LYS  55   3.429 -10.979   4.328
  430   1HB   LYS  55           HB1      LYS  55   1.018 -11.142   4.614
  431   2HB   LYS  55           HB2      LYS  55   0.676 -10.639   2.933
  432   1HG   LYS  55           HG1      LYS  55   1.583 -12.731   2.059
  433   2HG   LYS  55           HG2      LYS  55   2.372 -13.121   3.620
  434   1HD   LYS  55           HD1      LYS  55  -0.682 -13.050   3.180
  435   2HD   LYS  55           HD2      LYS  55   0.366 -14.515   3.211
  436   1HE   LYS  55           HE1      LYS  55   1.030 -13.999   5.601
  437   2HE   LYS  55           HE2      LYS  55  -0.134 -12.614   5.607
  438   1HZ   LYS  55           HZ1      LYS  55  -0.810 -15.464   5.101
  439   2HZ   LYS  55           HZ2      LYS  55  -1.087 -14.590   6.531
  440   3HZ   LYS  55           HZ3      LYS  55  -1.899 -14.160   5.102
  441    H    LYS  56           H        LYS  56   3.027  -8.415   2.020
  442    HA   LYS  56           HA       LYS  56   4.519  -9.823  -0.090
  443   1HB   LYS  56           HB1      LYS  56   2.580  -7.528   0.071
  444   2HB   LYS  56           HB2      LYS  56   3.893  -7.250  -1.094
  445   1HG   LYS  56           HG1      LYS  56   3.564  -9.353  -2.158
  446   2HG   LYS  56           HG2      LYS  56   2.179  -9.785  -1.115
  447   1HD   LYS  56           HD1      LYS  56   2.077  -7.146  -2.812
  448   2HD   LYS  56           HD2      LYS  56   1.818  -8.735  -3.577
  449   1HE   LYS  56           HE1      LYS  56   0.152  -7.907  -1.115
  450   2HE   LYS  56           HE2      LYS  56  -0.372  -7.728  -2.838
  451   1HZ   LYS  56           HZ1      LYS  56  -0.129 -10.089  -3.123
  452   2HZ   LYS  56           HZ2      LYS  56   0.367 -10.279  -1.510
  453   3HZ   LYS  56           HZ3      LYS  56  -1.203  -9.730  -1.857
  454    H    CYS  57           H        CYS  57   4.925  -7.471   2.460
  455    HA   CYS  57           HA       CYS  57   7.602  -6.547   1.387
  456   1HB   CYS  57           HB1      CYS  57   5.129  -5.013   2.309
  457   2HB   CYS  57           HB2      CYS  57   6.738  -4.233   2.335
  458    H    LEU  58           H        LEU  58   6.826  -8.386   3.892
  459    HA   LEU  58           HA       LEU  58   8.915  -7.124   5.496
  460   1HB   LEU  58           HB1      LEU  58   6.166  -7.546   6.640
  461   2HB   LEU  58           HB2      LEU  58   7.580  -7.778   7.732
  462    HG   LEU  58           HG       LEU  58   7.027  -5.285   6.164
  463   1HD1  LEU  58           HD11     LEU  58   6.652  -5.959   9.177
  464   2HD1  LEU  58           HD12     LEU  58   6.515  -4.299   8.488
  465   3HD1  LEU  58           HD13     LEU  58   5.338  -5.576   8.012
  466   1HD2  LEU  58           HD21     LEU  58   9.152  -5.813   8.331
  467   2HD2  LEU  58           HD22     LEU  58   9.455  -5.426   6.593
  468   3HD2  LEU  58           HD23     LEU  58   8.717  -4.196   7.663
  469    H    GLY  59           H        GLY  59   7.268  -9.972   4.421
  470   1HA   GLY  59           HA1      GLY  59   7.702 -12.095   4.425
  471   2HA   GLY  59           HA2      GLY  59   9.120 -11.862   5.543
  472    H    LYS  60           H        LYS  60   5.508 -11.630   5.476
  473    HA   LYS  60           HA       LYS  60   5.175 -13.320   7.736
  474   1HB   LYS  60           HB1      LYS  60   3.989 -11.489   9.076
  475   2HB   LYS  60           HB2      LYS  60   5.786 -11.402   9.057
  476   1HG   LYS  60           HG1      LYS  60   5.636  -9.637   7.180
  477   2HG   LYS  60           HG2      LYS  60   3.879  -9.644   7.407
  478   1HD   LYS  60           HD1      LYS  60   6.107  -8.790   9.360
  479   2HD   LYS  60           HD2      LYS  60   4.885  -7.795   8.501
  480   1HE   LYS  60           HE1      LYS  60   3.088  -9.022   9.991
  481   2HE   LYS  60           HE2      LYS  60   4.475  -9.717  10.915
  482   1HZ   LYS  60           HZ1      LYS  60   5.232  -7.469  11.348
  483   2HZ   LYS  60           HZ2      LYS  60   3.929  -6.822  10.471
  484   3HZ   LYS  60           HZ3      LYS  60   3.641  -7.698  11.897
   
  No H/Q in entry =         484
  Start of MODEL    8
    1    H    TRP   1           H        TRP   1  13.437 -12.234   2.521
    2    HA   TRP   1           HA       TRP   1  11.644 -11.780   0.470
    3   1HB   TRP   1           HB1      TRP   1   9.807 -11.529   2.152
    4   2HB   TRP   1           HB2      TRP   1  10.888 -10.611   3.222
    5    HD1  TRP   1           HD1      TRP   1   8.689 -10.037  -0.103
    6    HE1  TRP   1           HE1      TRP   1   8.194  -7.672  -0.208
    7    HE3  TRP   1           HE3      TRP   1  11.815  -8.440   3.675
    8    HZ2  TRP   1           HZ2      TRP   1   9.113  -5.256   0.947
    9    HZ3  TRP   1           HZ3      TRP   1  11.934  -5.984   4.081
   10    HH2  TRP   1           HH2      TRP   1  10.575  -4.417   2.647
   11    H    GLN   2           H        GLN   2  12.079  -9.691  -0.482
   12    HA   GLN   2           HA       GLN   2  14.001  -7.879   0.650
   13   1HB   GLN   2           HB1      GLN   2  14.444  -9.226  -2.119
   14   2HB   GLN   2           HB2      GLN   2  15.223  -7.695  -1.593
   15   1HG   GLN   2           HG1      GLN   2  16.318  -8.960   0.339
   16   2HG   GLN   2           HG2      GLN   2  15.668 -10.481  -0.357
   17   1HE2  GLN   2           HE21     GLN   2  19.026  -8.892  -1.962
   18   2HE2  GLN   2           HE22     GLN   2  18.213  -8.082  -0.644
   19    HA   PRO   3           HA       PRO   3  10.491  -5.964  -0.906
   20   1HB   PRO   3           HB1      PRO   3  11.414  -3.260  -1.375
   21   2HB   PRO   3           HB2      PRO   3  10.680  -4.033   0.080
   22   1HG   PRO   3           HG1      PRO   3  13.525  -3.261  -0.199
   23   2HG   PRO   3           HG2      PRO   3  12.726  -4.177   1.139
   24   1HD   PRO   3           HD1      PRO   3  14.233  -5.142  -1.322
   25   2HD   PRO   3           HD2      PRO   3  14.203  -5.834   0.359
   26    HA   PRO   4           HA       PRO   4  10.766  -6.070  -5.455
   27   1HB   PRO   4           HB1      PRO   4   7.838  -6.938  -5.250
   28   2HB   PRO   4           HB2      PRO   4   9.249  -7.793  -5.983
   29   1HG   PRO   4           HG1      PRO   4   8.249  -8.687  -3.540
   30   2HG   PRO   4           HG2      PRO   4  10.002  -8.480  -3.751
   31   1HD   PRO   4           HD1      PRO   4   8.173  -6.213  -2.663
   32   2HD   PRO   4           HD2      PRO   4   9.357  -7.136  -1.794
   33    H    TRP   5           H        TRP   5   7.475  -5.368  -6.001
   34    HA   TRP   5           HA       TRP   5   8.089  -2.675  -6.845
   35   1HB   TRP   5           HB1      TRP   5   5.812  -2.492  -7.834
   36   2HB   TRP   5           HB2      TRP   5   6.926  -3.675  -8.462
   37    HD1  TRP   5           HD1      TRP   5   6.318  -6.179  -8.480
   38    HE1  TRP   5           HE1      TRP   5   3.871  -7.179  -8.700
   39    HE3  TRP   5           HE3      TRP   5   3.210  -2.902  -6.005
   40    HZ2  TRP   5           HZ2      TRP   5   1.254  -6.078  -8.981
   41    HZ3  TRP   5           HZ3      TRP   5   1.161  -2.275  -7.021
   42    HH2  TRP   5           HH2      TRP   5   0.160  -3.790  -8.650
   43    H    TYR   6           H        TYR   6   5.273  -3.855  -5.148
   44    HA   TYR   6           HA       TYR   6   3.942  -1.825  -4.132
   45   1HB   TYR   6           HB1      TYR   6   4.249  -4.163  -2.154
   46   2HB   TYR   6           HB2      TYR   6   2.776  -3.537  -2.974
   47    HD1  TYR   6           HD1      TYR   6   5.784  -5.655  -3.100
   48    HD2  TYR   6           HD2      TYR   6   2.056  -4.788  -5.054
   49    HE1  TYR   6           HE1      TYR   6   5.955  -7.746  -4.512
   50    HE2  TYR   6           HE2      TYR   6   2.231  -6.858  -6.344
   51    HH   TYR   6           HH       TYR   6   4.714  -9.227  -5.896
   52    H    CYS   7           H        CYS   7   6.738  -3.108  -2.477
   53    HA   CYS   7           HA       CYS   7   6.382  -1.589  -0.170
   54   1HB   CYS   7           HB1      CYS   7   8.947  -3.078  -0.858
   55   2HB   CYS   7           HB2      CYS   7   8.092  -2.911   0.709
   56    H    LYS   8           H        LYS   8   7.906  -0.915  -3.214
   57    HA   LYS   8           HA       LYS   8   9.408   1.433  -2.155
   58   1HB   LYS   8           HB1      LYS   8  10.015  -0.457  -4.589
   59   2HB   LYS   8           HB2      LYS   8  10.959   1.023  -4.193
   60   1HG   LYS   8           HG1      LYS   8  11.832  -0.059  -2.161
   61   2HG   LYS   8           HG2      LYS   8  10.824  -1.517  -2.484
   62   1HD   LYS   8           HD1      LYS   8  11.937  -1.882  -4.653
   63   2HD   LYS   8           HD2      LYS   8  12.953  -0.414  -4.425
   64   1HE   LYS   8           HE1      LYS   8  13.074  -2.987  -2.718
   65   2HE   LYS   8           HE2      LYS   8  14.216  -2.526  -4.031
   66   1HZ   LYS   8           HZ1      LYS   8  14.799  -0.587  -2.752
   67   2HZ   LYS   8           HZ2      LYS   8  13.710  -1.021  -1.523
   68   3HZ   LYS   8           HZ3      LYS   8  15.048  -2.013  -1.862
   69    H    GLU   9           H        GLU   9   6.535   1.105  -2.876
   70    HA   GLU   9           HA       GLU   9   6.241   2.122  -5.569
   71   1HB   GLU   9           HB1      GLU   9   4.995   0.303  -4.922
   72   2HB   GLU   9           HB2      GLU   9   4.306   1.107  -3.496
   73   1HG   GLU   9           HG1      GLU   9   3.859   2.209  -6.369
   74   2HG   GLU   9           HG2      GLU   9   2.995   0.779  -5.856
   75    HA   PRO  10           HA       PRO  10   5.603   6.212  -3.728
   76   1HB   PRO  10           HB1      PRO  10   5.322   7.750  -5.988
   77   2HB   PRO  10           HB2      PRO  10   6.852   6.926  -5.525
   78   1HG   PRO  10           HG1      PRO  10   4.862   6.119  -7.607
   79   2HG   PRO  10           HG2      PRO  10   6.666   5.827  -7.605
   80   1HD   PRO  10           HD1      PRO  10   4.538   4.052  -6.802
   81   2HD   PRO  10           HD2      PRO  10   6.339   3.748  -6.669
   82    H    VAL  11           H        VAL  11   3.529   7.447  -2.968
   83    HA   VAL  11           HA       VAL  11   1.243   5.855  -3.622
   84    HB   VAL  11           HB       VAL  11   1.727   6.481  -1.381
   85   1HG1  VAL  11           HG11     VAL  11   2.042   8.989  -1.686
   86   2HG1  VAL  11           HG12     VAL  11   0.314   9.142  -2.150
   87   3HG1  VAL  11           HG13     VAL  11   0.748   8.577  -0.503
   88   1HG2  VAL  11           HG21     VAL  11  -1.109   6.805  -2.593
   89   2HG2  VAL  11           HG22     VAL  11  -0.273   5.286  -2.111
   90   3HG2  VAL  11           HG23     VAL  11  -0.725   6.508  -0.870
   91    H    ARG  12           H        ARG  12  -0.213   5.952  -4.889
   92    HA   ARG  12           HA       ARG  12  -0.758   8.127  -6.769
   93   1HB   ARG  12           HB1      ARG  12  -0.946   5.091  -6.882
   94   2HB   ARG  12           HB2      ARG  12  -2.199   5.975  -7.717
   95   1HG   ARG  12           HG1      ARG  12   0.221   7.314  -8.402
   96   2HG   ARG  12           HG2      ARG  12   0.717   5.647  -8.135
   97   1HD   ARG  12           HD1      ARG  12  -1.590   6.709  -9.905
   98   2HD   ARG  12           HD2      ARG  12   0.049   6.416 -10.591
   99    HE   ARG  12           HE       ARG  12  -1.935   4.335 -10.514
  100   1HH1  ARG  12           HH11     ARG  12   1.426   4.749  -9.775
  101   2HH1  ARG  12           HH12     ARG  12   1.867   3.293 -10.604
  102   1HH2  ARG  12           HH21     ARG  12  -1.374   2.492 -11.425
  103   2HH2  ARG  12           HH22     ARG  12   0.284   2.045 -11.546
  104    H    ILE  13           H        ILE  13  -2.703   9.406  -6.061
  105    HA   ILE  13           HA       ILE  13  -4.778   7.867  -4.687
  106    HB   ILE  13           HB       ILE  13  -4.047  10.057  -3.850
  107   1HG1  ILE  13           HG11     ILE  13  -7.028   9.663  -4.474
  108   2HG1  ILE  13           HG12     ILE  13  -6.075   8.607  -3.382
  109   1HG2  ILE  13           HG21     ILE  13  -4.217  11.440  -6.053
  110   2HG2  ILE  13           HG22     ILE  13  -5.999  11.153  -5.957
  111   3HG2  ILE  13           HG23     ILE  13  -5.146  12.073  -4.669
  112   1HD1  ILE  13           HD11     ILE  13  -6.475  11.623  -2.858
  113   2HD1  ILE  13           HD12     ILE  13  -7.480  10.297  -2.127
  114   3HD1  ILE  13           HD13     ILE  13  -5.699  10.365  -1.802
  115    H    GLY  14           H        GLY  14  -4.055   9.263  -7.783
  116   1HA   GLY  14           HA1      GLY  14  -5.030   8.667  -9.848
  117   2HA   GLY  14           HA2      GLY  14  -6.390   7.897  -8.991
  118    H    SER  15           H        SER  15  -7.707   9.667  -7.664
  119    HA   SER  15           HA       SER  15  -9.121  11.316  -7.652
  120   1HB   SER  15           HB1      SER  15  -8.935  13.521  -8.743
  121   2HB   SER  15           HB2      SER  15  -7.475  13.021  -7.838
  122    HG   SER  15           HG       SER  15  -6.863  12.206 -10.131
  123    H    CYS  16           H        CYS  16 -10.721   9.820  -8.196
  124    HA   CYS  16           HA       CYS  16 -11.810  10.126 -10.928
  125   1HB   CYS  16           HB1      CYS  16 -10.089   8.345 -10.936
  126   2HB   CYS  16           HB2      CYS  16 -10.894   7.476  -9.630
  127    H    LYS  17           H        LYS  17 -12.480   7.798  -8.382
  128    HA   LYS  17           HA       LYS  17 -15.327   8.193  -8.713
  129   1HB   LYS  17           HB1      LYS  17 -13.725   6.138  -7.027
  130   2HB   LYS  17           HB2      LYS  17 -15.489   6.047  -7.367
  131   1HG   LYS  17           HG1      LYS  17 -13.322   5.782  -9.527
  132   2HG   LYS  17           HG2      LYS  17 -14.068   4.494  -8.556
  133   1HD   LYS  17           HD1      LYS  17 -16.375   5.498  -9.349
  134   2HD   LYS  17           HD2      LYS  17 -15.406   6.395 -10.572
  135   1HE   LYS  17           HE1      LYS  17 -15.512   3.335 -10.134
  136   2HE   LYS  17           HE2      LYS  17 -16.390   4.231 -11.446
  137   1HZ   LYS  17           HZ1      LYS  17 -13.440   4.107 -11.081
  138   2HZ   LYS  17           HZ2      LYS  17 -14.352   3.252 -12.231
  139   3HZ   LYS  17           HZ3      LYS  17 -14.265   4.947 -12.306
  140    H    LYS  18           H        LYS  18 -14.413   7.017  -5.659
  141    HA   LYS  18           HA       LYS  18 -15.236   9.362  -4.088
  142   1HB   LYS  18           HB1      LYS  18 -17.153   7.772  -4.070
  143   2HB   LYS  18           HB2      LYS  18 -16.047   6.389  -3.965
  144   1HG   LYS  18           HG1      LYS  18 -17.078   6.486  -1.865
  145   2HG   LYS  18           HG2      LYS  18 -15.431   7.013  -1.583
  146   1HD   LYS  18           HD1      LYS  18 -17.044   8.281  -0.256
  147   2HD   LYS  18           HD2      LYS  18 -16.090   9.373  -1.301
  148   1HE   LYS  18           HE1      LYS  18 -18.987   8.473  -2.013
  149   2HE   LYS  18           HE2      LYS  18 -18.597   9.891  -0.965
  150   1HZ   LYS  18           HZ1      LYS  18 -17.321  10.840  -2.729
  151   2HZ   LYS  18           HZ2      LYS  18 -17.654   9.522  -3.746
  152   3HZ   LYS  18           HZ3      LYS  18 -18.917  10.532  -3.223
  153    H    GLN  19           H        GLN  19 -13.908   9.345  -2.066
  154    HA   GLN  19           HA       GLN  19 -11.357   7.963  -2.470
  155   1HB   GLN  19           HB1      GLN  19 -11.516   9.917  -0.173
  156   2HB   GLN  19           HB2      GLN  19 -10.254   9.647  -1.401
  157   1HG   GLN  19           HG1      GLN  19 -12.814  11.317  -1.675
  158   2HG   GLN  19           HG2      GLN  19 -11.117  11.876  -1.667
  159   1HE2  GLN  19           HE21     GLN  19 -12.809  11.224  -5.185
  160   2HE2  GLN  19           HE22     GLN  19 -13.605  11.707  -3.707
  161    H    PHE  20           H        PHE  20 -11.142   5.974  -1.585
  162    HA   PHE  20           HA       PHE  20 -12.837   5.213   0.734
  163   1HB   PHE  20           HB1      PHE  20 -11.356   3.540  -1.392
  164   2HB   PHE  20           HB2      PHE  20 -12.404   2.842  -0.108
  165    HD1  PHE  20           HD1      PHE  20 -14.910   4.030  -0.065
  166    HD2  PHE  20           HD2      PHE  20 -12.331   3.713  -3.537
  167    HE1  PHE  20           HE1      PHE  20 -16.859   3.960  -1.539
  168    HE2  PHE  20           HE2      PHE  20 -14.297   3.679  -4.977
  169    HZ   PHE  20           HZ       PHE  20 -16.573   3.787  -3.997
  170    H    SER  21           H        SER  21 -11.912   4.323   2.615
  171    HA   SER  21           HA       SER  21  -9.186   4.891   3.249
  172   1HB   SER  21           HB1      SER  21 -10.983   4.970   4.977
  173   2HB   SER  21           HB2      SER  21 -11.211   3.196   4.859
  174    HG   SER  21           HG       SER  21  -9.052   2.958   5.587
  175    H    SER  22           H        SER  22  -7.601   3.803   2.274
  176    HA   SER  22           HA       SER  22  -7.677   0.841   2.014
  177   1HB   SER  22           HB1      SER  22  -5.938   1.127   0.320
  178   2HB   SER  22           HB2      SER  22  -7.131   2.421   0.039
  179    HG   SER  22           HG       SER  22  -5.758   3.770   1.425
  180    H    PHE  23           H        PHE  23  -4.951   0.437   1.894
  181    HA   PHE  23           HA       PHE  23  -3.506   1.473   4.129
  182   1HB   PHE  23           HB1      PHE  23  -3.904  -1.539   3.808
  183   2HB   PHE  23           HB2      PHE  23  -2.726  -0.874   4.987
  184    HD1  PHE  23           HD1      PHE  23  -3.594   0.526   6.922
  185    HD2  PHE  23           HD2      PHE  23  -6.227  -1.722   4.387
  186    HE1  PHE  23           HE1      PHE  23  -5.399   0.730   8.611
  187    HE2  PHE  23           HE2      PHE  23  -8.049  -1.485   6.049
  188    HZ   PHE  23           HZ       PHE  23  -7.640  -0.255   8.173
  189    H    TYR  24           H        TYR  24  -1.483   1.716   3.546
  190    HA   TYR  24           HA       TYR  24  -0.445   0.233   1.179
  191   1HB   TYR  24           HB1      TYR  24   0.487   2.048   0.075
  192   2HB   TYR  24           HB2      TYR  24  -1.115   2.622   0.534
  193    HD1  TYR  24           HD1      TYR  24  -1.281   4.249   2.559
  194    HD2  TYR  24           HD2      TYR  24   2.481   3.273   0.719
  195    HE1  TYR  24           HE1      TYR  24  -0.288   6.311   3.484
  196    HE2  TYR  24           HE2      TYR  24   3.527   5.243   1.860
  197    HH   TYR  24           HH       TYR  24   3.091   7.261   2.819
  198    H    PHE  25           H        PHE  25   1.842  -0.248   1.151
  199    HA   PHE  25           HA       PHE  25   3.075  -0.328   3.814
  200   1HB   PHE  25           HB1      PHE  25   3.016  -2.374   2.040
  201   2HB   PHE  25           HB2      PHE  25   4.323  -1.514   1.222
  202    HD1  PHE  25           HD1      PHE  25   6.502  -1.082   2.529
  203    HD2  PHE  25           HD2      PHE  25   3.437  -3.731   4.099
  204    HE1  PHE  25           HE1      PHE  25   8.041  -2.016   4.243
  205    HE2  PHE  25           HE2      PHE  25   4.864  -4.472   5.784
  206    HZ   PHE  25           HZ       PHE  25   7.256  -3.639   5.881
  207    H    LYS  26           H        LYS  26   4.418   1.425   4.394
  208    HA   LYS  26           HA       LYS  26   5.139   3.309   2.299
  209   1HB   LYS  26           HB1      LYS  26   3.890   4.087   4.088
  210   2HB   LYS  26           HB2      LYS  26   4.870   3.196   5.292
  211   1HG   LYS  26           HG1      LYS  26   5.076   5.305   5.439
  212   2HG   LYS  26           HG2      LYS  26   6.764   4.787   5.005
  213   1HD   LYS  26           HD1      LYS  26   4.675   6.402   3.457
  214   2HD   LYS  26           HD2      LYS  26   6.190   7.042   4.204
  215   1HE   LYS  26           HE1      LYS  26   7.592   6.090   2.501
  216   2HE   LYS  26           HE2      LYS  26   6.242   5.004   1.983
  217   1HZ   LYS  26           HZ1      LYS  26   5.028   6.910   1.211
  218   2HZ   LYS  26           HZ2      LYS  26   6.267   7.960   1.709
  219   3HZ   LYS  26           HZ3      LYS  26   6.553   6.838   0.466
  220    H    TRP  27           H        TRP  27   7.109   2.994   1.334
  221    HA   TRP  27           HA       TRP  27   9.071   1.274   1.965
  222   1HB   TRP  27           HB1      TRP  27   8.723   2.160  -0.233
  223   2HB   TRP  27           HB2      TRP  27   8.894   3.792   0.210
  224    HD1  TRP  27           HD1      TRP  27  10.976   4.875  -0.636
  225    HE1  TRP  27           HE1      TRP  27  13.487   4.185  -0.910
  226    HE3  TRP  27           HE3      TRP  27  10.587   0.119   0.912
  227    HZ2  TRP  27           HZ2      TRP  27  15.085   1.902  -0.311
  228    HZ3  TRP  27           HZ3      TRP  27  12.589  -1.276   1.209
  229    HH2  TRP  27           HH2      TRP  27  14.835  -0.416   0.577
  230    H    THR  28           H        THR  28   9.116   4.731   2.918
  231    HA   THR  28           HA       THR  28  11.720   4.434   4.146
  232    HB   THR  28           HB       THR  28  11.473   6.895   4.743
  233    HG1  THR  28           HG1      THR  28   9.966   7.953   3.429
  234   1HG2  THR  28           HG21     THR  28  12.763   5.968   2.796
  235   2HG2  THR  28           HG22     THR  28  11.272   5.991   1.792
  236   3HG2  THR  28           HG23     THR  28  11.982   7.534   2.393
  237    H    ALA  29           H        ALA  29   8.670   3.601   5.231
  238    HA   ALA  29           HA       ALA  29   9.273   4.221   8.073
  239   1HB   ALA  29           HB1      ALA  29   6.699   3.207   6.704
  240   2HB   ALA  29           HB2      ALA  29   6.872   3.576   8.476
  241   3HB   ALA  29           HB3      ALA  29   7.057   4.872   7.249
  242    H    LYS  30           H        LYS  30   8.516   1.464   5.938
  243    HA   LYS  30           HA       LYS  30   9.028  -0.659   5.953
  244   1HB   LYS  30           HB1      LYS  30  10.621  -0.259   8.475
  245   2HB   LYS  30           HB2      LYS  30  10.351  -1.886   7.785
  246   1HG   LYS  30           HG1      LYS  30  11.490   0.390   6.078
  247   2HG   LYS  30           HG2      LYS  30  12.474  -0.711   7.091
  248   1HD   LYS  30           HD1      LYS  30  11.623  -2.701   5.913
  249   2HD   LYS  30           HD2      LYS  30  10.584  -1.670   4.864
  250   1HE   LYS  30           HE1      LYS  30  12.572  -0.610   3.836
  251   2HE   LYS  30           HE2      LYS  30  13.662  -1.556   4.930
  252   1HZ   LYS  30           HZ1      LYS  30  12.786  -3.582   3.979
  253   2HZ   LYS  30           HZ2      LYS  30  11.761  -2.703   2.948
  254   3HZ   LYS  30           HZ3      LYS  30  13.445  -2.578   2.777
  255    H    LYS  31           H        LYS  31   6.693   0.674   7.096
  256    HA   LYS  31           HA       LYS  31   5.244  -1.620   8.005
  257   1HB   LYS  31           HB1      LYS  31   6.033   0.648   9.756
  258   2HB   LYS  31           HB2      LYS  31   4.275   0.495   9.798
  259   1HG   LYS  31           HG1      LYS  31   6.341  -1.681  10.414
  260   2HG   LYS  31           HG2      LYS  31   5.393  -0.753  11.620
  261   1HD   LYS  31           HD1      LYS  31   4.158  -2.742   9.569
  262   2HD   LYS  31           HD2      LYS  31   4.662  -3.128  11.230
  263   1HE   LYS  31           HE1      LYS  31   2.304  -2.887  11.327
  264   2HE   LYS  31           HE2      LYS  31   2.993  -1.426  12.141
  265   1HZ   LYS  31           HZ1      LYS  31   1.968  -1.594   9.351
  266   2HZ   LYS  31           HZ2      LYS  31   1.177  -0.902  10.685
  267   3HZ   LYS  31           HZ3      LYS  31   2.612  -0.210  10.093
  268    H    CYS  32           H        CYS  32   2.786  -0.714   8.370
  269    HA   CYS  32           HA       CYS  32   2.022   0.200   5.708
  270   1HB   CYS  32           HB1      CYS  32   0.639  -1.496   7.892
  271   2HB   CYS  32           HB2      CYS  32  -0.070  -1.200   6.253
  272    H    LEU  33           H        LEU  33   0.784   2.060   5.358
  273    HA   LEU  33           HA       LEU  33  -0.479   3.300   7.777
  274   1HB   LEU  33           HB1      LEU  33   0.643   4.756   5.335
  275   2HB   LEU  33           HB2      LEU  33  -0.066   5.523   6.789
  276    HG   LEU  33           HG       LEU  33   2.542   3.891   6.679
  277   1HD1  LEU  33           HD11     LEU  33   2.000   6.903   6.875
  278   2HD1  LEU  33           HD12     LEU  33   3.609   6.121   7.063
  279   3HD1  LEU  33           HD13     LEU  33   2.725   6.011   5.492
  280   1HD2  LEU  33           HD21     LEU  33   1.266   5.489   9.008
  281   2HD2  LEU  33           HD22     LEU  33   1.483   3.699   8.953
  282   3HD2  LEU  33           HD23     LEU  33   2.918   4.774   8.995
  283    HA   PRO  34           HA       PRO  34  -4.177   3.060   5.027
  284   1HB   PRO  34           HB1      PRO  34  -6.057   4.320   6.597
  285   2HB   PRO  34           HB2      PRO  34  -5.268   2.796   7.112
  286   1HG   PRO  34           HG1      PRO  34  -4.525   5.635   7.974
  287   2HG   PRO  34           HG2      PRO  34  -4.784   4.191   9.034
  288   1HD   PRO  34           HD1      PRO  34  -2.248   5.107   8.030
  289   2HD   PRO  34           HD2      PRO  34  -2.605   3.388   8.545
  290    H    PHE  35           H        PHE  35  -3.990   4.094   3.096
  291    HA   PHE  35           HA       PHE  35  -4.318   7.092   3.248
  292   1HB   PHE  35           HB1      PHE  35  -3.240   7.620   1.378
  293   2HB   PHE  35           HB2      PHE  35  -2.217   6.304   2.010
  294    HD1  PHE  35           HD1      PHE  35  -2.870   3.853   0.976
  295    HD2  PHE  35           HD2      PHE  35  -3.857   7.624  -0.971
  296    HE1  PHE  35           HE1      PHE  35  -3.115   2.736  -1.126
  297    HE2  PHE  35           HE2      PHE  35  -4.108   6.380  -3.099
  298    HZ   PHE  35           HZ       PHE  35  -4.012   3.936  -3.095
  299    H    LEU  36           H        LEU  36  -5.605   8.061   1.415
  300    HA   LEU  36           HA       LEU  36  -8.143   6.603   1.095
  301   1HB   LEU  36           HB1      LEU  36  -7.297   9.535   0.693
  302   2HB   LEU  36           HB2      LEU  36  -8.890   8.923   0.150
  303    HG   LEU  36           HG       LEU  36  -7.950   8.826   3.056
  304   1HD1  LEU  36           HD11     LEU  36  -8.167  11.164   2.233
  305   2HD1  LEU  36           HD12     LEU  36  -9.803  10.797   1.565
  306   3HD1  LEU  36           HD13     LEU  36  -9.520  10.765   3.358
  307   1HD2  LEU  36           HD21     LEU  36 -10.717   8.344   1.745
  308   2HD2  LEU  36           HD22     LEU  36  -9.681   7.114   2.568
  309   3HD2  LEU  36           HD23     LEU  36 -10.402   8.456   3.515
  310    H    PHE  37           H        PHE  37  -8.511   5.556  -0.836
  311    HA   PHE  37           HA       PHE  37  -6.911   6.335  -3.224
  312   1HB   PHE  37           HB1      PHE  37  -6.175   4.251  -2.660
  313   2HB   PHE  37           HB2      PHE  37  -7.681   3.701  -1.934
  314    HD1  PHE  37           HD1      PHE  37  -5.990   4.124  -5.386
  315    HD2  PHE  37           HD2      PHE  37  -9.380   2.654  -3.112
  316    HE1  PHE  37           HE1      PHE  37  -6.646   2.658  -7.242
  317    HE2  PHE  37           HE2      PHE  37 -10.060   1.272  -5.033
  318    HZ   PHE  37           HZ       PHE  37  -8.617   1.192  -7.063
  319    H    SER  38           H        SER  38  -7.981   6.916  -5.131
  320    HA   SER  38           HA       SER  38 -10.817   7.467  -4.925
  321   1HB   SER  38           HB1      SER  38  -8.820   9.004  -5.692
  322   2HB   SER  38           HB2      SER  38  -9.104   8.288  -7.310
  323    HG   SER  38           HG       SER  38 -10.771   9.848  -5.598
  324    H    GLY  39           H        GLY  39  -9.522   4.554  -5.889
  325   1HA   GLY  39           HA1      GLY  39 -10.791   2.927  -6.763
  326   2HA   GLY  39           HA2      GLY  39 -11.949   3.998  -7.350
  327    H    CYS  40           H        CYS  40 -10.113   5.388  -9.237
  328    HA   CYS  40           HA       CYS  40  -9.106   3.208 -10.940
  329   1HB   CYS  40           HB1      CYS  40 -10.090   3.861 -12.866
  330   2HB   CYS  40           HB2      CYS  40 -11.396   4.190 -11.722
  331    H    GLY  41           H        GLY  41  -7.120   3.706 -12.007
  332   1HA   GLY  41           HA1      GLY  41  -5.439   5.405 -12.592
  333   2HA   GLY  41           HA2      GLY  41  -5.726   6.158 -11.006
  334    H    GLY  42           H        GLY  42  -5.781   3.837  -9.436
  335   1HA   GLY  42           HA1      GLY  42  -3.085   3.576  -8.748
  336   2HA   GLY  42           HA2      GLY  42  -4.470   2.676  -8.098
  337    H    ASN  43           H        ASN  43  -2.574   1.310  -7.612
  338    HA   ASN  43           HA       ASN  43  -2.241  -0.736  -9.737
  339   1HB   ASN  43           HB1      ASN  43   0.134  -1.152  -8.983
  340   2HB   ASN  43           HB2      ASN  43  -0.167   0.396  -9.786
  341   1HD2  ASN  43           HD21     ASN  43   0.993   2.365  -7.110
  342   2HD2  ASN  43           HD22     ASN  43   0.353   2.381  -8.742
  343    H    ALA  44           H        ALA  44  -0.610  -1.598  -6.856
  344    HA   ALA  44           HA       ALA  44  -2.991  -2.830  -5.665
  345   1HB   ALA  44           HB1      ALA  44  -2.254  -4.582  -7.316
  346   2HB   ALA  44           HB2      ALA  44  -0.733  -4.778  -6.328
  347   3HB   ALA  44           HB3      ALA  44  -2.336  -5.078  -5.606
  348    H    ASN  45           H        ASN  45  -0.736  -0.759  -4.975
  349    HA   ASN  45           HA       ASN  45   0.178  -2.026  -2.494
  350   1HB   ASN  45           HB1      ASN  45   1.725  -0.515  -3.672
  351   2HB   ASN  45           HB2      ASN  45   0.648   0.877  -3.315
  352   1HD2  ASN  45           HD21     ASN  45   3.155   1.105  -0.630
  353   2HD2  ASN  45           HD22     ASN  45   2.736   1.677  -2.220
  354    H    ARG  46           H        ARG  46  -2.781  -1.794  -2.858
  355    HA   ARG  46           HA       ARG  46  -3.629  -0.143  -0.640
  356   1HB   ARG  46           HB1      ARG  46  -5.715   0.564  -1.807
  357   2HB   ARG  46           HB2      ARG  46  -4.251   1.404  -2.351
  358   1HG   ARG  46           HG1      ARG  46  -5.606  -1.002  -3.735
  359   2HG   ARG  46           HG2      ARG  46  -6.098   0.693  -4.041
  360   1HD   ARG  46           HD1      ARG  46  -3.320  -0.471  -4.700
  361   2HD   ARG  46           HD2      ARG  46  -4.657  -0.225  -5.865
  362    HE   ARG  46           HE       ARG  46  -4.651   2.191  -5.345
  363   1HH1  ARG  46           HH11     ARG  46  -1.477   0.828  -4.575
  364   2HH1  ARG  46           HH12     ARG  46  -0.680   2.079  -5.451
  365   1HH2  ARG  46           HH21     ARG  46  -3.326   4.008  -5.802
  366   2HH2  ARG  46           HH22     ARG  46  -1.669   3.695  -6.119
  367    H    PHE  47           H        PHE  47  -3.853  -1.525   0.588
  368    HA   PHE  47           HA       PHE  47  -4.830  -4.227  -0.003
  369   1HB   PHE  47           HB1      PHE  47  -3.680  -2.878   2.483
  370   2HB   PHE  47           HB2      PHE  47  -3.777  -4.586   2.411
  371    HD1  PHE  47           HD1      PHE  47  -2.712  -5.165  -0.469
  372    HD2  PHE  47           HD2      PHE  47  -1.386  -2.219   2.437
  373    HE1  PHE  47           HE1      PHE  47  -0.538  -4.951  -1.588
  374    HE2  PHE  47           HE2      PHE  47   0.745  -2.128   1.319
  375    HZ   PHE  47           HZ       PHE  47   1.185  -3.446  -0.719
  376    H    GLN  48           H        GLN  48  -6.448  -5.345   1.193
  377    HA   GLN  48           HA       GLN  48  -8.750  -3.802   1.819
  378   1HB   GLN  48           HB1      GLN  48  -9.938  -5.582   1.482
  379   2HB   GLN  48           HB2      GLN  48  -8.466  -6.291   0.799
  380   1HG   GLN  48           HG1      GLN  48  -9.684  -6.802   3.634
  381   2HG   GLN  48           HG2      GLN  48  -9.938  -7.788   2.183
  382   1HE2  GLN  48           HE21     GLN  48  -7.170  -9.857   2.938
  383   2HE2  GLN  48           HE22     GLN  48  -8.770  -9.736   2.243
  384    H    THR  49           H        THR  49  -6.487  -5.493   3.903
  385    HA   THR  49           HA       THR  49  -7.332  -3.934   6.222
  386    HB   THR  49           HB       THR  49  -7.094  -5.857   7.766
  387    HG1  THR  49           HG1      THR  49  -6.917  -7.419   5.361
  388   1HG2  THR  49           HG21     THR  49  -9.356  -5.223   6.928
  389   2HG2  THR  49           HG22     THR  49  -9.192  -6.374   5.570
  390   3HG2  THR  49           HG23     THR  49  -9.227  -6.993   7.258
  391    H    ILE  50           H        ILE  50  -5.523  -3.911   7.830
  392    HA   ILE  50           HA       ILE  50  -3.030  -3.411   6.659
  393    HB   ILE  50           HB       ILE  50  -4.062  -2.160   8.399
  394   1HG1  ILE  50           HG11     ILE  50  -1.422  -3.259   9.482
  395   2HG1  ILE  50           HG12     ILE  50  -1.558  -2.212   8.023
  396   1HG2  ILE  50           HG21     ILE  50  -5.170  -4.062   9.696
  397   2HG2  ILE  50           HG22     ILE  50  -3.544  -4.541  10.306
  398   3HG2  ILE  50           HG23     ILE  50  -4.239  -2.945  10.738
  399   1HD1  ILE  50           HD11     ILE  50  -2.662  -0.412   9.369
  400   2HD1  ILE  50           HD12     ILE  50  -2.505  -1.427  10.855
  401   3HD1  ILE  50           HD13     ILE  50  -1.032  -0.821  10.013
  402    H    GLY  51           H        GLY  51  -4.241  -6.462   7.583
  403   1HA   GLY  51           HA1      GLY  51  -1.607  -7.675   8.092
  404   2HA   GLY  51           HA2      GLY  51  -3.218  -8.445   8.118
  405    H    GLU  52           H        GLU  52  -3.454  -6.889   5.320
  406    HA   GLU  52           HA       GLU  52  -2.382  -9.099   3.685
  407   1HB   GLU  52           HB1      GLU  52  -4.666  -8.661   3.359
  408   2HB   GLU  52           HB2      GLU  52  -4.437  -6.895   3.282
  409   1HG   GLU  52           HG1      GLU  52  -3.663  -6.874   1.082
  410   2HG   GLU  52           HG2      GLU  52  -3.236  -8.616   0.979
  411    H    CYS  53           H        CYS  53  -1.497  -5.987   4.662
  412    HA   CYS  53           HA       CYS  53  -0.155  -4.894   2.471
  413   1HB   CYS  53           HB1      CYS  53  -1.059  -3.760   4.649
  414   2HB   CYS  53           HB2      CYS  53   0.172  -4.625   5.547
  415    H    ARG  54           H        ARG  54   0.811  -6.775   5.026
  416    HA   ARG  54           HA       ARG  54   3.667  -7.097   4.949
  417   1HB   ARG  54           HB1      ARG  54   1.192  -8.342   6.248
  418   2HB   ARG  54           HB2      ARG  54   2.816  -8.946   6.673
  419   1HG   ARG  54           HG1      ARG  54   3.488  -7.052   7.765
  420   2HG   ARG  54           HG2      ARG  54   2.377  -5.949   6.900
  421   1HD   ARG  54           HD1      ARG  54   1.880  -6.484   9.379
  422   2HD   ARG  54           HD2      ARG  54   0.538  -6.486   8.149
  423    HE   ARG  54           HE       ARG  54   1.308  -9.170   8.174
  424   1HH1  ARG  54           HH11     ARG  54   0.068  -7.038  10.666
  425   2HH1  ARG  54           HH12     ARG  54  -0.475  -8.371  11.648
  426   1HH2  ARG  54           HH21     ARG  54   0.825 -10.787   9.584
  427   2HH2  ARG  54           HH22     ARG  54  -0.093 -10.437  11.005
  428    H    LYS  55           H        LYS  55   1.100  -8.814   3.225
  429    HA   LYS  55           HA       LYS  55   2.712 -11.222   2.798
  430   1HB   LYS  55           HB1      LYS  55  -0.047 -10.408   1.728
  431   2HB   LYS  55           HB2      LYS  55   0.754 -11.992   1.384
  432   1HG   LYS  55           HG1      LYS  55   0.870 -12.485   3.836
  433   2HG   LYS  55           HG2      LYS  55  -0.169 -11.079   4.185
  434   1HD   LYS  55           HD1      LYS  55  -0.864 -13.593   2.581
  435   2HD   LYS  55           HD2      LYS  55  -1.481 -13.041   4.178
  436   1HE   LYS  55           HE1      LYS  55  -2.577 -11.057   2.979
  437   2HE   LYS  55           HE2      LYS  55  -2.074 -11.777   1.395
  438   1HZ   LYS  55           HZ1      LYS  55  -3.836 -13.035   3.437
  439   2HZ   LYS  55           HZ2      LYS  55  -4.323 -12.322   1.975
  440   3HZ   LYS  55           HZ3      LYS  55  -3.370 -13.727   1.959
  441    H    LYS  56           H        LYS  56   2.344  -8.208   1.043
  442    HA   LYS  56           HA       LYS  56   3.700  -9.268  -1.349
  443   1HB   LYS  56           HB1      LYS  56   1.942  -6.876  -0.733
  444   2HB   LYS  56           HB2      LYS  56   3.200  -6.632  -1.978
  445   1HG   LYS  56           HG1      LYS  56   2.546  -8.491  -3.252
  446   2HG   LYS  56           HG2      LYS  56   1.239  -8.948  -2.121
  447   1HD   LYS  56           HD1      LYS  56   1.154  -6.079  -3.368
  448   2HD   LYS  56           HD2      LYS  56   0.813  -7.473  -4.406
  449   1HE   LYS  56           HE1      LYS  56  -0.738  -7.264  -1.705
  450   2HE   LYS  56           HE2      LYS  56  -1.318  -6.573  -3.279
  451   1HZ   LYS  56           HZ1      LYS  56  -1.167  -8.763  -4.230
  452   2HZ   LYS  56           HZ2      LYS  56  -0.599  -9.406  -2.764
  453   3HZ   LYS  56           HZ3      LYS  56  -2.164  -8.752  -2.855
  454    H    CYS  57           H        CYS  57   4.093  -7.264   1.546
  455    HA   CYS  57           HA       CYS  57   6.855  -6.481   0.702
  456   1HB   CYS  57           HB1      CYS  57   4.674  -5.026   2.264
  457   2HB   CYS  57           HB2      CYS  57   6.356  -4.383   2.175
  458    H    LEU  58           H        LEU  58   5.726  -8.672   3.208
  459    HA   LEU  58           HA       LEU  58   8.295  -7.853   4.451
  460   1HB   LEU  58           HB1      LEU  58   5.772  -8.133   6.005
  461   2HB   LEU  58           HB2      LEU  58   7.341  -8.607   6.757
  462    HG   LEU  58           HG       LEU  58   6.804  -5.899   5.584
  463   1HD1  LEU  58           HD11     LEU  58   5.522  -6.385   7.765
  464   2HD1  LEU  58           HD12     LEU  58   7.083  -6.825   8.539
  465   3HD1  LEU  58           HD13     LEU  58   6.812  -5.134   8.007
  466   1HD2  LEU  58           HD21     LEU  58   9.271  -6.984   7.048
  467   2HD2  LEU  58           HD22     LEU  58   9.189  -6.249   5.398
  468   3HD2  LEU  58           HD23     LEU  58   8.905  -5.232   6.835
  469    H    GLY  59           H        GLY  59   6.592 -10.332   2.976
  470   1HA   GLY  59           HA1      GLY  59   6.905 -12.436   2.591
  471   2HA   GLY  59           HA2      GLY  59   8.506 -12.358   3.445
  472    H    LYS  60           H        LYS  60   5.052 -12.013   4.378
  473    HA   LYS  60           HA       LYS  60   5.234 -14.234   6.230
  474   1HB   LYS  60           HB1      LYS  60   4.165 -12.571   7.981
  475   2HB   LYS  60           HB2      LYS  60   5.952 -12.481   7.786
  476   1HG   LYS  60           HG1      LYS  60   5.778 -10.430   6.379
  477   2HG   LYS  60           HG2      LYS  60   4.021 -10.533   6.401
  478   1HD   LYS  60           HD1      LYS  60   4.658  -8.877   7.980
  479   2HD   LYS  60           HD2      LYS  60   3.998 -10.281   8.905
  480   1HE   LYS  60           HE1      LYS  60   6.343 -10.954   9.523
  481   2HE   LYS  60           HE2      LYS  60   6.975  -9.550   8.581
  482   1HZ   LYS  60           HZ1      LYS  60   5.724  -8.086  10.004
  483   2HZ   LYS  60           HZ2      LYS  60   5.117  -9.399  10.894
  484   3HZ   LYS  60           HZ3      LYS  60   6.782  -9.060  10.908
   
  No H/Q in entry =         484
  Start of MODEL    9
    1    H    TRP   1           H        TRP   1  13.418 -12.814   3.958
    2    HA   TRP   1           HA       TRP   1  11.860 -12.175   1.716
    3   1HB   TRP   1           HB1      TRP   1  10.001 -11.723   3.406
    4   2HB   TRP   1           HB2      TRP   1  11.146 -10.799   4.392
    5    HD1  TRP   1           HD1      TRP   1   9.168 -10.420   0.902
    6    HE1  TRP   1           HE1      TRP   1   8.892  -8.032   0.502
    7    HE3  TRP   1           HE3      TRP   1  12.113  -8.633   4.735
    8    HZ2  TRP   1           HZ2      TRP   1   9.993  -5.597   1.398
    9    HZ3  TRP   1           HZ3      TRP   1  12.430  -6.166   4.861
   10    HH2  TRP   1           HH2      TRP   1  11.321  -4.682   3.128
   11    H    GLN   2           H        GLN   2  12.607 -10.252   0.698
   12    HA   GLN   2           HA       GLN   2  14.479  -8.442   1.868
   13   1HB   GLN   2           HB1      GLN   2  15.185 -10.149  -0.630
   14   2HB   GLN   2           HB2      GLN   2  15.992  -8.596  -0.243
   15   1HG   GLN   2           HG1      GLN   2  16.155 -11.161   1.481
   16   2HG   GLN   2           HG2      GLN   2  17.413 -10.499   0.383
   17   1HE2  GLN   2           HE21     GLN   2  16.904  -8.767   4.064
   18   2HE2  GLN   2           HE22     GLN   2  15.654  -9.857   3.464
   19    HA   PRO   3           HA       PRO   3  11.341  -6.480  -0.205
   20   1HB   PRO   3           HB1      PRO   3  12.589  -3.932  -0.975
   21   2HB   PRO   3           HB2      PRO   3  11.538  -4.394   0.420
   22   1HG   PRO   3           HG1      PRO   3  14.454  -3.926   0.558
   23   2HG   PRO   3           HG2      PRO   3  13.426  -4.724   1.804
   24   1HD   PRO   3           HD1      PRO   3  15.128  -5.919  -0.410
   25   2HD   PRO   3           HD2      PRO   3  14.928  -6.461   1.314
   26    HA   PRO   4           HA       PRO   4  11.783  -7.203  -4.675
   27   1HB   PRO   4           HB1      PRO   4   8.899  -8.146  -4.487
   28   2HB   PRO   4           HB2      PRO   4  10.383  -9.055  -4.948
   29   1HG   PRO   4           HG1      PRO   4   9.323  -9.613  -2.461
   30   2HG   PRO   4           HG2      PRO   4  11.038  -9.273  -2.612
   31   1HD   PRO   4           HD1      PRO   4   9.058  -6.894  -2.047
   32   2HD   PRO   4           HD2      PRO   4  10.130  -7.594  -0.955
   33    H    TRP   5           H        TRP   5   8.430  -6.531  -5.220
   34    HA   TRP   5           HA       TRP   5   9.134  -3.999  -6.481
   35   1HB   TRP   5           HB1      TRP   5   6.907  -4.030  -7.653
   36   2HB   TRP   5           HB2      TRP   5   8.110  -5.258  -8.029
   37    HD1  TRP   5           HD1      TRP   5   7.554  -7.759  -7.711
   38    HE1  TRP   5           HE1      TRP   5   5.181  -8.954  -7.838
   39    HE3  TRP   5           HE3      TRP   5   4.312  -4.094  -6.096
   40    HZ2  TRP   5           HZ2      TRP   5   2.487  -8.162  -8.067
   41    HZ3  TRP   5           HZ3      TRP   5   2.132  -4.139  -6.554
   42    HH2  TRP   5           HH2      TRP   5   1.073  -6.158  -7.526
   43    H    TYR   6           H        TYR   6   6.219  -4.903  -4.787
   44    HA   TYR   6           HA       TYR   6   4.736  -2.849  -4.314
   45   1HB   TYR   6           HB1      TYR   6   4.985  -4.629  -1.842
   46   2HB   TYR   6           HB2      TYR   6   3.578  -4.321  -2.914
   47    HD1  TYR   6           HD1      TYR   6   6.751  -6.113  -2.378
   48    HD2  TYR   6           HD2      TYR   6   3.129  -6.071  -4.665
   49    HE1  TYR   6           HE1      TYR   6   7.119  -8.467  -3.136
   50    HE2  TYR   6           HE2      TYR   6   3.472  -8.405  -5.309
   51    HH   TYR   6           HH       TYR   6   4.727 -10.250  -5.056
   52    H    CYS   7           H        CYS   7   7.380  -3.442  -1.943
   53    HA   CYS   7           HA       CYS   7   6.670  -1.579  -0.189
   54   1HB   CYS   7           HB1      CYS   7   9.610  -2.315  -0.669
   55   2HB   CYS   7           HB2      CYS   7   8.721  -2.076   0.876
   56    H    LYS   8           H        LYS   8   8.701  -1.143  -3.089
   57    HA   LYS   8           HA       LYS   8   9.037   1.751  -2.608
   58   1HB   LYS   8           HB1      LYS   8  10.341  -0.191  -4.645
   59   2HB   LYS   8           HB2      LYS   8  10.778   1.542  -4.423
   60   1HG   LYS   8           HG1      LYS   8  11.803   1.072  -2.288
   61   2HG   LYS   8           HG2      LYS   8  11.084  -0.569  -2.213
   62   1HD   LYS   8           HD1      LYS   8  13.324  -0.927  -2.819
   63   2HD   LYS   8           HD2      LYS   8  12.333  -1.224  -4.289
   64   1HE   LYS   8           HE1      LYS   8  14.428   0.029  -4.862
   65   2HE   LYS   8           HE2      LYS   8  13.007   1.107  -5.146
   66   1HZ   LYS   8           HZ1      LYS   8  14.770   1.106  -2.749
   67   2HZ   LYS   8           HZ2      LYS   8  14.781   2.232  -4.021
   68   3HZ   LYS   8           HZ3      LYS   8  13.430   2.115  -2.998
   69    H    GLU   9           H        GLU   9   6.393   0.179  -3.726
   70    HA   GLU   9           HA       GLU   9   6.480   0.918  -6.535
   71   1HB   GLU   9           HB1      GLU   9   5.706  -1.237  -5.786
   72   2HB   GLU   9           HB2      GLU   9   4.292  -0.500  -5.014
   73   1HG   GLU   9           HG1      GLU   9   4.603   0.345  -7.934
   74   2HG   GLU   9           HG2      GLU   9   4.681  -1.466  -7.726
   75    HA   PRO  10           HA       PRO  10   5.028   4.897  -5.348
   76   1HB   PRO  10           HB1      PRO  10   3.945   5.105  -8.221
   77   2HB   PRO  10           HB2      PRO  10   4.873   6.341  -7.279
   78   1HG   PRO  10           HG1      PRO  10   6.195   4.775  -9.041
   79   2HG   PRO  10           HG2      PRO  10   6.894   4.941  -7.382
   80   1HD   PRO  10           HD1      PRO  10   5.089   2.664  -8.415
   81   2HD   PRO  10           HD2      PRO  10   6.699   2.545  -7.567
   82    H    VAL  11           H        VAL  11   3.386   5.598  -4.020
   83    HA   VAL  11           HA       VAL  11   0.730   4.554  -4.397
   84    HB   VAL  11           HB       VAL  11   1.591   4.268  -2.239
   85   1HG1  VAL  11           HG11     VAL  11   1.719   7.354  -2.020
   86   2HG1  VAL  11           HG12     VAL  11   1.851   6.198  -0.669
   87   3HG1  VAL  11           HG13     VAL  11   3.110   6.210  -1.955
   88   1HG2  VAL  11           HG21     VAL  11  -0.868   4.534  -2.765
   89   2HG2  VAL  11           HG22     VAL  11  -0.476   5.057  -1.085
   90   3HG2  VAL  11           HG23     VAL  11  -0.808   6.269  -2.369
   91    H    ARG  12           H        ARG  12  -0.879   5.485  -5.130
   92    HA   ARG  12           HA       ARG  12  -1.009   8.382  -5.763
   93   1HB   ARG  12           HB1      ARG  12  -1.570   6.031  -7.586
   94   2HB   ARG  12           HB2      ARG  12  -2.265   7.580  -7.730
   95   1HG   ARG  12           HG1      ARG  12   0.427   8.324  -7.453
   96   2HG   ARG  12           HG2      ARG  12   0.645   6.594  -7.783
   97   1HD   ARG  12           HD1      ARG  12  -0.761   7.030  -9.947
   98   2HD   ARG  12           HD2      ARG  12  -0.802   8.755  -9.412
   99    HE   ARG  12           HE       ARG  12   1.714   8.915  -9.845
  100   1HH1  ARG  12           HH11     ARG  12   0.293   5.979 -11.040
  101   2HH1  ARG  12           HH12     ARG  12   1.388   5.913 -12.415
  102   1HH2  ARG  12           HH21     ARG  12   3.250   8.598 -11.325
  103   2HH2  ARG  12           HH22     ARG  12   3.106   7.346 -12.497
  104    H    ILE  13           H        ILE  13  -2.967   9.255  -5.161
  105    HA   ILE  13           HA       ILE  13  -5.245   7.640  -4.350
  106    HB   ILE  13           HB       ILE  13  -4.313   9.330  -2.831
  107   1HG1  ILE  13           HG11     ILE  13  -7.258   9.498  -3.695
  108   2HG1  ILE  13           HG12     ILE  13  -6.463   8.228  -2.733
  109   1HG2  ILE  13           HG21     ILE  13  -4.030  11.379  -4.379
  110   2HG2  ILE  13           HG22     ILE  13  -5.845  11.356  -4.564
  111   3HG2  ILE  13           HG23     ILE  13  -5.071  11.618  -2.971
  112   1HD1  ILE  13           HD11     ILE  13  -6.104   9.963  -0.888
  113   2HD1  ILE  13           HD12     ILE  13  -6.950  11.193  -1.918
  114   3HD1  ILE  13           HD13     ILE  13  -7.853   9.757  -1.296
  115    H    GLY  14           H        GLY  14  -4.348   9.994  -6.739
  116   1HA   GLY  14           HA1      GLY  14  -5.343  10.954  -8.584
  117   2HA   GLY  14           HA2      GLY  14  -6.179   9.399  -8.733
  118    H    SER  15           H        SER  15  -8.418  10.090  -9.366
  119    HA   SER  15           HA       SER  15 -10.107  11.226  -7.502
  120   1HB   SER  15           HB1      SER  15  -9.175  13.060  -9.813
  121   2HB   SER  15           HB2      SER  15 -10.780  13.257  -9.015
  122    HG   SER  15           HG       SER  15  -8.447  13.088  -7.427
  123    H    CYS  16           H        CYS  16 -12.127  10.315  -8.274
  124    HA   CYS  16           HA       CYS  16 -12.517   9.619 -11.010
  125   1HB   CYS  16           HB1      CYS  16 -10.715   7.925 -10.386
  126   2HB   CYS  16           HB2      CYS  16 -11.799   7.265  -9.158
  127    H    LYS  17           H        LYS  17 -13.288   8.185  -7.850
  128    HA   LYS  17           HA       LYS  17 -16.198   8.530  -8.425
  129   1HB   LYS  17           HB1      LYS  17 -14.646   6.269  -7.030
  130   2HB   LYS  17           HB2      LYS  17 -16.429   6.409  -6.903
  131   1HG   LYS  17           HG1      LYS  17 -14.773   6.014  -9.470
  132   2HG   LYS  17           HG2      LYS  17 -15.641   4.738  -8.563
  133   1HD   LYS  17           HD1      LYS  17 -16.959   7.140 -10.006
  134   2HD   LYS  17           HD2      LYS  17 -16.853   5.447 -10.589
  135   1HE   LYS  17           HE1      LYS  17 -18.249   4.686  -8.619
  136   2HE   LYS  17           HE2      LYS  17 -18.430   6.412  -8.096
  137   1HZ   LYS  17           HZ1      LYS  17 -19.270   5.286 -10.706
  138   2HZ   LYS  17           HZ2      LYS  17 -20.274   5.679  -9.394
  139   3HZ   LYS  17           HZ3      LYS  17 -19.426   6.903 -10.210
  140    H    LYS  18           H        LYS  18 -14.716   7.456  -5.410
  141    HA   LYS  18           HA       LYS  18 -15.117   9.956  -4.036
  142   1HB   LYS  18           HB1      LYS  18 -16.693   9.181  -2.390
  143   2HB   LYS  18           HB2      LYS  18 -17.423   8.817  -3.992
  144   1HG   LYS  18           HG1      LYS  18 -16.678   6.460  -3.794
  145   2HG   LYS  18           HG2      LYS  18 -16.043   6.783  -2.139
  146   1HD   LYS  18           HD1      LYS  18 -18.972   7.132  -3.062
  147   2HD   LYS  18           HD2      LYS  18 -18.325   5.700  -2.192
  148   1HE   LYS  18           HE1      LYS  18 -18.422   8.562  -1.016
  149   2HE   LYS  18           HE2      LYS  18 -19.534   7.191  -0.619
  150   1HZ   LYS  18           HZ1      LYS  18 -17.642   5.942   0.155
  151   2HZ   LYS  18           HZ2      LYS  18 -16.590   7.222  -0.220
  152   3HZ   LYS  18           HZ3      LYS  18 -17.779   7.422   0.977
  153    H    GLN  19           H        GLN  19 -14.266   9.398  -1.627
  154    HA   GLN  19           HA       GLN  19 -11.816   7.863  -2.070
  155   1HB   GLN  19           HB1      GLN  19 -12.010   9.441   0.490
  156   2HB   GLN  19           HB2      GLN  19 -10.659   9.146  -0.660
  157   1HG   GLN  19           HG1      GLN  19 -12.962  11.132  -1.154
  158   2HG   GLN  19           HG2      GLN  19 -11.305  11.504  -0.585
  159   1HE2  GLN  19           HE21     GLN  19  -9.817  10.728  -3.839
  160   2HE2  GLN  19           HE22     GLN  19  -9.463  10.793  -2.128
  161    H    PHE  20           H        PHE  20 -11.831   5.787  -1.635
  162    HA   PHE  20           HA       PHE  20 -13.597   4.611   0.420
  163   1HB   PHE  20           HB1      PHE  20 -11.938   3.480  -1.931
  164   2HB   PHE  20           HB2      PHE  20 -12.795   2.397  -0.794
  165    HD1  PHE  20           HD1      PHE  20 -15.404   2.652  -0.562
  166    HD2  PHE  20           HD2      PHE  20 -13.180   4.595  -3.762
  167    HE1  PHE  20           HE1      PHE  20 -17.425   2.847  -1.907
  168    HE2  PHE  20           HE2      PHE  20 -15.239   4.805  -5.030
  169    HZ   PHE  20           HZ       PHE  20 -17.352   3.869  -4.163
  170    H    SER  21           H        SER  21 -12.714   3.035   1.958
  171    HA   SER  21           HA       SER  21 -10.328   3.893   3.251
  172   1HB   SER  21           HB1      SER  21 -12.411   3.036   4.452
  173   2HB   SER  21           HB2      SER  21 -12.049   1.378   3.871
  174    HG   SER  21           HG       SER  21 -10.036   1.596   5.055
  175    H    SER  22           H        SER  22  -8.261   3.408   2.825
  176    HA   SER  22           HA       SER  22  -7.574   0.668   1.897
  177   1HB   SER  22           HB1      SER  22  -6.150   1.762   0.042
  178   2HB   SER  22           HB2      SER  22  -7.840   2.101  -0.088
  179    HG   SER  22           HG       SER  22  -6.319   3.850   1.493
  180    H    PHE  23           H        PHE  23  -5.343   0.387   1.645
  181    HA   PHE  23           HA       PHE  23  -3.467   1.685   3.535
  182   1HB   PHE  23           HB1      PHE  23  -3.992  -1.359   3.355
  183   2HB   PHE  23           HB2      PHE  23  -2.551  -0.660   4.166
  184    HD1  PHE  23           HD1      PHE  23  -6.295  -0.903   4.428
  185    HD2  PHE  23           HD2      PHE  23  -2.614   0.265   6.303
  186    HE1  PHE  23           HE1      PHE  23  -7.465  -0.695   6.604
  187    HE2  PHE  23           HE2      PHE  23  -3.764   0.503   8.457
  188    HZ   PHE  23           HZ       PHE  23  -6.208  -0.008   8.626
  189    H    TYR  24           H        TYR  24  -1.198   1.294   3.125
  190    HA   TYR  24           HA       TYR  24  -0.381   0.041   0.639
  191   1HB   TYR  24           HB1      TYR  24   0.679   1.848  -0.454
  192   2HB   TYR  24           HB2      TYR  24  -0.966   2.414  -0.067
  193    HD1  TYR  24           HD1      TYR  24  -1.259   4.153   1.843
  194    HD2  TYR  24           HD2      TYR  24   2.604   2.997   0.323
  195    HE1  TYR  24           HE1      TYR  24  -0.281   6.174   2.807
  196    HE2  TYR  24           HE2      TYR  24   3.620   5.001   1.432
  197    HH   TYR  24           HH       TYR  24   1.637   7.447   3.046
  198    H    PHE  25           H        PHE  25   2.111  -0.392   0.584
  199    HA   PHE  25           HA       PHE  25   3.252  -0.284   3.288
  200   1HB   PHE  25           HB1      PHE  25   3.258  -2.492   1.779
  201   2HB   PHE  25           HB2      PHE  25   4.624  -1.735   0.930
  202    HD1  PHE  25           HD1      PHE  25   6.703  -1.043   2.445
  203    HD2  PHE  25           HD2      PHE  25   3.541  -3.637   3.828
  204    HE1  PHE  25           HE1      PHE  25   8.102  -1.893   4.300
  205    HE2  PHE  25           HE2      PHE  25   4.805  -4.265   5.732
  206    HZ   PHE  25           HZ       PHE  25   7.182  -3.383   5.990
  207    H    LYS  26           H        LYS  26   4.771   1.215   3.793
  208    HA   LYS  26           HA       LYS  26   5.640   3.132   1.789
  209   1HB   LYS  26           HB1      LYS  26   4.144   3.838   3.523
  210   2HB   LYS  26           HB2      LYS  26   5.088   2.998   4.778
  211   1HG   LYS  26           HG1      LYS  26   5.138   5.118   4.946
  212   2HG   LYS  26           HG2      LYS  26   6.879   4.685   4.639
  213   1HD   LYS  26           HD1      LYS  26   4.911   6.209   2.809
  214   2HD   LYS  26           HD2      LYS  26   6.236   6.928   3.790
  215   1HE   LYS  26           HE1      LYS  26   7.967   5.795   2.470
  216   2HE   LYS  26           HE2      LYS  26   6.652   4.901   1.600
  217   1HZ   LYS  26           HZ1      LYS  26   5.868   6.998   0.731
  218   2HZ   LYS  26           HZ2      LYS  26   7.077   7.847   1.567
  219   3HZ   LYS  26           HZ3      LYS  26   7.501   6.767   0.327
  220    H    TRP  27           H        TRP  27   7.668   2.638   1.099
  221    HA   TRP  27           HA       TRP  27   9.487   0.884   1.942
  222   1HB   TRP  27           HB1      TRP  27   9.517   1.692  -0.271
  223   2HB   TRP  27           HB2      TRP  27   9.473   3.385   0.161
  224    HD1  TRP  27           HD1      TRP  27  11.687   4.447  -0.586
  225    HE1  TRP  27           HE1      TRP  27  14.118   3.577  -0.979
  226    HE3  TRP  27           HE3      TRP  27  11.023  -0.280   0.876
  227    HZ2  TRP  27           HZ2      TRP  27  15.620   1.229  -0.384
  228    HZ3  TRP  27           HZ3      TRP  27  12.925  -1.866   0.998
  229    HH2  TRP  27           HH2      TRP  27  15.237  -1.110   0.354
  230    H    THR  28           H        THR  28   9.818   4.421   2.644
  231    HA   THR  28           HA       THR  28  12.197   4.036   4.149
  232    HB   THR  28           HB       THR  28  11.824   6.621   4.606
  233    HG1  THR  28           HG1      THR  28  10.576   7.425   2.827
  234   1HG2  THR  28           HG21     THR  28  12.283   5.387   1.814
  235   2HG2  THR  28           HG22     THR  28  12.753   7.054   2.318
  236   3HG2  THR  28           HG23     THR  28  13.528   5.627   3.087
  237    H    ALA  29           H        ALA  29   8.878   3.779   5.006
  238    HA   ALA  29           HA       ALA  29   9.327   4.366   7.860
  239   1HB   ALA  29           HB1      ALA  29   6.824   3.292   6.392
  240   2HB   ALA  29           HB2      ALA  29   6.906   3.783   8.136
  241   3HB   ALA  29           HB3      ALA  29   7.153   4.997   6.843
  242    H    LYS  30           H        LYS  30   8.878   1.585   5.664
  243    HA   LYS  30           HA       LYS  30   9.327  -0.554   5.801
  244   1HB   LYS  30           HB1      LYS  30  10.862   0.105   8.308
  245   2HB   LYS  30           HB2      LYS  30  10.691  -1.582   7.752
  246   1HG   LYS  30           HG1      LYS  30  11.716   0.594   5.853
  247   2HG   LYS  30           HG2      LYS  30  12.743  -0.346   6.984
  248   1HD   LYS  30           HD1      LYS  30  12.013  -2.481   6.047
  249   2HD   LYS  30           HD2      LYS  30  10.948  -1.662   4.852
  250   1HE   LYS  30           HE1      LYS  30  12.887  -0.678   3.698
  251   2HE   LYS  30           HE2      LYS  30  14.008  -1.277   4.988
  252   1HZ   LYS  30           HZ1      LYS  30  13.406  -3.529   4.417
  253   2HZ   LYS  30           HZ2      LYS  30  12.350  -2.987   3.204
  254   3HZ   LYS  30           HZ3      LYS  30  14.018  -2.702   3.066
  255    H    LYS  31           H        LYS  31   6.877   0.709   6.900
  256    HA   LYS  31           HA       LYS  31   5.629  -1.560   8.213
  257   1HB   LYS  31           HB1      LYS  31   6.657  -0.049   9.952
  258   2HB   LYS  31           HB2      LYS  31   5.818   1.352   9.248
  259   1HG   LYS  31           HG1      LYS  31   3.631   0.404  10.133
  260   2HG   LYS  31           HG2      LYS  31   4.513  -1.093  10.650
  261   1HD   LYS  31           HD1      LYS  31   4.191   0.327  12.590
  262   2HD   LYS  31           HD2      LYS  31   5.937   0.290  12.174
  263   1HE   LYS  31           HE1      LYS  31   5.636   2.606  11.057
  264   2HE   LYS  31           HE2      LYS  31   3.919   2.578  11.641
  265   1HZ   LYS  31           HZ1      LYS  31   4.763   2.383  13.872
  266   2HZ   LYS  31           HZ2      LYS  31   6.366   2.389  13.310
  267   3HZ   LYS  31           HZ3      LYS  31   5.386   3.760  13.096
  268    H    CYS  32           H        CYS  32   3.201  -1.130   8.226
  269    HA   CYS  32           HA       CYS  32   2.327   0.058   5.708
  270   1HB   CYS  32           HB1      CYS  32   0.881  -1.698   7.797
  271   2HB   CYS  32           HB2      CYS  32   0.160  -1.231   6.204
  272    H    LEU  33           H        LEU  33   0.780   1.599   5.458
  273    HA   LEU  33           HA       LEU  33  -0.170   3.119   7.788
  274   1HB   LEU  33           HB1      LEU  33   0.819   4.253   5.078
  275   2HB   LEU  33           HB2      LEU  33   0.119   5.226   6.412
  276    HG   LEU  33           HG       LEU  33   2.781   3.708   6.510
  277   1HD1  LEU  33           HD11     LEU  33   2.072   6.690   6.224
  278   2HD1  LEU  33           HD12     LEU  33   3.726   6.021   6.473
  279   3HD1  LEU  33           HD13     LEU  33   2.806   5.622   4.970
  280   1HD2  LEU  33           HD21     LEU  33   1.453   5.623   8.555
  281   2HD2  LEU  33           HD22     LEU  33   1.762   3.858   8.798
  282   3HD2  LEU  33           HD23     LEU  33   3.141   4.997   8.618
  283    HA   PRO  34           HA       PRO  34  -3.986   3.048   5.002
  284   1HB   PRO  34           HB1      PRO  34  -5.684   4.451   6.590
  285   2HB   PRO  34           HB2      PRO  34  -5.018   2.894   7.182
  286   1HG   PRO  34           HG1      PRO  34  -4.032   5.705   7.920
  287   2HG   PRO  34           HG2      PRO  34  -4.384   4.327   9.035
  288   1HD   PRO  34           HD1      PRO  34  -1.825   5.019   7.890
  289   2HD   PRO  34           HD2      PRO  34  -2.260   3.384   8.593
  290    H    PHE  35           H        PHE  35  -4.901   4.218   3.661
  291    HA   PHE  35           HA       PHE  35  -4.613   7.128   3.650
  292   1HB   PHE  35           HB1      PHE  35  -3.625   7.624   1.639
  293   2HB   PHE  35           HB2      PHE  35  -2.602   6.308   2.241
  294    HD1  PHE  35           HD1      PHE  35  -3.730   3.816   1.317
  295    HD2  PHE  35           HD2      PHE  35  -3.774   7.661  -0.725
  296    HE1  PHE  35           HE1      PHE  35  -3.927   2.706  -0.828
  297    HE2  PHE  35           HE2      PHE  35  -4.061   6.470  -2.887
  298    HZ   PHE  35           HZ       PHE  35  -4.596   4.039  -2.812
  299    H    LEU  36           H        LEU  36  -5.992   7.256   0.965
  300    HA   LEU  36           HA       LEU  36  -8.417   5.727   1.391
  301   1HB   LEU  36           HB1      LEU  36  -8.166   8.853   1.162
  302   2HB   LEU  36           HB2      LEU  36  -9.691   7.958   0.795
  303    HG   LEU  36           HG       LEU  36  -8.401   7.971   3.547
  304   1HD1  LEU  36           HD11     LEU  36  -9.065  10.288   2.914
  305   2HD1  LEU  36           HD12     LEU  36 -10.704   9.710   2.437
  306   3HD1  LEU  36           HD13     LEU  36 -10.176   9.607   4.155
  307   1HD2  LEU  36           HD21     LEU  36 -11.164   7.120   2.447
  308   2HD2  LEU  36           HD22     LEU  36  -9.883   6.018   3.088
  309   3HD2  LEU  36           HD23     LEU  36 -10.719   7.164   4.197
  310    H    PHE  37           H        PHE  37  -9.265   5.434  -0.731
  311    HA   PHE  37           HA       PHE  37  -7.514   6.366  -2.980
  312   1HB   PHE  37           HB1      PHE  37  -6.809   4.260  -2.511
  313   2HB   PHE  37           HB2      PHE  37  -8.394   3.602  -2.073
  314    HD1  PHE  37           HD1      PHE  37 -10.201   3.492  -4.070
  315    HD2  PHE  37           HD2      PHE  37  -5.941   3.483  -4.472
  316    HE1  PHE  37           HE1      PHE  37 -10.420   2.435  -6.293
  317    HE2  PHE  37           HE2      PHE  37  -6.174   2.254  -6.661
  318    HZ   PHE  37           HZ       PHE  37  -8.406   1.831  -7.590
  319    H    SER  38           H        SER  38  -8.487   7.311  -4.784
  320    HA   SER  38           HA       SER  38 -11.210   8.029  -4.521
  321   1HB   SER  38           HB1      SER  38  -9.546   8.629  -7.004
  322   2HB   SER  38           HB2      SER  38 -10.940   9.518  -6.272
  323    HG   SER  38           HG       SER  38  -8.238   9.397  -5.574
  324    H    GLY  39           H        GLY  39 -10.029   5.156  -6.189
  325   1HA   GLY  39           HA1      GLY  39 -12.151   3.970  -7.094
  326   2HA   GLY  39           HA2      GLY  39 -12.338   5.339  -8.084
  327    H    CYS  40           H        CYS  40 -10.196   6.072  -9.260
  328    HA   CYS  40           HA       CYS  40  -8.777   3.824 -10.442
  329   1HB   CYS  40           HB1      CYS  40  -9.311   4.361 -12.744
  330   2HB   CYS  40           HB2      CYS  40 -10.792   3.952 -11.847
  331    H    GLY  41           H        GLY  41  -7.608   5.161  -8.696
  332   1HA   GLY  41           HA1      GLY  41  -6.021   7.339  -9.970
  333   2HA   GLY  41           HA2      GLY  41  -6.505   7.242  -8.227
  334    H    GLY  42           H        GLY  42  -6.046   4.730  -7.501
  335   1HA   GLY  42           HA1      GLY  42  -3.178   4.518  -7.550
  336   2HA   GLY  42           HA2      GLY  42  -4.349   3.551  -6.620
  337    H    ASN  43           H        ASN  43  -1.939   2.713  -7.917
  338    HA   ASN  43           HA       ASN  43  -2.942   1.009 -10.124
  339   1HB   ASN  43           HB1      ASN  43  -0.767   0.673 -10.986
  340   2HB   ASN  43           HB2      ASN  43  -1.155   2.416 -10.811
  341   1HD2  ASN  43           HD21     ASN  43   1.668   2.892  -8.548
  342   2HD2  ASN  43           HD22     ASN  43   0.385   3.730  -9.366
  343    H    ALA  44           H        ALA  44  -0.201  -0.378  -8.262
  344    HA   ALA  44           HA       ALA  44  -2.098  -2.611  -7.633
  345   1HB   ALA  44           HB1      ALA  44  -0.956  -2.926  -9.776
  346   2HB   ALA  44           HB2      ALA  44   0.646  -2.796  -9.001
  347   3HB   ALA  44           HB3      ALA  44  -0.477  -4.172  -8.600
  348    H    ASN  45           H        ASN  45  -0.331  -0.533  -5.851
  349    HA   ASN  45           HA       ASN  45   0.597  -2.619  -3.899
  350   1HB   ASN  45           HB1      ASN  45   2.409  -1.155  -4.580
  351   2HB   ASN  45           HB2      ASN  45   1.421   0.296  -4.299
  352   1HD2  ASN  45           HD21     ASN  45   3.360   0.643  -1.441
  353   2HD2  ASN  45           HD22     ASN  45   2.810   1.231  -2.958
  354    H    ARG  46           H        ARG  46  -2.285  -1.748  -4.493
  355    HA   ARG  46           HA       ARG  46  -2.966  -0.280  -2.023
  356   1HB   ARG  46           HB1      ARG  46  -4.904  -0.409  -4.355
  357   2HB   ARG  46           HB2      ARG  46  -4.885   0.654  -2.903
  358   1HG   ARG  46           HG1      ARG  46  -3.015   0.614  -5.307
  359   2HG   ARG  46           HG2      ARG  46  -4.368   1.754  -4.914
  360   1HD   ARG  46           HD1      ARG  46  -3.070   2.643  -3.021
  361   2HD   ARG  46           HD2      ARG  46  -1.674   1.647  -3.345
  362    HE   ARG  46           HE       ARG  46  -2.663   4.031  -4.907
  363   1HH1  ARG  46           HH11     ARG  46  -0.047   1.538  -4.889
  364   2HH1  ARG  46           HH12     ARG  46   0.681   2.326  -6.237
  365   1HH2  ARG  46           HH21     ARG  46  -1.584   4.695  -6.686
  366   2HH2  ARG  46           HH22     ARG  46  -0.063   3.957  -7.090
  367    H    PHE  47           H        PHE  47  -3.843  -1.181  -0.621
  368    HA   PHE  47           HA       PHE  47  -4.943  -3.941  -0.846
  369   1HB   PHE  47           HB1      PHE  47  -3.689  -2.434   1.482
  370   2HB   PHE  47           HB2      PHE  47  -3.979  -4.111   1.619
  371    HD1  PHE  47           HD1      PHE  47  -2.865  -5.009  -1.230
  372    HD2  PHE  47           HD2      PHE  47  -1.333  -2.120   1.619
  373    HE1  PHE  47           HE1      PHE  47  -0.614  -5.108  -2.256
  374    HE2  PHE  47           HE2      PHE  47   0.883  -2.378   0.647
  375    HZ   PHE  47           HZ       PHE  47   1.250  -3.850  -1.302
  376    H    GLN  48           H        GLN  48  -6.773  -4.601   0.288
  377    HA   GLN  48           HA       GLN  48  -8.713  -2.537   0.896
  378   1HB   GLN  48           HB1      GLN  48 -10.372  -4.005   0.530
  379   2HB   GLN  48           HB2      GLN  48  -9.112  -4.626  -0.557
  380   1HG   GLN  48           HG1      GLN  48 -10.137  -5.801   2.114
  381   2HG   GLN  48           HG2      GLN  48 -10.300  -6.500   0.476
  382   1HE2  GLN  48           HE21     GLN  48  -6.862  -7.758   0.574
  383   2HE2  GLN  48           HE22     GLN  48  -8.049  -7.190  -0.577
  384    H    THR  49           H        THR  49  -6.682  -4.637   2.834
  385    HA   THR  49           HA       THR  49  -7.707  -3.347   5.250
  386    HB   THR  49           HB       THR  49  -7.583  -5.447   6.576
  387    HG1  THR  49           HG1      THR  49  -7.539  -6.783   4.040
  388   1HG2  THR  49           HG21     THR  49  -9.768  -4.597   5.693
  389   2HG2  THR  49           HG22     THR  49  -9.558  -5.583   4.216
  390   3HG2  THR  49           HG23     THR  49  -9.731  -6.402   5.813
  391    H    ILE  50           H        ILE  50  -6.059  -3.921   7.081
  392    HA   ILE  50           HA       ILE  50  -3.533  -2.973   6.370
  393    HB   ILE  50           HB       ILE  50  -4.850  -2.513   8.407
  394   1HG1  ILE  50           HG11     ILE  50  -2.023  -3.488   9.045
  395   2HG1  ILE  50           HG12     ILE  50  -2.427  -1.972   8.159
  396   1HG2  ILE  50           HG21     ILE  50  -5.565  -4.937   8.904
  397   2HG2  ILE  50           HG22     ILE  50  -3.885  -5.253   9.477
  398   3HG2  ILE  50           HG23     ILE  50  -4.908  -4.045  10.313
  399   1HD1  ILE  50           HD11     ILE  50  -3.787  -1.189  10.149
  400   2HD1  ILE  50           HD12     ILE  50  -3.251  -2.651  11.063
  401   3HD1  ILE  50           HD13     ILE  50  -2.041  -1.429  10.521
  402    H    GLY  51           H        GLY  51  -4.725  -6.271   6.726
  403   1HA   GLY  51           HA1      GLY  51  -2.032  -7.365   7.141
  404   2HA   GLY  51           HA2      GLY  51  -3.595  -8.196   7.202
  405    H    GLU  52           H        GLU  52  -3.574  -6.393   4.384
  406    HA   GLU  52           HA       GLU  52  -2.612  -8.650   2.720
  407   1HB   GLU  52           HB1      GLU  52  -4.859  -7.556   2.364
  408   2HB   GLU  52           HB2      GLU  52  -4.038  -6.013   2.119
  409   1HG   GLU  52           HG1      GLU  52  -4.489  -6.618  -0.051
  410   2HG   GLU  52           HG2      GLU  52  -2.811  -7.212   0.056
  411    H    CYS  53           H        CYS  53  -1.633  -5.571   3.915
  412    HA   CYS  53           HA       CYS  53   0.217  -4.631   2.068
  413   1HB   CYS  53           HB1      CYS  53  -1.018  -3.374   4.012
  414   2HB   CYS  53           HB2      CYS  53  -0.074  -4.255   5.143
  415    H    ARG  54           H        ARG  54   0.733  -6.318   4.996
  416    HA   ARG  54           HA       ARG  54   3.545  -6.459   5.257
  417   1HB   ARG  54           HB1      ARG  54   1.102  -7.776   6.493
  418   2HB   ARG  54           HB2      ARG  54   2.729  -8.168   7.118
  419   1HG   ARG  54           HG1      ARG  54   3.014  -6.281   8.224
  420   2HG   ARG  54           HG2      ARG  54   2.345  -5.245   6.932
  421   1HD   ARG  54           HD1      ARG  54   1.032  -5.167   9.020
  422   2HD   ARG  54           HD2      ARG  54   0.047  -5.739   7.607
  423    HE   ARG  54           HE       ARG  54   0.870  -8.158   8.561
  424   1HH1  ARG  54           HH11     ARG  54   0.140  -5.469  10.779
  425   2HH1  ARG  54           HH12     ARG  54  -0.133  -6.579  12.092
  426   1HH2  ARG  54           HH21     ARG  54   0.264  -9.400  10.060
  427   2HH2  ARG  54           HH22     ARG  54  -0.096  -8.831  11.666
  428    H    LYS  55           H        LYS  55   1.322  -8.782   3.725
  429    HA   LYS  55           HA       LYS  55   3.194 -10.968   3.676
  430   1HB   LYS  55           HB1      LYS  55   0.839 -11.226   4.022
  431   2HB   LYS  55           HB2      LYS  55   0.413 -10.472   2.452
  432   1HG   LYS  55           HG1      LYS  55   1.364 -12.438   1.243
  433   2HG   LYS  55           HG2      LYS  55   2.048 -13.083   2.781
  434   1HD   LYS  55           HD1      LYS  55  -0.152 -13.442   3.726
  435   2HD   LYS  55           HD2      LYS  55  -0.977 -12.671   2.326
  436   1HE   LYS  55           HE1      LYS  55   0.727 -15.251   2.120
  437   2HE   LYS  55           HE2      LYS  55  -1.068 -15.225   2.368
  438   1HZ   LYS  55           HZ1      LYS  55  -1.306 -14.019   0.316
  439   2HZ   LYS  55           HZ2      LYS  55   0.373 -14.028   0.062
  440   3HZ   LYS  55           HZ3      LYS  55  -0.492 -15.489   0.069
  441    H    LYS  56           H        LYS  56   2.935  -8.172   1.735
  442    HA   LYS  56           HA       LYS  56   4.209  -9.303  -0.636
  443   1HB   LYS  56           HB1      LYS  56   2.983  -6.549  -0.070
  444   2HB   LYS  56           HB2      LYS  56   3.844  -6.993  -1.561
  445   1HG   LYS  56           HG1      LYS  56   2.164  -9.083  -1.540
  446   2HG   LYS  56           HG2      LYS  56   1.185  -7.937  -0.576
  447   1HD   LYS  56           HD1      LYS  56   1.833  -6.366  -2.937
  448   2HD   LYS  56           HD2      LYS  56   2.003  -8.050  -3.494
  449   1HE   LYS  56           HE1      LYS  56  -0.168  -8.802  -2.917
  450   2HE   LYS  56           HE2      LYS  56  -0.615  -7.219  -2.192
  451   1HZ   LYS  56           HZ1      LYS  56   0.205  -7.702  -5.021
  452   2HZ   LYS  56           HZ2      LYS  56  -1.375  -7.435  -4.456
  453   3HZ   LYS  56           HZ3      LYS  56  -0.216  -6.198  -4.353
  454    H    CYS  57           H        CYS  57   4.824  -7.138   2.147
  455    HA   CYS  57           HA       CYS  57   7.594  -6.521   1.155
  456   1HB   CYS  57           HB1      CYS  57   5.369  -4.924   2.424
  457   2HB   CYS  57           HB2      CYS  57   7.059  -4.299   2.533
  458    H    LEU  58           H        LEU  58   6.480  -8.482   3.679
  459    HA   LEU  58           HA       LEU  58   8.887  -7.633   5.194
  460   1HB   LEU  58           HB1      LEU  58   6.133  -7.700   6.378
  461   2HB   LEU  58           HB2      LEU  58   7.531  -8.095   7.443
  462    HG   LEU  58           HG       LEU  58   7.230  -5.517   5.898
  463   1HD1  LEU  58           HD11     LEU  58   5.597  -5.782   7.881
  464   2HD1  LEU  58           HD12     LEU  58   6.995  -6.165   8.941
  465   3HD1  LEU  58           HD13     LEU  58   6.854  -4.526   8.214
  466   1HD2  LEU  58           HD21     LEU  58   9.405  -6.366   7.867
  467   2HD2  LEU  58           HD22     LEU  58   9.605  -5.892   6.136
  468   3HD2  LEU  58           HD23     LEU  58   9.077  -4.672   7.334
  469    H    GLY  59           H        GLY  59   6.923 -10.232   4.050
  470   1HA   GLY  59           HA1      GLY  59   7.269 -12.407   3.983
  471   2HA   GLY  59           HA2      GLY  59   8.697 -12.254   5.084
  472    H    LYS  60           H        LYS  60   5.142 -11.660   5.236
  473    HA   LYS  60           HA       LYS  60   4.765 -13.490   7.417
  474   1HB   LYS  60           HB1      LYS  60   3.810 -11.565   8.877
  475   2HB   LYS  60           HB2      LYS  60   5.607 -11.620   8.794
  476   1HG   LYS  60           HG1      LYS  60   5.638  -9.853   7.023
  477   2HG   LYS  60           HG2      LYS  60   3.872  -9.759   7.113
  478   1HD   LYS  60           HD1      LYS  60   5.986  -9.020   9.237
  479   2HD   LYS  60           HD2      LYS  60   4.921  -7.927   8.280
  480   1HE   LYS  60           HE1      LYS  60   2.917  -8.812   9.535
  481   2HE   LYS  60           HE2      LYS  60   4.025  -9.799  10.573
  482   1HZ   LYS  60           HZ1      LYS  60   4.103  -6.843  10.228
  483   2HZ   LYS  60           HZ2      LYS  60   3.488  -7.689  11.567
  484   3HZ   LYS  60           HZ3      LYS  60   5.146  -7.763  11.202
   
  No H/Q in entry =         484
  Start of MODEL   10
    1    H    TRP   1           H        TRP   1  12.457 -12.533   4.111
    2    HA   TRP   1           HA       TRP   1  12.069 -12.060   1.280
    3   1HB   TRP   1           HB1      TRP   1  10.047 -11.814   2.463
    4   2HB   TRP   1           HB2      TRP   1  10.704 -10.846   3.796
    5    HD1  TRP   1           HD1      TRP   1   8.875 -10.306   0.497
    6    HE1  TRP   1           HE1      TRP   1   8.522  -7.888   0.205
    7    HE3  TRP   1           HE3      TRP   1  12.081  -8.652   4.154
    8    HZ2  TRP   1           HZ2      TRP   1   9.739  -5.453   1.128
    9    HZ3  TRP   1           HZ3      TRP   1  12.351  -6.229   4.461
   10    HH2  TRP   1           HH2      TRP   1  11.156  -4.628   2.993
   11    H    GLN   2           H        GLN   2  12.719 -10.191   0.183
   12    HA   GLN   2           HA       GLN   2  14.473  -8.234   1.331
   13   1HB   GLN   2           HB1      GLN   2  15.146 -10.071  -1.068
   14   2HB   GLN   2           HB2      GLN   2  15.840  -8.437  -0.897
   15   1HG   GLN   2           HG1      GLN   2  16.893  -9.087   1.304
   16   2HG   GLN   2           HG2      GLN   2  16.240 -10.754   1.116
   17   1HE2  GLN   2           HE21     GLN   2  19.767 -10.873  -0.072
   18   2HE2  GLN   2           HE22     GLN   2  18.926 -10.629   1.443
   19    HA   PRO   3           HA       PRO   3  11.103  -6.459  -0.631
   20   1HB   PRO   3           HB1      PRO   3  12.160  -3.801  -1.436
   21   2HB   PRO   3           HB2      PRO   3  11.247  -4.357   0.029
   22   1HG   PRO   3           HG1      PRO   3  14.029  -3.653   0.013
   23   2HG   PRO   3           HG2      PRO   3  13.136  -4.573   1.290
   24   1HD   PRO   3           HD1      PRO   3  14.882  -5.658  -0.928
   25   2HD   PRO   3           HD2      PRO   3  14.657  -6.192   0.805
   26    HA   PRO   4           HA       PRO   4  11.145  -6.996  -5.165
   27   1HB   PRO   4           HB1      PRO   4   8.163  -7.648  -4.705
   28   2HB   PRO   4           HB2      PRO   4   9.440  -8.587  -5.567
   29   1HG   PRO   4           HG1      PRO   4   8.505  -9.267  -3.058
   30   2HG   PRO   4           HG2      PRO   4  10.249  -9.336  -3.453
   31   1HD   PRO   4           HD1      PRO   4   8.914  -6.969  -1.968
   32   2HD   PRO   4           HD2      PRO   4  10.263  -8.009  -1.527
   33    H    TRP   5           H        TRP   5   7.872  -6.265  -5.586
   34    HA   TRP   5           HA       TRP   5   8.434  -3.627  -6.661
   35   1HB   TRP   5           HB1      TRP   5   6.175  -3.698  -7.773
   36   2HB   TRP   5           HB2      TRP   5   7.397  -4.871  -8.256
   37    HD1  TRP   5           HD1      TRP   5   6.904  -7.390  -8.041
   38    HE1  TRP   5           HE1      TRP   5   4.573  -8.671  -8.066
   39    HE3  TRP   5           HE3      TRP   5   3.691  -3.986  -6.074
   40    HZ2  TRP   5           HZ2      TRP   5   1.833  -8.000  -8.055
   41    HZ3  TRP   5           HZ3      TRP   5   1.418  -4.017  -6.451
   42    HH2  TRP   5           HH2      TRP   5   0.372  -6.110  -7.404
   43    H    TYR   6           H        TYR   6   5.723  -4.874  -4.821
   44    HA   TYR   6           HA       TYR   6   4.077  -2.954  -4.192
   45   1HB   TYR   6           HB1      TYR   6   4.797  -4.795  -1.816
   46   2HB   TYR   6           HB2      TYR   6   3.223  -4.503  -2.625
   47    HD1  TYR   6           HD1      TYR   6   2.706  -5.938  -4.682
   48    HD2  TYR   6           HD2      TYR   6   6.320  -6.372  -2.421
   49    HE1  TYR   6           HE1      TYR   6   2.971  -8.205  -5.588
   50    HE2  TYR   6           HE2      TYR   6   6.545  -8.742  -3.415
   51    HH   TYR   6           HH       TYR   6   4.148 -10.194  -5.388
   52    H    CYS   7           H        CYS   7   6.604  -3.595  -1.900
   53    HA   CYS   7           HA       CYS   7   6.114  -1.906   0.016
   54   1HB   CYS   7           HB1      CYS   7   8.992  -2.723  -0.824
   55   2HB   CYS   7           HB2      CYS   7   8.346  -2.534   0.831
   56    H    LYS   8           H        LYS   8   7.989  -1.278  -2.857
   57    HA   LYS   8           HA       LYS   8   8.807   1.424  -2.081
   58   1HB   LYS   8           HB1      LYS   8  10.470  -0.462  -2.273
   59   2HB   LYS   8           HB2      LYS   8   9.853  -0.846  -3.919
   60   1HG   LYS   8           HG1      LYS   8  10.770   1.396  -4.619
   61   2HG   LYS   8           HG2      LYS   8  11.478   1.572  -2.957
   62   1HD   LYS   8           HD1      LYS   8  12.509  -0.813  -3.391
   63   2HD   LYS   8           HD2      LYS   8  11.967  -0.635  -5.083
   64   1HE   LYS   8           HE1      LYS   8  14.021   1.169  -3.562
   65   2HE   LYS   8           HE2      LYS   8  14.416  -0.058  -4.826
   66   1HZ   LYS   8           HZ1      LYS   8  12.814   2.413  -5.230
   67   2HZ   LYS   8           HZ2      LYS   8  14.431   2.162  -5.689
   68   3HZ   LYS   8           HZ3      LYS   8  13.190   1.258  -6.417
   69    H    GLU   9           H        GLU   9   6.000   0.328  -3.393
   70    HA   GLU   9           HA       GLU   9   6.338   1.154  -6.139
   71   1HB   GLU   9           HB1      GLU   9   5.220  -0.924  -5.432
   72   2HB   GLU   9           HB2      GLU   9   3.834   0.042  -4.927
   73   1HG   GLU   9           HG1      GLU   9   3.614  -0.880  -7.203
   74   2HG   GLU   9           HG2      GLU   9   3.650   0.911  -7.410
   75    HA   PRO  10           HA       PRO  10   4.757   5.183  -5.154
   76   1HB   PRO  10           HB1      PRO  10   3.908   5.384  -8.087
   77   2HB   PRO  10           HB2      PRO  10   4.854   6.559  -7.092
   78   1HG   PRO  10           HG1      PRO  10   6.103   4.905  -8.820
   79   2HG   PRO  10           HG2      PRO  10   6.790   5.027  -7.150
   80   1HD   PRO  10           HD1      PRO  10   4.776   2.928  -8.163
   81   2HD   PRO  10           HD2      PRO  10   6.405   2.634  -7.407
   82    H    VAL  11           H        VAL  11   2.952   5.238  -3.845
   83    HA   VAL  11           HA       VAL  11   0.406   4.203  -4.497
   84    HB   VAL  11           HB       VAL  11   1.250   3.994  -2.307
   85   1HG1  VAL  11           HG11     VAL  11   2.605   6.097  -2.056
   86   2HG1  VAL  11           HG12     VAL  11   1.095   7.075  -2.048
   87   3HG1  VAL  11           HG13     VAL  11   1.412   5.914  -0.719
   88   1HG2  VAL  11           HG21     VAL  11  -1.235   4.087  -2.742
   89   2HG2  VAL  11           HG22     VAL  11  -0.758   4.562  -1.079
   90   3HG2  VAL  11           HG23     VAL  11  -1.241   5.826  -2.243
   91    H    ARG  12           H        ARG  12  -1.408   5.135  -5.147
   92    HA   ARG  12           HA       ARG  12  -1.374   7.939  -6.070
   93   1HB   ARG  12           HB1      ARG  12  -2.295   5.297  -7.404
   94   2HB   ARG  12           HB2      ARG  12  -2.576   6.917  -8.154
   95   1HG   ARG  12           HG1      ARG  12   0.078   5.594  -7.521
   96   2HG   ARG  12           HG2      ARG  12  -0.767   5.530  -9.116
   97   1HD   ARG  12           HD1      ARG  12  -0.853   7.983  -9.248
   98   2HD   ARG  12           HD2      ARG  12   0.291   8.114  -7.843
   99    HE   ARG  12           HE       ARG  12   0.992   6.618 -10.456
  100   1HH1  ARG  12           HH11     ARG  12   2.082   8.758  -7.862
  101   2HH1  ARG  12           HH12     ARG  12   3.709   8.758  -8.470
  102   1HH2  ARG  12           HH21     ARG  12   3.051   6.596 -11.043
  103   2HH2  ARG  12           HH22     ARG  12   4.255   7.588 -10.282
  104    H    ILE  13           H        ILE  13  -3.412   8.939  -5.570
  105    HA   ILE  13           HA       ILE  13  -5.523   7.184  -4.513
  106    HB   ILE  13           HB       ILE  13  -4.741   8.846  -3.022
  107   1HG1  ILE  13           HG11     ILE  13  -7.682   8.997  -3.908
  108   2HG1  ILE  13           HG12     ILE  13  -6.859   7.630  -3.087
  109   1HG2  ILE  13           HG21     ILE  13  -4.486  10.930  -4.474
  110   2HG2  ILE  13           HG22     ILE  13  -6.301  10.863  -4.720
  111   3HG2  ILE  13           HG23     ILE  13  -5.583  11.091  -3.089
  112   1HD1  ILE  13           HD11     ILE  13  -6.499   9.053  -1.058
  113   2HD1  ILE  13           HD12     ILE  13  -7.321  10.433  -1.855
  114   3HD1  ILE  13           HD13     ILE  13  -8.259   8.945  -1.457
  115    H    GLY  14           H        GLY  14  -4.970   9.648  -6.970
  116   1HA   GLY  14           HA1      GLY  14  -5.779   9.093  -9.161
  117   2HA   GLY  14           HA2      GLY  14  -7.320   8.559  -8.428
  118    H    SER  15           H        SER  15  -8.596   9.997  -9.892
  119    HA   SER  15           HA       SER  15  -8.794  12.700  -8.874
  120   1HB   SER  15           HB1      SER  15  -8.018  12.303 -11.839
  121   2HB   SER  15           HB2      SER  15  -8.632  13.843 -11.127
  122    HG   SER  15           HG       SER  15  -6.552  12.684  -9.717
  123    H    CYS  16           H        CYS  16 -10.296  10.488  -8.591
  124    HA   CYS  16           HA       CYS  16 -12.698  10.755 -10.258
  125   1HB   CYS  16           HB1      CYS  16 -11.243   8.538  -8.954
  126   2HB   CYS  16           HB2      CYS  16 -12.891   8.542  -8.312
  127    H    LYS  17           H        LYS  17 -14.720  10.180  -8.786
  128    HA   LYS  17           HA       LYS  17 -14.878  12.389  -6.835
  129   1HB   LYS  17           HB1      LYS  17 -17.118  10.929  -8.336
  130   2HB   LYS  17           HB2      LYS  17 -17.255  12.456  -7.407
  131   1HG   LYS  17           HG1      LYS  17 -15.639  11.975 -10.000
  132   2HG   LYS  17           HG2      LYS  17 -17.230  12.747  -9.918
  133   1HD   LYS  17           HD1      LYS  17 -14.596  13.846  -8.715
  134   2HD   LYS  17           HD2      LYS  17 -15.382  14.378 -10.231
  135   1HE   LYS  17           HE1      LYS  17 -16.608  14.727  -7.407
  136   2HE   LYS  17           HE2      LYS  17 -15.765  15.993  -8.379
  137   1HZ   LYS  17           HZ1      LYS  17 -17.419  15.736 -10.092
  138   2HZ   LYS  17           HZ2      LYS  17 -18.224  14.540  -9.193
  139   3HZ   LYS  17           HZ3      LYS  17 -18.133  16.130  -8.601
  140    H    LYS  18           H        LYS  18 -13.668   9.871  -5.917
  141    HA   LYS  18           HA       LYS  18 -15.471   9.344  -3.706
  142   1HB   LYS  18           HB1      LYS  18 -15.867   7.684  -5.684
  143   2HB   LYS  18           HB2      LYS  18 -14.245   7.061  -5.419
  144   1HG   LYS  18           HG1      LYS  18 -15.091   5.662  -3.944
  145   2HG   LYS  18           HG2      LYS  18 -15.595   6.908  -2.808
  146   1HD   LYS  18           HD1      LYS  18 -17.198   5.764  -5.184
  147   2HD   LYS  18           HD2      LYS  18 -17.500   5.442  -3.443
  148   1HE   LYS  18           HE1      LYS  18 -18.267   7.813  -3.104
  149   2HE   LYS  18           HE2      LYS  18 -17.911   8.190  -4.837
  150   1HZ   LYS  18           HZ1      LYS  18 -19.486   6.513  -5.481
  151   2HZ   LYS  18           HZ2      LYS  18 -19.831   6.153  -3.858
  152   3HZ   LYS  18           HZ3      LYS  18 -20.200   7.688  -4.484
  153    H    GLN  19           H        GLN  19 -14.307   8.025  -2.027
  154    HA   GLN  19           HA       GLN  19 -11.479   7.703  -2.116
  155   1HB   GLN  19           HB1      GLN  19 -12.629   8.994   0.454
  156   2HB   GLN  19           HB2      GLN  19 -10.951   8.657  -0.131
  157   1HG   GLN  19           HG1      GLN  19 -12.561  10.947  -1.423
  158   2HG   GLN  19           HG2      GLN  19 -11.892  11.020   0.248
  159   1HE2  GLN  19           HE21     GLN  19  -9.157  11.332  -2.630
  160   2HE2  GLN  19           HE22     GLN  19 -10.852  11.210  -3.073
  161    H    PHE  20           H        PHE  20 -11.562   5.390  -1.744
  162    HA   PHE  20           HA       PHE  20 -13.502   4.340   0.265
  163   1HB   PHE  20           HB1      PHE  20 -11.675   2.851  -1.753
  164   2HB   PHE  20           HB2      PHE  20 -12.887   2.080  -0.696
  165    HD1  PHE  20           HD1      PHE  20 -15.448   2.878  -1.063
  166    HD2  PHE  20           HD2      PHE  20 -12.285   3.399  -3.999
  167    HE1  PHE  20           HE1      PHE  20 -17.080   2.781  -2.888
  168    HE2  PHE  20           HE2      PHE  20 -13.947   3.336  -5.773
  169    HZ   PHE  20           HZ       PHE  20 -16.351   2.980  -5.242
  170    H    SER  21           H        SER  21 -12.550   3.585   2.345
  171    HA   SER  21           HA       SER  21  -9.812   4.136   2.844
  172   1HB   SER  21           HB1      SER  21 -11.616   4.361   4.590
  173   2HB   SER  21           HB2      SER  21 -11.564   2.576   4.784
  174    HG   SER  21           HG       SER  21 -10.111   3.383   6.234
  175    H    SER  22           H        SER  22  -8.042   3.134   2.780
  176    HA   SER  22           HA       SER  22  -7.821   0.217   2.414
  177   1HB   SER  22           HB1      SER  22  -6.042   0.939   0.485
  178   2HB   SER  22           HB2      SER  22  -7.726   1.095   0.093
  179    HG   SER  22           HG       SER  22  -6.413   3.275   1.405
  180    H    PHE  23           H        PHE  23  -5.252   0.007   1.976
  181    HA   PHE  23           HA       PHE  23  -3.561   1.388   3.902
  182   1HB   PHE  23           HB1      PHE  23  -3.921  -1.721   3.751
  183   2HB   PHE  23           HB2      PHE  23  -2.539  -0.880   4.485
  184    HD1  PHE  23           HD1      PHE  23  -2.686   0.307   6.563
  185    HD2  PHE  23           HD2      PHE  23  -6.192  -1.484   4.854
  186    HE1  PHE  23           HE1      PHE  23  -3.876   0.643   8.691
  187    HE2  PHE  23           HE2      PHE  23  -7.395  -1.175   7.009
  188    HZ   PHE  23           HZ       PHE  23  -6.247  -0.119   8.926
  189    H    TYR  24           H        TYR  24  -1.291   1.339   3.420
  190    HA   TYR  24           HA       TYR  24  -0.318  -0.175   1.191
  191   1HB   TYR  24           HB1      TYR  24   0.585   1.358  -0.248
  192   2HB   TYR  24           HB2      TYR  24  -1.003   2.079   0.110
  193    HD1  TYR  24           HD1      TYR  24  -1.061   3.953   1.966
  194    HD2  TYR  24           HD2      TYR  24   2.592   2.539   0.152
  195    HE1  TYR  24           HE1      TYR  24   0.080   5.955   2.766
  196    HE2  TYR  24           HE2      TYR  24   3.789   4.532   1.088
  197    HH   TYR  24           HH       TYR  24   1.989   7.075   2.886
  198    H    PHE  25           H        PHE  25   2.233  -0.107   1.150
  199    HA   PHE  25           HA       PHE  25   3.192  -0.210   3.925
  200   1HB   PHE  25           HB1      PHE  25   3.299  -2.293   2.305
  201   2HB   PHE  25           HB2      PHE  25   4.599  -1.437   1.437
  202    HD1  PHE  25           HD1      PHE  25   6.806  -0.967   2.781
  203    HD2  PHE  25           HD2      PHE  25   3.620  -3.464   4.323
  204    HE1  PHE  25           HE1      PHE  25   8.267  -1.913   4.611
  205    HE2  PHE  25           HE2      PHE  25   4.924  -4.145   6.169
  206    HZ   PHE  25           HZ       PHE  25   7.345  -3.323   6.327
  207    H    LYS  26           H        LYS  26   4.695   1.323   4.696
  208    HA   LYS  26           HA       LYS  26   5.718   3.254   2.763
  209   1HB   LYS  26           HB1      LYS  26   5.043   3.392   5.539
  210   2HB   LYS  26           HB2      LYS  26   6.744   3.884   5.356
  211   1HG   LYS  26           HG1      LYS  26   4.278   5.112   4.292
  212   2HG   LYS  26           HG2      LYS  26   5.687   5.679   5.343
  213   1HD   LYS  26           HD1      LYS  26   5.533   5.640   2.290
  214   2HD   LYS  26           HD2      LYS  26   5.668   6.969   3.457
  215   1HE   LYS  26           HE1      LYS  26   7.811   7.063   2.918
  216   2HE   LYS  26           HE2      LYS  26   8.005   5.705   4.096
  217   1HZ   LYS  26           HZ1      LYS  26   7.603   5.499   1.144
  218   2HZ   LYS  26           HZ2      LYS  26   9.062   5.280   1.987
  219   3HZ   LYS  26           HZ3      LYS  26   7.780   4.190   2.211
  220    H    TRP  27           H        TRP  27   7.587   2.589   1.764
  221    HA   TRP  27           HA       TRP  27   9.466   0.664   2.545
  222   1HB   TRP  27           HB1      TRP  27   9.320   0.988   0.308
  223   2HB   TRP  27           HB2      TRP  27   9.037   2.744   0.402
  224    HD1  TRP  27           HD1      TRP  27  11.176   4.079  -0.542
  225    HE1  TRP  27           HE1      TRP  27  13.623   3.429  -1.037
  226    HE3  TRP  27           HE3      TRP  27  11.037  -0.569   1.317
  227    HZ2  TRP  27           HZ2      TRP  27  15.356   1.192  -0.492
  228    HZ3  TRP  27           HZ3      TRP  27  13.095  -1.925   1.494
  229    HH2  TRP  27           HH2      TRP  27  15.262  -1.064   0.549
  230    H    THR  28           H        THR  28   9.579   4.228   2.994
  231    HA   THR  28           HA       THR  28  12.198   3.983   4.241
  232    HB   THR  28           HB       THR  28  12.252   6.399   4.602
  233    HG1  THR  28           HG1      THR  28  10.776   7.492   3.129
  234   1HG2  THR  28           HG21     THR  28  13.254   5.217   2.616
  235   2HG2  THR  28           HG22     THR  28  11.701   5.406   1.727
  236   3HG2  THR  28           HG23     THR  28  12.666   6.859   2.187
  237    H    ALA  29           H        ALA  29   8.781   4.070   5.451
  238    HA   ALA  29           HA       ALA  29   9.761   4.459   8.182
  239   1HB   ALA  29           HB1      ALA  29   7.463   5.227   7.442
  240   2HB   ALA  29           HB2      ALA  29   6.951   3.501   7.366
  241   3HB   ALA  29           HB3      ALA  29   7.487   4.218   8.921
  242    H    LYS  30           H        LYS  30   8.747   1.671   6.165
  243    HA   LYS  30           HA       LYS  30   9.217  -0.411   6.183
  244   1HB   LYS  30           HB1      LYS  30  11.423   0.186   7.406
  245   2HB   LYS  30           HB2      LYS  30  10.640  -0.494   8.851
  246   1HG   LYS  30           HG1      LYS  30  11.946  -2.214   7.877
  247   2HG   LYS  30           HG2      LYS  30  10.289  -2.674   7.407
  248   1HD   LYS  30           HD1      LYS  30  10.701  -1.872   5.090
  249   2HD   LYS  30           HD2      LYS  30  12.203  -1.045   5.596
  250   1HE   LYS  30           HE1      LYS  30  13.189  -3.337   6.219
  251   2HE   LYS  30           HE2      LYS  30  11.734  -4.101   5.463
  252   1HZ   LYS  30           HZ1      LYS  30  13.680  -2.273   4.129
  253   2HZ   LYS  30           HZ2      LYS  30  13.598  -3.962   3.959
  254   3HZ   LYS  30           HZ3      LYS  30  12.324  -2.989   3.398
  255    H    LYS  31           H        LYS  31   6.802   0.784   7.309
  256    HA   LYS  31           HA       LYS  31   5.586  -1.582   8.399
  257   1HB   LYS  31           HB1      LYS  31   6.388  -0.358  10.411
  258   2HB   LYS  31           HB2      LYS  31   5.661   1.165   9.835
  259   1HG   LYS  31           HG1      LYS  31   4.441   0.130  11.725
  260   2HG   LYS  31           HG2      LYS  31   3.431   0.352  10.278
  261   1HD   LYS  31           HD1      LYS  31   3.839  -2.226   9.791
  262   2HD   LYS  31           HD2      LYS  31   4.689  -2.270  11.366
  263   1HE   LYS  31           HE1      LYS  31   2.311  -3.084  11.524
  264   2HE   LYS  31           HE2      LYS  31   2.519  -1.572  12.497
  265   1HZ   LYS  31           HZ1      LYS  31   1.616  -0.324  10.648
  266   2HZ   LYS  31           HZ2      LYS  31   1.417  -1.742   9.736
  267   3HZ   LYS  31           HZ3      LYS  31   0.531  -1.522  11.168
  268    H    CYS  32           H        CYS  32   3.122  -1.095   8.465
  269    HA   CYS  32           HA       CYS  32   2.308  -0.044   5.903
  270   1HB   CYS  32           HB1      CYS  32   0.789  -1.573   8.128
  271   2HB   CYS  32           HB2      CYS  32   0.110  -1.224   6.485
  272    H    LEU  33           H        LEU  33   0.856   1.581   5.482
  273    HA   LEU  33           HA       LEU  33  -0.066   3.265   7.742
  274   1HB   LEU  33           HB1      LEU  33   0.778   4.301   4.939
  275   2HB   LEU  33           HB2      LEU  33   0.223   5.268   6.345
  276    HG   LEU  33           HG       LEU  33   2.944   3.965   5.844
  277   1HD1  LEU  33           HD11     LEU  33   2.401   6.229   4.968
  278   2HD1  LEU  33           HD12     LEU  33   1.979   6.804   6.626
  279   3HD1  LEU  33           HD13     LEU  33   3.668   6.266   6.253
  280   1HD2  LEU  33           HD21     LEU  33   1.899   5.182   8.523
  281   2HD2  LEU  33           HD22     LEU  33   2.446   3.489   8.314
  282   3HD2  LEU  33           HD23     LEU  33   3.617   4.828   8.144
  283    HA   PRO  34           HA       PRO  34  -3.923   3.066   4.953
  284   1HB   PRO  34           HB1      PRO  34  -5.599   4.602   6.403
  285   2HB   PRO  34           HB2      PRO  34  -4.978   3.067   7.095
  286   1HG   PRO  34           HG1      PRO  34  -3.974   5.903   7.723
  287   2HG   PRO  34           HG2      PRO  34  -4.356   4.577   8.889
  288   1HD   PRO  34           HD1      PRO  34  -1.786   5.230   7.730
  289   2HD   PRO  34           HD2      PRO  34  -2.198   3.650   8.562
  290    H    PHE  35           H        PHE  35  -4.796   4.172   3.546
  291    HA   PHE  35           HA       PHE  35  -4.632   6.987   3.184
  292   1HB   PHE  35           HB1      PHE  35  -3.491   7.265   1.156
  293   2HB   PHE  35           HB2      PHE  35  -2.425   6.095   1.970
  294    HD1  PHE  35           HD1      PHE  35  -3.240   3.509   1.463
  295    HD2  PHE  35           HD2      PHE  35  -4.042   6.889  -1.165
  296    HE1  PHE  35           HE1      PHE  35  -3.714   1.974  -0.423
  297    HE2  PHE  35           HE2      PHE  35  -4.339   5.336  -3.007
  298    HZ   PHE  35           HZ       PHE  35  -4.203   2.905  -2.667
  299    H    LEU  36           H        LEU  36  -6.306   7.252   1.069
  300    HA   LEU  36           HA       LEU  36  -8.252   5.085   1.143
  301   1HB   LEU  36           HB1      LEU  36  -8.642   8.167   0.773
  302   2HB   LEU  36           HB2      LEU  36  -9.792   6.901   0.359
  303    HG   LEU  36           HG       LEU  36  -9.670   6.026   2.657
  304   1HD1  LEU  36           HD11     LEU  36  -8.479   8.707   3.403
  305   2HD1  LEU  36           HD12     LEU  36  -9.312   7.550   4.529
  306   3HD1  LEU  36           HD13     LEU  36  -7.808   7.037   3.715
  307   1HD2  LEU  36           HD21     LEU  36 -11.648   7.231   1.785
  308   2HD2  LEU  36           HD22     LEU  36 -11.409   7.578   3.522
  309   3HD2  LEU  36           HD23     LEU  36 -10.926   8.812   2.306
  310    H    PHE  37           H        PHE  37  -9.139   4.679  -0.905
  311    HA   PHE  37           HA       PHE  37  -7.454   5.412  -3.301
  312   1HB   PHE  37           HB1      PHE  37  -7.082   3.064  -2.730
  313   2HB   PHE  37           HB2      PHE  37  -8.870   2.835  -2.435
  314    HD1  PHE  37           HD1      PHE  37  -7.464   4.441  -5.727
  315    HD2  PHE  37           HD2      PHE  37  -9.110   0.948  -3.731
  316    HE1  PHE  37           HE1      PHE  37  -7.890   3.390  -7.851
  317    HE2  PHE  37           HE2      PHE  37  -9.487  -0.089  -5.945
  318    HZ   PHE  37           HZ       PHE  37  -8.813   1.117  -8.003
  319    H    SER  38           H        SER  38  -8.564   6.558  -4.991
  320    HA   SER  38           HA       SER  38 -11.413   6.958  -4.653
  321   1HB   SER  38           HB1      SER  38  -9.519   7.984  -6.854
  322   2HB   SER  38           HB2      SER  38 -11.215   8.533  -6.546
  323    HG   SER  38           HG       SER  38 -10.637   9.259  -4.578
  324    H    GLY  39           H        GLY  39  -9.445   4.976  -6.841
  325   1HA   GLY  39           HA1      GLY  39 -10.606   3.075  -7.855
  326   2HA   GLY  39           HA2      GLY  39 -11.852   4.169  -8.379
  327    H    CYS  40           H        CYS  40 -10.991   6.155  -9.732
  328    HA   CYS  40           HA       CYS  40  -9.378   5.031 -11.904
  329   1HB   CYS  40           HB1      CYS  40 -10.254   6.623 -13.383
  330   2HB   CYS  40           HB2      CYS  40 -11.605   5.901 -12.490
  331    H    GLY  41           H        GLY  41  -7.293   5.566 -12.233
  332   1HA   GLY  41           HA1      GLY  41  -5.496   7.209 -12.291
  333   2HA   GLY  41           HA2      GLY  41  -6.239   8.064 -10.931
  334    H    GLY  42           H        GLY  42  -6.688   5.155  -9.732
  335   1HA   GLY  42           HA1      GLY  42  -4.140   4.985  -8.345
  336   2HA   GLY  42           HA2      GLY  42  -5.605   3.958  -8.142
  337    H    ASN  43           H        ASN  43  -3.027   2.740  -7.993
  338    HA   ASN  43           HA       ASN  43  -3.267   0.892 -10.182
  339   1HB   ASN  43           HB1      ASN  43  -0.905   1.109 -11.118
  340   2HB   ASN  43           HB2      ASN  43  -2.005   2.467 -11.448
  341   1HD2  ASN  43           HD21     ASN  43   0.960   3.460  -8.779
  342   2HD2  ASN  43           HD22     ASN  43  -0.024   2.037  -8.531
  343    H    ALA  44           H        ALA  44  -3.121  -1.050  -9.449
  344    HA   ALA  44           HA       ALA  44  -2.795  -2.827  -8.297
  345   1HB   ALA  44           HB1      ALA  44  -1.161  -2.694 -10.194
  346   2HB   ALA  44           HB2      ALA  44   0.147  -2.294  -9.034
  347   3HB   ALA  44           HB3      ALA  44  -0.712  -3.887  -8.937
  348    H    ASN  45           H        ASN  45  -0.701  -0.473  -6.660
  349    HA   ASN  45           HA       ASN  45  -0.010  -2.390  -4.533
  350   1HB   ASN  45           HB1      ASN  45   1.715  -0.688  -5.546
  351   2HB   ASN  45           HB2      ASN  45   0.794   0.614  -4.780
  352   1HD2  ASN  45           HD21     ASN  45   2.960   0.012  -2.072
  353   2HD2  ASN  45           HD22     ASN  45   2.160   1.113  -3.136
  354    H    ARG  46           H        ARG  46  -2.425  -2.520  -3.983
  355    HA   ARG  46           HA       ARG  46  -2.893  -0.789  -1.722
  356   1HB   ARG  46           HB1      ARG  46  -5.194  -0.090  -2.265
  357   2HB   ARG  46           HB2      ARG  46  -3.929   0.571  -3.309
  358   1HG   ARG  46           HG1      ARG  46  -4.588  -1.566  -4.903
  359   2HG   ARG  46           HG2      ARG  46  -6.129  -1.336  -4.005
  360   1HD   ARG  46           HD1      ARG  46  -6.176  -0.025  -6.148
  361   2HD   ARG  46           HD2      ARG  46  -6.164   1.041  -4.669
  362    HE   ARG  46           HE       ARG  46  -3.509   0.338  -5.907
  363   1HH1  ARG  46           HH11     ARG  46  -5.853   3.135  -5.724
  364   2HH1  ARG  46           HH12     ARG  46  -4.490   4.199  -5.491
  365   1HH2  ARG  46           HH21     ARG  46  -2.071   1.866  -5.686
  366   2HH2  ARG  46           HH22     ARG  46  -2.510   3.538  -5.668
  367    H    PHE  47           H        PHE  47  -3.662  -1.772  -0.094
  368    HA   PHE  47           HA       PHE  47  -4.257  -4.649  -0.309
  369   1HB   PHE  47           HB1      PHE  47  -3.285  -2.912   2.092
  370   2HB   PHE  47           HB2      PHE  47  -3.241  -4.704   1.982
  371    HD1  PHE  47           HD1      PHE  47  -1.991  -5.211  -0.771
  372    HD2  PHE  47           HD2      PHE  47  -1.071  -2.176   2.169
  373    HE1  PHE  47           HE1      PHE  47   0.317  -4.979  -1.666
  374    HE2  PHE  47           HE2      PHE  47   1.214  -2.083   1.282
  375    HZ   PHE  47           HZ       PHE  47   1.890  -3.404  -0.665
  376    H    GLN  48           H        GLN  48  -6.193  -5.517   0.670
  377    HA   GLN  48           HA       GLN  48  -8.321  -3.662   1.035
  378   1HB   GLN  48           HB1      GLN  48  -9.800  -5.466   0.936
  379   2HB   GLN  48           HB2      GLN  48  -8.453  -5.948  -0.118
  380   1HG   GLN  48           HG1      GLN  48  -9.161  -6.986   2.729
  381   2HG   GLN  48           HG2      GLN  48  -9.378  -7.844   1.186
  382   1HE2  GLN  48           HE21     GLN  48  -5.957  -8.868   0.949
  383   2HE2  GLN  48           HE22     GLN  48  -7.258  -8.327  -0.059
  384    H    THR  49           H        THR  49  -6.406  -5.578   3.312
  385    HA   THR  49           HA       THR  49  -7.586  -4.141   5.604
  386    HB   THR  49           HB       THR  49  -7.072  -6.096   7.066
  387    HG1  THR  49           HG1      THR  49  -6.623  -7.537   4.624
  388   1HG2  THR  49           HG21     THR  49  -9.352  -5.816   6.140
  389   2HG2  THR  49           HG22     THR  49  -8.926  -6.870   4.749
  390   3HG2  THR  49           HG23     THR  49  -8.908  -7.539   6.414
  391    H    ILE  50           H        ILE  50  -5.869  -4.448   7.511
  392    HA   ILE  50           HA       ILE  50  -3.379  -3.277   6.767
  393    HB   ILE  50           HB       ILE  50  -4.770  -2.594   8.645
  394   1HG1  ILE  50           HG11     ILE  50  -2.002  -3.503   9.589
  395   2HG1  ILE  50           HG12     ILE  50  -2.353  -2.077   8.553
  396   1HG2  ILE  50           HG21     ILE  50  -5.621  -4.896   9.355
  397   2HG2  ILE  50           HG22     ILE  50  -3.999  -5.221  10.058
  398   3HG2  ILE  50           HG23     ILE  50  -5.005  -3.891  10.704
  399   1HD1  ILE  50           HD11     ILE  50  -3.851  -1.148  10.381
  400   2HD1  ILE  50           HD12     ILE  50  -3.345  -2.509  11.454
  401   3HD1  ILE  50           HD13     ILE  50  -2.130  -1.309  10.875
  402    H    GLY  51           H        GLY  51  -4.424  -6.571   7.103
  403   1HA   GLY  51           HA1      GLY  51  -1.724  -7.545   7.751
  404   2HA   GLY  51           HA2      GLY  51  -3.232  -8.465   7.715
  405    H    GLU  52           H        GLU  52  -3.447  -6.896   4.885
  406    HA   GLU  52           HA       GLU  52  -2.154  -8.976   3.279
  407   1HB   GLU  52           HB1      GLU  52  -4.424  -8.266   2.794
  408   2HB   GLU  52           HB2      GLU  52  -3.953  -6.563   2.623
  409   1HG   GLU  52           HG1      GLU  52  -4.315  -7.552   0.352
  410   2HG   GLU  52           HG2      GLU  52  -2.583  -7.155   0.509
  411    H    CYS  53           H        CYS  53  -1.491  -5.849   4.431
  412    HA   CYS  53           HA       CYS  53   0.171  -4.757   2.476
  413   1HB   CYS  53           HB1      CYS  53  -1.032  -3.441   4.363
  414   2HB   CYS  53           HB2      CYS  53  -0.157  -4.321   5.539
  415    H    ARG  54           H        ARG  54   1.090  -6.122   5.512
  416    HA   ARG  54           HA       ARG  54   3.901  -6.192   5.283
  417   1HB   ARG  54           HB1      ARG  54   3.814  -7.054   7.450
  418   2HB   ARG  54           HB2      ARG  54   2.566  -5.821   7.222
  419   1HG   ARG  54           HG1      ARG  54   1.014  -7.962   6.616
  420   2HG   ARG  54           HG2      ARG  54   2.266  -8.841   7.546
  421   1HD   ARG  54           HD1      ARG  54   1.926  -7.134   9.437
  422   2HD   ARG  54           HD2      ARG  54   0.586  -6.413   8.456
  423    HE   ARG  54           HE       ARG  54  -0.366  -8.984   8.533
  424   1HH1  ARG  54           HH11     ARG  54   1.507  -7.692  11.261
  425   2HH1  ARG  54           HH12     ARG  54   1.014  -9.014  12.265
  426   1HH2  ARG  54           HH21     ARG  54  -0.841 -10.634   9.971
  427   2HH2  ARG  54           HH22     ARG  54  -0.332 -10.487  11.615
  428    H    LYS  55           H        LYS  55   1.709  -8.588   3.985
  429    HA   LYS  55           HA       LYS  55   3.355 -10.945   4.182
  430   1HB   LYS  55           HB1      LYS  55   1.004  -9.938   2.456
  431   2HB   LYS  55           HB2      LYS  55   1.753 -11.504   1.987
  432   1HG   LYS  55           HG1      LYS  55   0.641 -11.094   4.797
  433   2HG   LYS  55           HG2      LYS  55  -0.332 -11.620   3.384
  434   1HD   LYS  55           HD1      LYS  55   1.123 -13.588   3.017
  435   2HD   LYS  55           HD2      LYS  55   2.243 -12.989   4.282
  436   1HE   LYS  55           HE1      LYS  55   0.920 -14.742   5.295
  437   2HE   LYS  55           HE2      LYS  55   0.357 -13.172   5.999
  438   1HZ   LYS  55           HZ1      LYS  55  -0.917 -14.672   3.751
  439   2HZ   LYS  55           HZ2      LYS  55  -1.468 -14.602   5.357
  440   3HZ   LYS  55           HZ3      LYS  55  -1.461 -13.198   4.398
  441    H    LYS  56           H        LYS  56   2.752  -8.716   1.545
  442    HA   LYS  56           HA       LYS  56   4.606  -9.575  -0.394
  443   1HB   LYS  56           HB1      LYS  56   2.658  -7.318   0.059
  444   2HB   LYS  56           HB2      LYS  56   3.882  -7.052  -1.202
  445   1HG   LYS  56           HG1      LYS  56   3.360  -9.051  -2.397
  446   2HG   LYS  56           HG2      LYS  56   2.104  -9.520  -1.202
  447   1HD   LYS  56           HD1      LYS  56   1.892  -6.809  -2.820
  448   2HD   LYS  56           HD2      LYS  56   1.363  -8.415  -3.415
  449   1HE   LYS  56           HE1      LYS  56  -0.103  -8.825  -1.438
  450   2HE   LYS  56           HE2      LYS  56   0.364  -7.238  -0.723
  451   1HZ   LYS  56           HZ1      LYS  56  -0.979  -7.666  -3.338
  452   2HZ   LYS  56           HZ2      LYS  56  -1.705  -7.139  -1.895
  453   3HZ   LYS  56           HZ3      LYS  56  -0.548  -6.166  -2.667
  454    H    CYS  57           H        CYS  57   4.913  -7.454   2.401
  455    HA   CYS  57           HA       CYS  57   7.487  -6.378   1.326
  456   1HB   CYS  57           HB1      CYS  57   5.180  -4.987   2.823
  457   2HB   CYS  57           HB2      CYS  57   6.796  -4.217   2.629
  458    H    LEU  58           H        LEU  58   6.588  -8.340   4.032
  459    HA   LEU  58           HA       LEU  58   9.130  -7.340   5.259
  460   1HB   LEU  58           HB1      LEU  58   6.482  -7.645   6.652
  461   2HB   LEU  58           HB2      LEU  58   7.963  -8.042   7.594
  462    HG   LEU  58           HG       LEU  58   7.512  -5.389   6.216
  463   1HD1  LEU  58           HD11     LEU  58   5.877  -5.746   8.134
  464   2HD1  LEU  58           HD12     LEU  58   7.230  -6.231   9.206
  465   3HD1  LEU  58           HD13     LEU  58   7.135  -4.535   8.601
  466   1HD2  LEU  58           HD21     LEU  58   9.644  -6.288   8.245
  467   2HD2  LEU  58           HD22     LEU  58   9.923  -5.777   6.536
  468   3HD2  LEU  58           HD23     LEU  58   9.329  -4.586   7.744
  469    H    GLY  59           H        GLY  59   7.316  -9.955   4.054
  470   1HA   GLY  59           HA1      GLY  59   7.560 -12.104   3.906
  471   2HA   GLY  59           HA2      GLY  59   9.113 -12.025   4.844
  472    H    LYS  60           H        LYS  60   5.529 -11.635   5.298
  473    HA   LYS  60           HA       LYS  60   5.557 -13.454   7.540
  474   1HB   LYS  60           HB1      LYS  60   4.390 -11.693   8.994
  475   2HB   LYS  60           HB2      LYS  60   6.178 -11.564   8.826
  476   1HG   LYS  60           HG1      LYS  60   5.875  -9.767   7.047
  477   2HG   LYS  60           HG2      LYS  60   4.121  -9.825   7.345
  478   1HD   LYS  60           HD1      LYS  60   6.382  -9.002   9.271
  479   2HD   LYS  60           HD2      LYS  60   5.190  -7.965   8.415
  480   1HE   LYS  60           HE1      LYS  60   3.343  -9.145   9.828
  481   2HE   LYS  60           HE2      LYS  60   4.663  -9.972  10.742
  482   1HZ   LYS  60           HZ1      LYS  60   4.294  -7.032  10.467
  483   2HZ   LYS  60           HZ2      LYS  60   3.919  -7.976  11.827
  484   3HZ   LYS  60           HZ3      LYS  60   5.535  -7.808  11.329
   
  No H/Q in entry =         484
  Start of MODEL   11
    1    H    TRP   1           H        TRP   1  12.971 -12.464   3.925
    2    HA   TRP   1           HA       TRP   1  11.528 -12.246   1.629
    3   1HB   TRP   1           HB1      TRP   1   9.470 -11.875   2.654
    4   2HB   TRP   1           HB2      TRP   1  10.031 -10.908   4.026
    5    HD1  TRP   1           HD1      TRP   1   8.411 -10.294   0.667
    6    HE1  TRP   1           HE1      TRP   1   8.239  -7.896   0.328
    7    HE3  TRP   1           HE3      TRP   1  11.535  -8.796   4.441
    8    HZ2  TRP   1           HZ2      TRP   1   9.563  -5.499   1.269
    9    HZ3  TRP   1           HZ3      TRP   1  11.981  -6.393   4.703
   10    HH2  TRP   1           HH2      TRP   1  10.958  -4.745   3.135
   11    H    GLN   2           H        GLN   2  12.253 -10.338   0.446
   12    HA   GLN   2           HA       GLN   2  14.089  -8.471   1.649
   13   1HB   GLN   2           HB1      GLN   2  14.651 -10.142  -0.904
   14   2HB   GLN   2           HB2      GLN   2  15.506  -8.643  -0.435
   15   1HG   GLN   2           HG1      GLN   2  16.278  -9.750   1.714
   16   2HG   GLN   2           HG2      GLN   2  15.567 -11.304   1.154
   17   1HE2  GLN   2           HE21     GLN   2  18.093 -11.515  -1.533
   18   2HE2  GLN   2           HE22     GLN   2  16.368 -11.741  -1.357
   19    HA   PRO   3           HA       PRO   3  10.898  -6.494  -0.414
   20   1HB   PRO   3           HB1      PRO   3  12.110  -3.885  -1.202
   21   2HB   PRO   3           HB2      PRO   3  11.097  -4.390   0.220
   22   1HG   PRO   3           HG1      PRO   3  13.983  -3.873   0.209
   23   2HG   PRO   3           HG2      PRO   3  12.964  -4.435   1.567
   24   1HD   PRO   3           HD1      PRO   3  14.764  -6.083  -0.182
   25   2HD   PRO   3           HD2      PRO   3  14.106  -6.406   1.475
   26    HA   PRO   4           HA       PRO   4  11.293  -7.041  -4.968
   27   1HB   PRO   4           HB1      PRO   4   8.795  -8.120  -5.385
   28   2HB   PRO   4           HB2      PRO   4   9.879  -8.930  -4.231
   29   1HG   PRO   4           HG1      PRO   4   7.848  -6.865  -3.453
   30   2HG   PRO   4           HG2      PRO   4   8.043  -8.606  -2.838
   31   1HD   PRO   4           HD1      PRO   4   9.009  -6.382  -1.569
   32   2HD   PRO   4           HD2      PRO   4   9.852  -8.001  -1.594
   33    H    TRP   5           H        TRP   5   8.002  -6.358  -5.518
   34    HA   TRP   5           HA       TRP   5   8.553  -3.727  -6.619
   35   1HB   TRP   5           HB1      TRP   5   6.306  -3.763  -7.740
   36   2HB   TRP   5           HB2      TRP   5   7.538  -4.920  -8.238
   37    HD1  TRP   5           HD1      TRP   5   7.049  -7.398  -8.219
   38    HE1  TRP   5           HE1      TRP   5   4.753  -8.753  -8.074
   39    HE3  TRP   5           HE3      TRP   5   3.752  -4.041  -6.194
   40    HZ2  TRP   5           HZ2      TRP   5   2.027  -8.121  -8.223
   41    HZ3  TRP   5           HZ3      TRP   5   1.470  -4.172  -6.653
   42    HH2  TRP   5           HH2      TRP   5   0.520  -6.247  -7.624
   43    H    TYR   6           H        TYR   6   5.721  -4.932  -4.840
   44    HA   TYR   6           HA       TYR   6   4.184  -2.941  -4.260
   45   1HB   TYR   6           HB1      TYR   6   4.705  -4.765  -1.837
   46   2HB   TYR   6           HB2      TYR   6   3.186  -4.424  -2.731
   47    HD1  TYR   6           HD1      TYR   6   2.752  -5.873  -4.831
   48    HD2  TYR   6           HD2      TYR   6   6.040  -6.487  -2.208
   49    HE1  TYR   6           HE1      TYR   6   2.910  -8.207  -5.628
   50    HE2  TYR   6           HE2      TYR   6   6.125  -8.966  -3.014
   51    HH   TYR   6           HH       TYR   6   3.940 -10.201  -5.386
   52    H    CYS   7           H        CYS   7   6.728  -3.617  -1.972
   53    HA   CYS   7           HA       CYS   7   6.133  -1.872  -0.086
   54   1HB   CYS   7           HB1      CYS   7   9.020  -2.815  -0.657
   55   2HB   CYS   7           HB2      CYS   7   8.198  -2.558   0.919
   56    H    LYS   8           H        LYS   8   8.026  -1.238  -2.925
   57    HA   LYS   8           HA       LYS   8   8.875   1.469  -2.108
   58   1HB   LYS   8           HB1      LYS   8  10.533  -0.423  -2.296
   59   2HB   LYS   8           HB2      LYS   8   9.899  -0.847  -3.921
   60   1HG   LYS   8           HG1      LYS   8  10.859   1.311  -4.743
   61   2HG   LYS   8           HG2      LYS   8  11.562   1.598  -3.096
   62   1HD   LYS   8           HD1      LYS   8  12.622  -0.752  -3.255
   63   2HD   LYS   8           HD2      LYS   8  12.000  -0.879  -4.925
   64   1HE   LYS   8           HE1      LYS   8  14.039   1.278  -3.977
   65   2HE   LYS   8           HE2      LYS   8  14.466  -0.259  -4.826
   66   1HZ   LYS   8           HZ1      LYS   8  13.165   0.467  -6.698
   67   2HZ   LYS   8           HZ2      LYS   8  12.752   1.911  -5.904
   68   3HZ   LYS   8           HZ3      LYS   8  14.372   1.596  -6.309
   69    H    GLU   9           H        GLU   9   6.186   0.226  -3.426
   70    HA   GLU   9           HA       GLU   9   6.385   1.088  -6.161
   71   1HB   GLU   9           HB1      GLU   9   5.463  -1.018  -5.507
   72   2HB   GLU   9           HB2      GLU   9   4.081  -0.196  -4.792
   73   1HG   GLU   9           HG1      GLU   9   3.623  -0.997  -7.069
   74   2HG   GLU   9           HG2      GLU   9   3.585   0.789  -7.200
   75    HA   PRO  10           HA       PRO  10   4.952   5.114  -5.072
   76   1HB   PRO  10           HB1      PRO  10   3.918   5.304  -7.962
   77   2HB   PRO  10           HB2      PRO  10   4.872   6.527  -7.023
   78   1HG   PRO  10           HG1      PRO  10   6.134   4.898  -8.758
   79   2HG   PRO  10           HG2      PRO  10   6.843   5.040  -7.097
   80   1HD   PRO  10           HD1      PRO  10   4.905   2.890  -8.121
   81   2HD   PRO  10           HD2      PRO  10   6.509   2.623  -7.330
   82    H    VAL  11           H        VAL  11   3.282   5.629  -3.701
   83    HA   VAL  11           HA       VAL  11   0.670   4.624  -3.992
   84    HB   VAL  11           HB       VAL  11   1.758   4.944  -1.868
   85   1HG1  VAL  11           HG11     VAL  11   2.874   7.162  -2.225
   86   2HG1  VAL  11           HG12     VAL  11   1.268   7.980  -2.236
   87   3HG1  VAL  11           HG13     VAL  11   1.837   7.146  -0.759
   88   1HG2  VAL  11           HG21     VAL  11  -1.016   6.312  -2.232
   89   2HG2  VAL  11           HG22     VAL  11  -0.655   4.579  -1.962
   90   3HG2  VAL  11           HG23     VAL  11  -0.305   5.771  -0.660
   91    H    ARG  12           H        ARG  12  -1.276   5.486  -4.384
   92    HA   ARG  12           HA       ARG  12  -1.470   8.053  -5.809
   93   1HB   ARG  12           HB1      ARG  12  -2.266   5.168  -6.584
   94   2HB   ARG  12           HB2      ARG  12  -3.092   6.536  -7.336
   95   1HG   ARG  12           HG1      ARG  12  -0.160   5.867  -7.497
   96   2HG   ARG  12           HG2      ARG  12  -1.394   5.731  -8.800
   97   1HD   ARG  12           HD1      ARG  12  -0.292   8.360  -7.585
   98   2HD   ARG  12           HD2      ARG  12  -0.047   7.706  -9.246
   99    HE   ARG  12           HE       ARG  12  -2.568   7.900  -9.597
  100   1HH1  ARG  12           HH11     ARG  12  -1.365   9.949  -6.927
  101   2HH1  ARG  12           HH12     ARG  12  -2.756  10.951  -7.020
  102   1HH2  ARG  12           HH21     ARG  12  -4.137   9.377  -9.685
  103   2HH2  ARG  12           HH22     ARG  12  -4.258  10.610  -8.509
  104    H    ILE  13           H        ILE  13  -4.028   7.764  -6.489
  105    HA   ILE  13           HA       ILE  13  -5.778   6.884  -4.519
  106    HB   ILE  13           HB       ILE  13  -5.001   8.907  -3.531
  107   1HG1  ILE  13           HG11     ILE  13  -7.978   9.010  -4.295
  108   2HG1  ILE  13           HG12     ILE  13  -7.166   7.732  -3.319
  109   1HG2  ILE  13           HG21     ILE  13  -4.675  10.391  -5.449
  110   2HG2  ILE  13           HG22     ILE  13  -6.481  10.456  -5.698
  111   3HG2  ILE  13           HG23     ILE  13  -5.745  11.097  -4.191
  112   1HD1  ILE  13           HD11     ILE  13  -6.529   9.305  -1.579
  113   2HD1  ILE  13           HD12     ILE  13  -7.264  10.702  -2.487
  114   3HD1  ILE  13           HD13     ILE  13  -8.319   9.388  -1.806
  115    H    GLY  14           H        GLY  14  -5.117   8.593  -7.563
  116   1HA   GLY  14           HA1      GLY  14  -6.212   7.988  -9.569
  117   2HA   GLY  14           HA2      GLY  14  -7.724   7.623  -8.679
  118    H    SER  15           H        SER  15  -8.288   9.612  -7.198
  119    HA   SER  15           HA       SER  15  -8.726  11.659  -6.767
  120   1HB   SER  15           HB1      SER  15  -7.173  12.657  -9.182
  121   2HB   SER  15           HB2      SER  15  -8.080  13.704  -8.022
  122    HG   SER  15           HG       SER  15  -5.968  13.508  -7.360
  123    H    CYS  16           H        CYS  16 -10.472   9.986  -7.490
  124    HA   CYS  16           HA       CYS  16 -12.298  11.199  -9.465
  125   1HB   CYS  16           HB1      CYS  16 -11.710   8.669  -9.055
  126   2HB   CYS  16           HB2      CYS  16 -12.986   8.646  -7.876
  127    H    LYS  17           H        LYS  17 -14.554  10.251  -8.259
  128    HA   LYS  17           HA       LYS  17 -15.222  12.616  -6.713
  129   1HB   LYS  17           HB1      LYS  17 -17.000  10.473  -7.967
  130   2HB   LYS  17           HB2      LYS  17 -17.561  12.052  -7.326
  131   1HG   LYS  17           HG1      LYS  17 -15.507  11.715  -9.639
  132   2HG   LYS  17           HG2      LYS  17 -17.233  11.880  -9.890
  133   1HD   LYS  17           HD1      LYS  17 -15.426  13.974  -8.497
  134   2HD   LYS  17           HD2      LYS  17 -15.929  13.999 -10.216
  135   1HE   LYS  17           HE1      LYS  17 -17.892  14.263  -7.835
  136   2HE   LYS  17           HE2      LYS  17 -17.251  15.602  -8.861
  137   1HZ   LYS  17           HZ1      LYS  17 -18.241  14.565 -10.778
  138   2HZ   LYS  17           HZ2      LYS  17 -18.845  13.291  -9.831
  139   3HZ   LYS  17           HZ3      LYS  17 -19.404  14.874  -9.579
  140    H    LYS  18           H        LYS  18 -14.529   9.338  -5.601
  141    HA   LYS  18           HA       LYS  18 -15.464  10.209  -2.999
  142   1HB   LYS  18           HB1      LYS  18 -17.506   9.096  -3.854
  143   2HB   LYS  18           HB2      LYS  18 -16.582   7.614  -4.250
  144   1HG   LYS  18           HG1      LYS  18 -16.187   7.162  -1.866
  145   2HG   LYS  18           HG2      LYS  18 -16.698   8.814  -1.409
  146   1HD   LYS  18           HD1      LYS  18 -19.047   8.296  -2.017
  147   2HD   LYS  18           HD2      LYS  18 -18.544   6.718  -2.696
  148   1HE   LYS  18           HE1      LYS  18 -17.802   5.974  -0.374
  149   2HE   LYS  18           HE2      LYS  18 -18.477   7.512   0.308
  150   1HZ   LYS  18           HZ1      LYS  18 -19.972   5.472  -1.241
  151   2HZ   LYS  18           HZ2      LYS  18 -20.018   5.714   0.439
  152   3HZ   LYS  18           HZ3      LYS  18 -20.606   6.915  -0.608
  153    H    GLN  19           H        GLN  19 -14.232   9.374  -1.372
  154    HA   GLN  19           HA       GLN  19 -11.892   7.778  -2.169
  155   1HB   GLN  19           HB1      GLN  19 -12.045   9.242   0.576
  156   2HB   GLN  19           HB2      GLN  19 -10.672   8.698  -0.396
  157   1HG   GLN  19           HG1      GLN  19 -10.702  11.031  -0.342
  158   2HG   GLN  19           HG2      GLN  19 -10.757  10.343  -2.007
  159   1HE2  GLN  19           HE21     GLN  19 -13.194  12.863  -2.607
  160   2HE2  GLN  19           HE22     GLN  19 -11.580  12.265  -2.929
  161    H    PHE  20           H        PHE  20 -11.837   5.593  -1.651
  162    HA   PHE  20           HA       PHE  20 -13.604   4.570   0.488
  163   1HB   PHE  20           HB1      PHE  20 -12.269   2.821  -1.675
  164   2HB   PHE  20           HB2      PHE  20 -13.763   2.503  -0.741
  165    HD1  PHE  20           HD1      PHE  20 -15.752   4.364  -1.270
  166    HD2  PHE  20           HD2      PHE  20 -12.479   3.418  -3.953
  167    HE1  PHE  20           HE1      PHE  20 -17.090   5.066  -3.209
  168    HE2  PHE  20           HE2      PHE  20 -13.794   4.143  -5.836
  169    HZ   PHE  20           HZ       PHE  20 -16.137   4.985  -5.494
  170    H    SER  21           H        SER  21 -12.398   3.532   2.266
  171    HA   SER  21           HA       SER  21  -9.654   4.241   2.435
  172   1HB   SER  21           HB1      SER  21 -11.257   4.098   4.415
  173   2HB   SER  21           HB2      SER  21 -11.001   2.327   4.425
  174    HG   SER  21           HG       SER  21  -8.644   2.990   4.554
  175    H    SER  22           H        SER  22  -7.692   3.198   2.445
  176    HA   SER  22           HA       SER  22  -7.540   0.320   1.833
  177   1HB   SER  22           HB1      SER  22  -5.670   0.926   0.107
  178   2HB   SER  22           HB2      SER  22  -7.243   1.492  -0.386
  179    HG   SER  22           HG       SER  22  -5.510   3.163   1.064
  180    H    PHE  23           H        PHE  23  -4.938  -0.013   1.645
  181    HA   PHE  23           HA       PHE  23  -3.409   1.392   3.690
  182   1HB   PHE  23           HB1      PHE  23  -3.538  -1.747   3.730
  183   2HB   PHE  23           HB2      PHE  23  -2.389  -0.678   4.524
  184    HD1  PHE  23           HD1      PHE  23  -2.909   0.616   6.456
  185    HD2  PHE  23           HD2      PHE  23  -5.963  -1.693   4.517
  186    HE1  PHE  23           HE1      PHE  23  -4.361   0.908   8.434
  187    HE2  PHE  23           HE2      PHE  23  -7.427  -1.417   6.502
  188    HZ   PHE  23           HZ       PHE  23  -6.621  -0.144   8.476
  189    H    TYR  24           H        TYR  24  -1.139   1.476   3.312
  190    HA   TYR  24           HA       TYR  24  -0.037  -0.011   1.075
  191   1HB   TYR  24           HB1      TYR  24   0.938   1.677  -0.194
  192   2HB   TYR  24           HB2      TYR  24  -0.720   2.248   0.082
  193    HD1  TYR  24           HD1      TYR  24  -1.071   4.045   1.967
  194    HD2  TYR  24           HD2      TYR  24   2.814   2.966   0.448
  195    HE1  TYR  24           HE1      TYR  24  -0.184   6.112   2.872
  196    HE2  TYR  24           HE2      TYR  24   3.751   5.089   1.460
  197    HH   TYR  24           HH       TYR  24   1.673   7.487   3.018
  198    H    PHE  25           H        PHE  25   2.475   0.078   1.150
  199    HA   PHE  25           HA       PHE  25   3.351  -0.038   3.968
  200   1HB   PHE  25           HB1      PHE  25   3.462  -2.086   2.348
  201   2HB   PHE  25           HB2      PHE  25   4.848  -1.291   1.552
  202    HD1  PHE  25           HD1      PHE  25   6.964  -0.930   2.970
  203    HD2  PHE  25           HD2      PHE  25   3.688  -3.304   4.403
  204    HE1  PHE  25           HE1      PHE  25   8.328  -1.914   4.845
  205    HE2  PHE  25           HE2      PHE  25   4.856  -3.951   6.353
  206    HZ   PHE  25           HZ       PHE  25   7.282  -3.163   6.601
  207    H    LYS  26           H        LYS  26   4.819   1.657   4.766
  208    HA   LYS  26           HA       LYS  26   5.620   3.617   2.894
  209   1HB   LYS  26           HB1      LYS  26   4.673   4.368   4.743
  210   2HB   LYS  26           HB2      LYS  26   5.853   3.573   5.866
  211   1HG   LYS  26           HG1      LYS  26   7.601   5.204   4.582
  212   2HG   LYS  26           HG2      LYS  26   6.153   5.367   3.505
  213   1HD   LYS  26           HD1      LYS  26   4.923   6.246   5.233
  214   2HD   LYS  26           HD2      LYS  26   6.360   6.383   6.352
  215   1HE   LYS  26           HE1      LYS  26   5.829   7.452   3.570
  216   2HE   LYS  26           HE2      LYS  26   5.850   8.546   5.045
  217   1HZ   LYS  26           HZ1      LYS  26   8.195   7.076   3.939
  218   2HZ   LYS  26           HZ2      LYS  26   7.923   8.748   3.814
  219   3HZ   LYS  26           HZ3      LYS  26   8.190   8.042   5.336
  220    H    TRP  27           H        TRP  27   7.480   2.917   1.655
  221    HA   TRP  27           HA       TRP  27   9.337   1.054   2.184
  222   1HB   TRP  27           HB1      TRP  27   8.914   1.880  -0.037
  223   2HB   TRP  27           HB2      TRP  27   9.202   3.531   0.385
  224    HD1  TRP  27           HD1      TRP  27  11.274   4.402  -0.734
  225    HE1  TRP  27           HE1      TRP  27  13.656   3.466  -1.289
  226    HE3  TRP  27           HE3      TRP  27  10.625  -0.246   0.987
  227    HZ2  TRP  27           HZ2      TRP  27  15.099   1.051  -0.821
  228    HZ3  TRP  27           HZ3      TRP  27  12.500  -1.898   0.947
  229    HH2  TRP  27           HH2      TRP  27  14.718  -1.248   0.034
  230    H    THR  28           H        THR  28   9.770   4.538   2.875
  231    HA   THR  28           HA       THR  28  12.412   4.104   3.970
  232    HB   THR  28           HB       THR  28  12.222   6.725   4.323
  233    HG1  THR  28           HG1      THR  28   9.996   6.918   3.937
  234   1HG2  THR  28           HG21     THR  28  12.190   5.372   1.557
  235   2HG2  THR  28           HG22     THR  28  12.802   7.023   1.937
  236   3HG2  THR  28           HG23     THR  28  13.625   5.578   2.626
  237    H    ALA  29           H        ALA  29   9.412   3.570   5.314
  238    HA   ALA  29           HA       ALA  29  10.307   4.472   8.023
  239   1HB   ALA  29           HB1      ALA  29   8.137   5.446   7.309
  240   2HB   ALA  29           HB2      ALA  29   7.455   3.794   7.102
  241   3HB   ALA  29           HB3      ALA  29   7.953   4.375   8.735
  242    H    LYS  30           H        LYS  30   9.036   1.718   6.134
  243    HA   LYS  30           HA       LYS  30   9.384  -0.408   6.275
  244   1HB   LYS  30           HB1      LYS  30  11.585   0.136   7.563
  245   2HB   LYS  30           HB2      LYS  30  10.719  -0.471   8.997
  246   1HG   LYS  30           HG1      LYS  30  11.931  -2.312   8.120
  247   2HG   LYS  30           HG2      LYS  30  10.272  -2.639   7.542
  248   1HD   LYS  30           HD1      LYS  30  10.925  -1.654   5.279
  249   2HD   LYS  30           HD2      LYS  30  12.535  -1.240   5.953
  250   1HE   LYS  30           HE1      LYS  30  13.024  -3.682   6.323
  251   2HE   LYS  30           HE2      LYS  30  11.426  -4.083   5.571
  252   1HZ   LYS  30           HZ3      LYS  30  12.182  -2.949   3.563
  253   2HZ   LYS  30           HZ1      LYS  30  13.668  -2.569   4.293
  254   3HZ   LYS  30           HZ2      LYS  30  13.257  -4.190   3.996
  255    H    LYS  31           H        LYS  31   6.998   0.983   7.255
  256    HA   LYS  31           HA       LYS  31   5.690  -1.216   8.618
  257   1HB   LYS  31           HB1      LYS  31   6.577   0.347  10.398
  258   2HB   LYS  31           HB2      LYS  31   5.737   1.720   9.637
  259   1HG   LYS  31           HG1      LYS  31   3.535   0.634  10.224
  260   2HG   LYS  31           HG2      LYS  31   4.434  -0.740  11.001
  261   1HD   LYS  31           HD1      LYS  31   5.427   0.859  12.639
  262   2HD   LYS  31           HD2      LYS  31   4.663   2.230  11.767
  263   1HE   LYS  31           HE1      LYS  31   3.350   1.814  13.764
  264   2HE   LYS  31           HE2      LYS  31   2.360   1.314  12.334
  265   1HZ   LYS  31           HZ1      LYS  31   3.929  -0.479  14.124
  266   2HZ   LYS  31           HZ2      LYS  31   2.244  -0.262  14.128
  267   3HZ   LYS  31           HZ3      LYS  31   3.007  -0.968  12.784
  268    H    CYS  32           H        CYS  32   3.324  -1.011   8.407
  269    HA   CYS  32           HA       CYS  32   2.434   0.049   5.884
  270   1HB   CYS  32           HB1      CYS  32   0.898  -1.460   8.132
  271   2HB   CYS  32           HB2      CYS  32   0.247  -1.225   6.456
  272    H    LEU  33           H        LEU  33   0.967   1.646   5.460
  273    HA   LEU  33           HA       LEU  33  -0.050   3.270   7.695
  274   1HB   LEU  33           HB1      LEU  33   0.786   4.463   4.984
  275   2HB   LEU  33           HB2      LEU  33   0.227   5.287   6.345
  276    HG   LEU  33           HG       LEU  33   3.014   4.121   6.031
  277   1HD1  LEU  33           HD11     LEU  33   1.690   6.916   6.293
  278   2HD1  LEU  33           HD12     LEU  33   3.435   6.617   6.568
  279   3HD1  LEU  33           HD13     LEU  33   2.722   6.245   4.958
  280   1HD2  LEU  33           HD21     LEU  33   1.488   5.373   8.407
  281   2HD2  LEU  33           HD22     LEU  33   2.237   3.733   8.402
  282   3HD2  LEU  33           HD23     LEU  33   3.285   5.199   8.370
  283    HA   PRO  34           HA       PRO  34  -3.725   2.988   4.811
  284   1HB   PRO  34           HB1      PRO  34  -5.466   4.647   6.155
  285   2HB   PRO  34           HB2      PRO  34  -4.888   3.109   6.869
  286   1HG   PRO  34           HG1      PRO  34  -4.065   5.913   7.684
  287   2HG   PRO  34           HG2      PRO  34  -4.135   4.393   8.666
  288   1HD   PRO  34           HD1      PRO  34  -1.896   5.605   7.130
  289   2HD   PRO  34           HD2      PRO  34  -1.754   4.196   8.250
  290    H    PHE  35           H        PHE  35  -4.981   4.187   3.554
  291    HA   PHE  35           HA       PHE  35  -4.710   6.921   3.014
  292   1HB   PHE  35           HB1      PHE  35  -3.661   7.143   0.931
  293   2HB   PHE  35           HB2      PHE  35  -2.552   6.055   1.789
  294    HD1  PHE  35           HD1      PHE  35  -3.082   3.339   1.264
  295    HD2  PHE  35           HD2      PHE  35  -4.415   6.628  -1.306
  296    HE1  PHE  35           HE1      PHE  35  -3.062   1.872  -0.667
  297    HE2  PHE  35           HE2      PHE  35  -4.489   5.066  -3.135
  298    HZ   PHE  35           HZ       PHE  35  -3.749   2.740  -2.865
  299    H    LEU  36           H        LEU  36  -6.268   7.049   0.619
  300    HA   LEU  36           HA       LEU  36  -8.279   4.995   0.843
  301   1HB   LEU  36           HB1      LEU  36  -8.569   7.999  -0.004
  302   2HB   LEU  36           HB2      LEU  36  -9.820   6.760   0.268
  303    HG   LEU  36           HG       LEU  36 -10.021   8.344   1.736
  304   1HD1  LEU  36           HD11     LEU  36 -10.407   6.268   2.834
  305   2HD1  LEU  36           HD12     LEU  36  -8.690   6.174   3.417
  306   3HD1  LEU  36           HD13     LEU  36  -9.801   7.459   4.026
  307   1HD2  LEU  36           HD21     LEU  36  -8.035   9.583   1.505
  308   2HD2  LEU  36           HD22     LEU  36  -8.719   9.572   3.159
  309   3HD2  LEU  36           HD23     LEU  36  -7.236   8.616   2.842
  310    H    PHE  37           H        PHE  37  -8.928   4.375  -1.264
  311    HA   PHE  37           HA       PHE  37  -7.483   5.467  -3.630
  312   1HB   PHE  37           HB1      PHE  37  -6.775   3.198  -3.303
  313   2HB   PHE  37           HB2      PHE  37  -8.451   2.687  -2.834
  314    HD1  PHE  37           HD1      PHE  37  -6.418   3.760  -6.040
  315    HD2  PHE  37           HD2      PHE  37  -9.905   1.807  -4.319
  316    HE1  PHE  37           HE1      PHE  37  -6.827   2.603  -8.103
  317    HE2  PHE  37           HE2      PHE  37 -10.376   0.804  -6.516
  318    HZ   PHE  37           HZ       PHE  37  -8.765   1.083  -8.377
  319    H    SER  38           H        SER  38  -8.799   6.341  -5.252
  320    HA   SER  38           HA       SER  38 -11.723   6.546  -4.682
  321   1HB   SER  38           HB1      SER  38 -11.737   8.625  -5.939
  322   2HB   SER  38           HB2      SER  38 -10.631   8.663  -4.542
  323    HG   SER  38           HG       SER  38  -8.969   7.968  -6.276
  324    H    GLY  39           H        GLY  39  -9.695   4.697  -6.636
  325   1HA   GLY  39           HA1      GLY  39 -10.456   3.107  -7.983
  326   2HA   GLY  39           HA2      GLY  39 -12.002   3.844  -8.182
  327    H    CYS  40           H        CYS  40 -11.481   6.183  -9.421
  328    HA   CYS  40           HA       CYS  40 -10.828   5.450 -12.060
  329   1HB   CYS  40           HB1      CYS  40 -11.284   8.355 -11.236
  330   2HB   CYS  40           HB2      CYS  40 -11.763   7.518 -12.730
  331    H    GLY  41           H        GLY  41  -8.489   4.877 -11.293
  332   1HA   GLY  41           HA1      GLY  41  -6.668   5.508 -12.910
  333   2HA   GLY  41           HA2      GLY  41  -6.727   7.145 -12.220
  334    H    GLY  42           H        GLY  42  -6.490   4.116 -10.171
  335   1HA   GLY  42           HA1      GLY  42  -3.909   5.212  -9.181
  336   2HA   GLY  42           HA2      GLY  42  -4.921   3.899  -8.488
  337    H    ASN  43           H        ASN  43  -2.138   3.377  -8.689
  338    HA   ASN  43           HA       ASN  43  -1.788   1.948 -11.238
  339   1HB   ASN  43           HB1      ASN  43   0.596   1.658 -10.691
  340   2HB   ASN  43           HB2      ASN  43  -0.013   3.327 -10.836
  341   1HD2  ASN  43           HD21     ASN  43   1.644   4.090  -7.847
  342   2HD2  ASN  43           HD22     ASN  43   1.468   4.406  -9.581
  343    H    ALA  44           H        ALA  44  -0.219   0.557  -8.454
  344    HA   ALA  44           HA       ALA  44  -1.836  -1.931  -8.760
  345   1HB   ALA  44           HB1      ALA  44  -0.071  -1.920 -10.548
  346   2HB   ALA  44           HB2      ALA  44   1.205  -1.776  -9.298
  347   3HB   ALA  44           HB3      ALA  44   0.165  -3.260  -9.402
  348    H    ASN  45           H        ASN  45  -0.114   0.156  -6.621
  349    HA   ASN  45           HA       ASN  45   0.519  -1.964  -4.692
  350   1HB   ASN  45           HB1      ASN  45   2.090  -0.031  -5.232
  351   2HB   ASN  45           HB2      ASN  45   0.965   1.104  -4.471
  352   1HD2  ASN  45           HD21     ASN  45   3.171   0.463  -1.689
  353   2HD2  ASN  45           HD22     ASN  45   2.661   1.581  -2.921
  354    H    ARG  46           H        ARG  46  -2.000  -2.470  -4.229
  355    HA   ARG  46           HA       ARG  46  -2.394  -1.010  -1.785
  356   1HB   ARG  46           HB1      ARG  46  -4.588  -0.245  -1.820
  357   2HB   ARG  46           HB2      ARG  46  -3.606   0.507  -3.070
  358   1HG   ARG  46           HG1      ARG  46  -5.411  -1.790  -3.932
  359   2HG   ARG  46           HG2      ARG  46  -6.125  -0.184  -3.592
  360   1HD   ARG  46           HD1      ARG  46  -3.861  -0.752  -5.537
  361   2HD   ARG  46           HD2      ARG  46  -5.591  -0.437  -6.037
  362    HE   ARG  46           HE       ARG  46  -5.199   1.777  -4.563
  363   1HH1  ARG  46           HH11     ARG  46  -2.921   0.601  -7.046
  364   2HH1  ARG  46           HH12     ARG  46  -1.973   2.035  -6.913
  365   1HH2  ARG  46           HH21     ARG  46  -4.134   3.739  -4.869
  366   2HH2  ARG  46           HH22     ARG  46  -2.560   3.648  -5.589
  367    H    PHE  47           H        PHE  47  -3.409  -1.753  -0.249
  368    HA   PHE  47           HA       PHE  47  -3.958  -4.660  -0.212
  369   1HB   PHE  47           HB1      PHE  47  -3.050  -2.795   2.122
  370   2HB   PHE  47           HB2      PHE  47  -3.056  -4.602   2.120
  371    HD1  PHE  47           HD1      PHE  47  -1.719  -5.261  -0.548
  372    HD2  PHE  47           HD2      PHE  47  -0.798  -2.161   2.337
  373    HE1  PHE  47           HE1      PHE  47   0.502  -4.965  -1.530
  374    HE2  PHE  47           HE2      PHE  47   1.450  -2.011   1.389
  375    HZ   PHE  47           HZ       PHE  47   2.098  -3.322  -0.592
  376    H    GLN  48           H        GLN  48  -5.924  -5.385   0.429
  377    HA   GLN  48           HA       GLN  48  -8.113  -3.597   0.692
  378   1HB   GLN  48           HB1      GLN  48  -7.979  -6.674   1.062
  379   2HB   GLN  48           HB2      GLN  48  -9.475  -5.694   0.972
  380   1HG   GLN  48           HG1      GLN  48  -9.157  -6.764  -1.171
  381   2HG   GLN  48           HG2      GLN  48  -8.996  -4.984  -1.325
  382   1HE2  GLN  48           HE21     GLN  48  -5.453  -7.063  -1.636
  383   2HE2  GLN  48           HE22     GLN  48  -6.702  -7.770  -0.628
  384    H    THR  49           H        THR  49  -6.712  -5.987   3.021
  385    HA   THR  49           HA       THR  49  -7.816  -4.473   5.296
  386    HB   THR  49           HB       THR  49  -7.549  -6.668   6.597
  387    HG1  THR  49           HG1      THR  49  -7.871  -8.494   5.176
  388   1HG2  THR  49           HG21     THR  49  -9.755  -5.692   5.844
  389   2HG2  THR  49           HG22     THR  49  -9.590  -6.576   4.285
  390   3HG2  THR  49           HG23     THR  49  -9.766  -7.489   5.829
  391    H    ILE  50           H        ILE  50  -6.230  -4.477   7.184
  392    HA   ILE  50           HA       ILE  50  -3.839  -3.394   6.391
  393    HB   ILE  50           HB       ILE  50  -5.131  -2.773   8.327
  394   1HG1  ILE  50           HG11     ILE  50  -2.215  -3.451   9.043
  395   2HG1  ILE  50           HG12     ILE  50  -2.807  -2.037   8.103
  396   1HG2  ILE  50           HG21     ILE  50  -5.779  -5.107   9.116
  397   2HG2  ILE  50           HG22     ILE  50  -4.093  -5.334   9.717
  398   3HG2  ILE  50           HG23     ILE  50  -5.145  -4.064  10.418
  399   1HD1  ILE  50           HD11     ILE  50  -4.186  -1.350  10.134
  400   2HD1  ILE  50           HD12     ILE  50  -3.399  -2.680  11.071
  401   3HD1  ILE  50           HD13     ILE  50  -2.410  -1.327  10.409
  402    H    GLY  51           H        GLY  51  -4.316  -6.788   7.212
  403   1HA   GLY  51           HA1      GLY  51  -1.382  -7.149   7.351
  404   2HA   GLY  51           HA2      GLY  51  -2.600  -8.321   7.813
  405    H    GLU  52           H        GLU  52  -3.198  -6.790   4.757
  406    HA   GLU  52           HA       GLU  52  -2.046  -9.022   3.200
  407   1HB   GLU  52           HB1      GLU  52  -4.426  -8.248   2.837
  408   2HB   GLU  52           HB2      GLU  52  -3.820  -6.651   2.337
  409   1HG   GLU  52           HG1      GLU  52  -4.433  -7.991   0.343
  410   2HG   GLU  52           HG2      GLU  52  -2.651  -7.766   0.319
  411    H    CYS  53           H        CYS  53  -1.084  -6.188   4.465
  412    HA   CYS  53           HA       CYS  53   0.607  -4.946   2.545
  413   1HB   CYS  53           HB1      CYS  53  -0.793  -3.844   4.571
  414   2HB   CYS  53           HB2      CYS  53   0.296  -4.711   5.631
  415    H    ARG  54           H        ARG  54   0.940  -7.019   5.226
  416    HA   ARG  54           HA       ARG  54   3.687  -7.248   5.846
  417   1HB   ARG  54           HB1      ARG  54   1.041  -8.690   6.377
  418   2HB   ARG  54           HB2      ARG  54   2.559  -9.268   7.084
  419   1HG   ARG  54           HG1      ARG  54   3.059  -7.133   8.107
  420   2HG   ARG  54           HG2      ARG  54   1.653  -6.339   7.319
  421   1HD   ARG  54           HD1      ARG  54   1.350  -6.740   9.587
  422   2HD   ARG  54           HD2      ARG  54   0.057  -7.629   8.652
  423    HE   ARG  54           HE       ARG  54   1.945  -9.657   8.905
  424   1HH1  ARG  54           HH11     ARG  54   0.077  -7.821  11.255
  425   2HH1  ARG  54           HH12     ARG  54  -0.056  -9.233  12.277
  426   1HH2  ARG  54           HH21     ARG  54   1.748 -11.141   9.945
  427   2HH2  ARG  54           HH22     ARG  54   0.990 -11.223  11.539
  428    H    LYS  55           H        LYS  55   1.584  -9.590   4.023
  429    HA   LYS  55           HA       LYS  55   3.489 -11.594   3.657
  430   1HB   LYS  55           HB1      LYS  55   1.027 -11.781   3.672
  431   2HB   LYS  55           HB2      LYS  55   0.897 -10.870   2.129
  432   1HG   LYS  55           HG1      LYS  55   2.107 -12.793   0.973
  433   2HG   LYS  55           HG2      LYS  55   2.205 -13.633   2.567
  434   1HD   LYS  55           HD1      LYS  55  -0.304 -13.564   2.715
  435   2HD   LYS  55           HD2      LYS  55  -0.378 -12.758   1.109
  436   1HE   LYS  55           HE1      LYS  55   0.656 -14.781   0.028
  437   2HE   LYS  55           HE2      LYS  55   0.733 -15.604   1.641
  438   1HZ   LYS  55           HZ1      LYS  55  -1.731 -14.649   0.275
  439   2HZ   LYS  55           HZ2      LYS  55  -1.191 -16.255   0.384
  440   3HZ   LYS  55           HZ3      LYS  55  -1.658 -15.418   1.786
  441    H    LYS  56           H        LYS  56   2.720  -8.757   1.738
  442    HA   LYS  56           HA       LYS  56   4.457  -9.372  -0.510
  443   1HB   LYS  56           HB1      LYS  56   2.318  -7.299   0.101
  444   2HB   LYS  56           HB2      LYS  56   3.549  -6.903  -1.122
  445   1HG   LYS  56           HG1      LYS  56   3.136  -8.938  -2.369
  446   2HG   LYS  56           HG2      LYS  56   1.815  -9.425  -1.355
  447   1HD   LYS  56           HD1      LYS  56   1.794  -6.677  -2.930
  448   2HD   LYS  56           HD2      LYS  56   1.330  -8.247  -3.618
  449   1HE   LYS  56           HE1      LYS  56  -0.057  -7.290  -1.039
  450   2HE   LYS  56           HE2      LYS  56  -0.652  -6.924  -2.711
  451   1HZ   LYS  56           HZ1      LYS  56  -0.749  -9.258  -3.158
  452   2HZ   LYS  56           HZ2      LYS  56  -0.184  -9.629  -1.600
  453   3HZ   LYS  56           HZ3      LYS  56  -1.682  -8.854  -1.796
  454    H    CYS  57           H        CYS  57   4.539  -7.217   2.464
  455    HA   CYS  57           HA       CYS  57   7.226  -6.304   1.474
  456   1HB   CYS  57           HB1      CYS  57   4.956  -4.790   2.797
  457   2HB   CYS  57           HB2      CYS  57   6.586  -4.066   2.684
  458    H    LEU  58           H        LEU  58   6.123  -8.072   4.222
  459    HA   LEU  58           HA       LEU  58   8.716  -7.205   5.451
  460   1HB   LEU  58           HB1      LEU  58   6.084  -7.417   6.870
  461   2HB   LEU  58           HB2      LEU  58   7.591  -7.844   7.767
  462    HG   LEU  58           HG       LEU  58   7.189  -5.205   6.399
  463   1HD1  LEU  58           HD11     LEU  58   5.549  -5.586   8.389
  464   2HD1  LEU  58           HD12     LEU  58   6.978  -5.909   9.419
  465   3HD1  LEU  58           HD13     LEU  58   6.757  -4.278   8.720
  466   1HD2  LEU  58           HD21     LEU  58   9.288  -6.160   8.433
  467   2HD2  LEU  58           HD22     LEU  58   9.594  -5.675   6.721
  468   3HD2  LEU  58           HD23     LEU  58   9.049  -4.450   7.921
  469    H    GLY  59           H        GLY  59   6.523  -9.729   4.551
  470   1HA   GLY  59           HA1      GLY  59   6.866 -11.897   4.183
  471   2HA   GLY  59           HA2      GLY  59   8.372 -11.868   5.176
  472    H    LYS  60           H        LYS  60   4.872 -11.046   5.820
  473    HA   LYS  60           HA       LYS  60   4.701 -13.058   7.887
  474   1HB   LYS  60           HB1      LYS  60   4.411 -11.298   9.746
  475   2HB   LYS  60           HB2      LYS  60   6.096 -11.402   9.140
  476   1HG   LYS  60           HG1      LYS  60   5.692  -9.438   7.617
  477   2HG   LYS  60           HG2      LYS  60   4.064  -9.251   8.282
  478   1HD   LYS  60           HD1      LYS  60   6.628  -9.000   9.913
  479   2HD   LYS  60           HD2      LYS  60   5.659  -7.717   9.067
  480   1HE   LYS  60           HE1      LYS  60   3.780  -7.923  10.378
  481   2HE   LYS  60           HE2      LYS  60   4.394  -9.371  11.307
  482   1HZ   LYS  60           HZ1      LYS  60   5.570  -6.630  11.256
  483   2HZ   LYS  60           HZ2      LYS  60   4.659  -7.314  12.517
  484   3HZ   LYS  60           HZ3      LYS  60   6.180  -7.958  12.120
   
  No H/Q in entry =         484
  Start of MODEL   12
    1    H    TRP   1           H        TRP   1  13.438 -12.579   3.915
    2    HA   TRP   1           HA       TRP   1  11.776 -12.049   1.720
    3   1HB   TRP   1           HB1      TRP   1  10.005 -11.522   3.442
    4   2HB   TRP   1           HB2      TRP   1  11.179 -10.573   4.366
    5    HD1  TRP   1           HD1      TRP   1   8.951 -10.283   1.072
    6    HE1  TRP   1           HE1      TRP   1   8.745  -7.886   0.512
    7    HE3  TRP   1           HE3      TRP   1  12.188  -8.417   4.598
    8    HZ2  TRP   1           HZ2      TRP   1   9.824  -5.426   1.371
    9    HZ3  TRP   1           HZ3      TRP   1  12.473  -5.963   4.739
   10    HH2  TRP   1           HH2      TRP   1  11.245  -4.457   3.193
   11    H    GLN   2           H        GLN   2  12.505 -10.253   0.548
   12    HA   GLN   2           HA       GLN   2  14.411  -8.358   1.546
   13   1HB   GLN   2           HB1      GLN   2  14.967 -10.155  -0.921
   14   2HB   GLN   2           HB2      GLN   2  15.787  -8.587  -0.625
   15   1HG   GLN   2           HG1      GLN   2  16.036 -11.094   1.175
   16   2HG   GLN   2           HG2      GLN   2  17.236 -10.484  -0.016
   17   1HE2  GLN   2           HE21     GLN   2  16.971  -8.627   3.625
   18   2HE2  GLN   2           HE22     GLN   2  15.647  -9.680   3.137
   19    HA   PRO   3           HA       PRO   3  11.048  -6.558  -0.373
   20   1HB   PRO   3           HB1      PRO   3  12.201  -4.000  -1.308
   21   2HB   PRO   3           HB2      PRO   3  11.199  -4.425   0.132
   22   1HG   PRO   3           HG1      PRO   3  14.068  -3.833   0.068
   23   2HG   PRO   3           HG2      PRO   3  13.129  -4.496   1.455
   24   1HD   PRO   3           HD1      PRO   3  14.928  -6.019  -0.422
   25   2HD   PRO   3           HD2      PRO   3  14.417  -6.345   1.277
   26    HA   PRO   4           HA       PRO   4  11.097  -7.392  -4.881
   27   1HB   PRO   4           HB1      PRO   4   8.067  -7.719  -4.350
   28   2HB   PRO   4           HB2      PRO   4   9.217  -8.832  -5.194
   29   1HG   PRO   4           HG1      PRO   4   8.352  -9.344  -2.630
   30   2HG   PRO   4           HG2      PRO   4  10.082  -9.494  -3.063
   31   1HD   PRO   4           HD1      PRO   4   8.864  -6.976  -1.754
   32   2HD   PRO   4           HD2      PRO   4  10.136  -8.076  -1.189
   33    H    TRP   5           H        TRP   5   7.904  -6.416  -5.538
   34    HA   TRP   5           HA       TRP   5   8.674  -3.836  -6.582
   35   1HB   TRP   5           HB1      TRP   5   6.187  -3.872  -7.499
   36   2HB   TRP   5           HB2      TRP   5   7.385  -4.796  -8.244
   37    HD1  TRP   5           HD1      TRP   5   7.335  -7.580  -7.972
   38    HE1  TRP   5           HE1      TRP   5   5.076  -8.973  -7.896
   39    HE3  TRP   5           HE3      TRP   5   3.997  -4.298  -6.275
   40    HZ2  TRP   5           HZ2      TRP   5   2.323  -8.441  -8.236
   41    HZ3  TRP   5           HZ3      TRP   5   1.621  -4.505  -6.658
   42    HH2  TRP   5           HH2      TRP   5   0.739  -6.622  -7.627
   43    H    TYR   6           H        TYR   6   5.823  -4.985  -4.851
   44    HA   TYR   6           HA       TYR   6   4.280  -3.031  -4.274
   45   1HB   TYR   6           HB1      TYR   6   4.694  -4.787  -1.803
   46   2HB   TYR   6           HB2      TYR   6   3.248  -4.546  -2.834
   47    HD1  TYR   6           HD1      TYR   6   3.022  -6.022  -4.833
   48    HD2  TYR   6           HD2      TYR   6   6.169  -6.488  -2.003
   49    HE1  TYR   6           HE1      TYR   6   3.417  -8.349  -5.665
   50    HE2  TYR   6           HE2      TYR   6   6.398  -8.906  -2.751
   51    HH   TYR   6           HH       TYR   6   5.722 -10.491  -4.142
   52    H    CYS   7           H        CYS   7   6.918  -3.656  -2.081
   53    HA   CYS   7           HA       CYS   7   6.384  -1.899  -0.134
   54   1HB   CYS   7           HB1      CYS   7   9.252  -2.768  -0.820
   55   2HB   CYS   7           HB2      CYS   7   8.467  -2.521   0.787
   56    H    LYS   8           H        LYS   8   8.382  -1.288  -2.995
   57    HA   LYS   8           HA       LYS   8   8.864   1.528  -2.271
   58   1HB   LYS   8           HB1      LYS   8  10.010  -0.310  -4.495
   59   2HB   LYS   8           HB2      LYS   8  10.510   1.401  -4.215
   60   1HG   LYS   8           HG1      LYS   8  11.607   0.849  -2.169
   61   2HG   LYS   8           HG2      LYS   8  10.901  -0.802  -2.138
   62   1HD   LYS   8           HD1      LYS   8  13.149  -1.058  -2.919
   63   2HD   LYS   8           HD2      LYS   8  12.044  -1.330  -4.316
   64   1HE   LYS   8           HE1      LYS   8  14.071  -0.005  -4.981
   65   2HE   LYS   8           HE2      LYS   8  12.599   1.026  -5.151
   66   1HZ   LYS   8           HZ1      LYS   8  14.509   1.044  -2.870
   67   2HZ   LYS   8           HZ2      LYS   8  14.399   2.192  -4.118
   68   3HZ   LYS   8           HZ3      LYS   8  13.120   2.010  -3.015
   69    H    GLU   9           H        GLU   9   6.192   0.073  -3.498
   70    HA   GLU   9           HA       GLU   9   6.270   0.944  -6.231
   71   1HB   GLU   9           HB1      GLU   9   5.537  -1.185  -5.640
   72   2HB   GLU   9           HB2      GLU   9   4.133  -0.510  -4.819
   73   1HG   GLU   9           HG1      GLU   9   3.636  -1.268  -7.118
   74   2HG   GLU   9           HG2      GLU   9   3.409   0.511  -7.138
   75    HA   PRO  10           HA       PRO  10   4.742   4.884  -5.026
   76   1HB   PRO  10           HB1      PRO  10   3.944   5.313  -7.956
   77   2HB   PRO  10           HB2      PRO  10   4.902   6.389  -6.857
   78   1HG   PRO  10           HG1      PRO  10   6.157   4.825  -8.659
   79   2HG   PRO  10           HG2      PRO  10   6.808   4.845  -6.966
   80   1HD   PRO  10           HD1      PRO  10   4.821   2.826  -8.174
   81   2HD   PRO  10           HD2      PRO  10   6.388   2.447  -7.369
   82    H    VAL  11           H        VAL  11   2.933   5.409  -3.848
   83    HA   VAL  11           HA       VAL  11   0.409   4.258  -4.280
   84    HB   VAL  11           HB       VAL  11   1.494   4.701  -2.116
   85   1HG1  VAL  11           HG11     VAL  11   2.359   7.040  -2.567
   86   2HG1  VAL  11           HG12     VAL  11   0.674   7.663  -2.504
   87   3HG1  VAL  11           HG13     VAL  11   1.400   6.897  -1.055
   88   1HG2  VAL  11           HG21     VAL  11  -0.886   4.118  -2.264
   89   2HG2  VAL  11           HG22     VAL  11  -0.584   5.285  -0.936
   90   3HG2  VAL  11           HG23     VAL  11  -1.355   5.857  -2.449
   91    H    ARG  12           H        ARG  12  -1.524   5.011  -5.124
   92    HA   ARG  12           HA       ARG  12  -1.583   7.676  -6.443
   93   1HB   ARG  12           HB1      ARG  12  -2.369   4.998  -7.610
   94   2HB   ARG  12           HB2      ARG  12  -2.875   6.594  -8.248
   95   1HG   ARG  12           HG1      ARG  12  -0.214   7.101  -8.262
   96   2HG   ARG  12           HG2      ARG  12  -0.261   5.304  -8.145
   97   1HD   ARG  12           HD1      ARG  12  -1.857   5.339 -10.167
   98   2HD   ARG  12           HD2      ARG  12  -1.967   7.147 -10.012
   99    HE   ARG  12           HE       ARG  12   0.648   6.991 -10.747
  100   1HH1  ARG  12           HH11     ARG  12  -2.072   5.243 -12.020
  101   2HH1  ARG  12           HH12     ARG  12  -1.719   5.711 -13.676
  102   1HH2  ARG  12           HH21     ARG  12   1.279   7.269 -12.807
  103   2HH2  ARG  12           HH22     ARG  12   0.292   6.746 -14.122
  104    H    ILE  13           H        ILE  13  -3.537   8.711  -5.590
  105    HA   ILE  13           HA       ILE  13  -5.738   6.996  -4.670
  106    HB   ILE  13           HB       ILE  13  -4.915   8.531  -3.100
  107   1HG1  ILE  13           HG11     ILE  13  -7.838   8.879  -4.034
  108   2HG1  ILE  13           HG12     ILE  13  -7.068   7.520  -3.139
  109   1HG2  ILE  13           HG21     ILE  13  -4.435  10.653  -4.402
  110   2HG2  ILE  13           HG22     ILE  13  -6.235  10.768  -4.705
  111   3HG2  ILE  13           HG23     ILE  13  -5.545  10.827  -3.038
  112   1HD1  ILE  13           HD11     ILE  13  -6.677   9.014  -1.194
  113   2HD1  ILE  13           HD12     ILE  13  -7.493  10.385  -2.053
  114   3HD1  ILE  13           HD13     ILE  13  -8.438   8.910  -1.605
  115    H    GLY  14           H        GLY  14  -5.020   9.483  -7.026
  116   1HA   GLY  14           HA1      GLY  14  -5.921   9.263  -9.233
  117   2HA   GLY  14           HA2      GLY  14  -7.484   8.774  -8.529
  118    H    SER  15           H        SER  15  -8.808  10.520  -9.529
  119    HA   SER  15           HA       SER  15  -8.548  13.097  -8.276
  120   1HB   SER  15           HB1      SER  15  -8.075  12.904 -11.330
  121   2HB   SER  15           HB2      SER  15  -8.472  14.428 -10.454
  122    HG   SER  15           HG       SER  15  -6.375  12.979  -9.369
  123    H    CYS  16           H        CYS  16 -10.406  11.057  -8.055
  124    HA   CYS  16           HA       CYS  16 -12.756  11.947  -9.597
  125   1HB   CYS  16           HB1      CYS  16 -11.784   9.358  -8.572
  126   2HB   CYS  16           HB2      CYS  16 -13.436   9.479  -8.156
  127    H    LYS  17           H        LYS  17 -14.687  11.241  -8.162
  128    HA   LYS  17           HA       LYS  17 -14.626  12.952  -5.715
  129   1HB   LYS  17           HB1      LYS  17 -17.063  12.374  -7.494
  130   2HB   LYS  17           HB2      LYS  17 -16.970  13.525  -6.128
  131   1HG   LYS  17           HG1      LYS  17 -15.615  13.744  -8.881
  132   2HG   LYS  17           HG2      LYS  17 -16.986  14.694  -8.237
  133   1HD   LYS  17           HD1      LYS  17 -14.044  14.834  -7.325
  134   2HD   LYS  17           HD2      LYS  17 -14.961  16.053  -8.260
  135   1HE   LYS  17           HE1      LYS  17 -15.508  15.280  -5.308
  136   2HE   LYS  17           HE2      LYS  17 -14.653  16.756  -5.899
  137   1HZ   LYS  17           HZ1      LYS  17 -16.655  17.403  -7.044
  138   2HZ   LYS  17           HZ2      LYS  17 -17.464  16.013  -6.500
  139   3HZ   LYS  17           HZ3      LYS  17 -16.940  17.181  -5.384
  140    H    LYS  18           H        LYS  18 -13.808  10.163  -5.496
  141    HA   LYS  18           HA       LYS  18 -15.806   9.254  -3.614
  142   1HB   LYS  18           HB1      LYS  18 -16.301   8.150  -5.891
  143   2HB   LYS  18           HB2      LYS  18 -14.632   7.553  -5.951
  144   1HG   LYS  18           HG1      LYS  18 -16.124   5.762  -5.292
  145   2HG   LYS  18           HG2      LYS  18 -15.032   6.154  -3.945
  146   1HD   LYS  18           HD1      LYS  18 -17.346   5.683  -3.156
  147   2HD   LYS  18           HD2      LYS  18 -16.872   7.359  -2.737
  148   1HE   LYS  18           HE1      LYS  18 -18.272   8.266  -4.597
  149   2HE   LYS  18           HE2      LYS  18 -18.724   6.585  -5.100
  150   1HZ   LYS  18           HZ1      LYS  18 -19.270   7.831  -2.464
  151   2HZ   LYS  18           HZ2      LYS  18 -20.378   7.590  -3.728
  152   3HZ   LYS  18           HZ3      LYS  18 -19.689   6.255  -2.936
  153    H    GLN  19           H        GLN  19 -14.646   7.804  -2.033
  154    HA   GLN  19           HA       GLN  19 -11.892   7.291  -2.418
  155   1HB   GLN  19           HB1      GLN  19 -12.574   8.466   0.342
  156   2HB   GLN  19           HB2      GLN  19 -11.044   8.261  -0.597
  157   1HG   GLN  19           HG1      GLN  19 -11.349  10.554  -0.232
  158   2HG   GLN  19           HG2      GLN  19 -11.611  10.255  -1.990
  159   1HE2  GLN  19           HE21     GLN  19 -14.675  12.066  -1.621
  160   2HE2  GLN  19           HE22     GLN  19 -13.181  11.853  -2.509
  161    H    PHE  20           H        PHE  20 -11.891   5.023  -2.010
  162    HA   PHE  20           HA       PHE  20 -13.764   3.935   0.015
  163   1HB   PHE  20           HB1      PHE  20 -12.056   2.348  -2.011
  164   2HB   PHE  20           HB2      PHE  20 -13.314   1.766  -0.932
  165    HD1  PHE  20           HD1      PHE  20 -15.755   2.257  -1.345
  166    HD2  PHE  20           HD2      PHE  20 -12.731   3.446  -4.242
  167    HE1  PHE  20           HE1      PHE  20 -17.449   2.418  -3.109
  168    HE2  PHE  20           HE2      PHE  20 -14.438   3.558  -5.947
  169    HZ   PHE  20           HZ       PHE  20 -16.802   3.040  -5.419
  170    H    SER  21           H        SER  21 -12.660   2.789   1.893
  171    HA   SER  21           HA       SER  21 -10.061   3.805   2.488
  172   1HB   SER  21           HB1      SER  21 -11.933   3.387   4.179
  173   2HB   SER  21           HB2      SER  21 -11.468   1.657   4.161
  174    HG   SER  21           HG       SER  21 -10.259   2.570   5.752
  175    H    SER  22           H        SER  22  -8.028   2.849   2.781
  176    HA   SER  22           HA       SER  22  -7.594   0.072   1.923
  177   1HB   SER  22           HB1      SER  22  -5.906   0.868   0.127
  178   2HB   SER  22           HB2      SER  22  -7.477   1.553  -0.182
  179    HG   SER  22           HG       SER  22  -5.691   2.943   1.474
  180    H    PHE  23           H        PHE  23  -5.051   0.029   1.610
  181    HA   PHE  23           HA       PHE  23  -3.416   1.150   3.738
  182   1HB   PHE  23           HB1      PHE  23  -4.044  -1.778   3.365
  183   2HB   PHE  23           HB2      PHE  23  -2.494  -1.456   4.112
  184    HD1  PHE  23           HD1      PHE  23  -2.580   0.045   6.289
  185    HD2  PHE  23           HD2      PHE  23  -6.080  -1.771   4.581
  186    HE1  PHE  23           HE1      PHE  23  -3.784   0.434   8.385
  187    HE2  PHE  23           HE2      PHE  23  -7.305  -1.392   6.714
  188    HZ   PHE  23           HZ       PHE  23  -6.169  -0.283   8.609
  189    H    TYR  24           H        TYR  24  -1.233   1.131   3.301
  190    HA   TYR  24           HA       TYR  24  -0.128  -0.097   0.920
  191   1HB   TYR  24           HB1      TYR  24   0.759   1.695  -0.271
  192   2HB   TYR  24           HB2      TYR  24  -0.893   2.212   0.110
  193    HD1  TYR  24           HD1      TYR  24  -1.246   4.042   1.845
  194    HD2  TYR  24           HD2      TYR  24   2.706   2.876   0.612
  195    HE1  TYR  24           HE1      TYR  24  -0.397   6.185   2.645
  196    HE2  TYR  24           HE2      TYR  24   3.607   5.017   1.680
  197    HH   TYR  24           HH       TYR  24   1.453   7.504   2.924
  198    H    PHE  25           H        PHE  25   2.323  -0.263   1.000
  199    HA   PHE  25           HA       PHE  25   3.301  -0.257   3.760
  200   1HB   PHE  25           HB1      PHE  25   3.641  -2.434   2.093
  201   2HB   PHE  25           HB2      PHE  25   4.882  -1.426   1.352
  202    HD1  PHE  25           HD1      PHE  25   3.611  -3.200   4.375
  203    HD2  PHE  25           HD2      PHE  25   6.951  -1.045   2.644
  204    HE1  PHE  25           HE1      PHE  25   4.911  -3.866   6.274
  205    HE2  PHE  25           HE2      PHE  25   8.354  -2.029   4.434
  206    HZ   PHE  25           HZ       PHE  25   7.387  -3.244   6.305
  207    H    LYS  26           H        LYS  26   4.581   1.546   4.449
  208    HA   LYS  26           HA       LYS  26   5.487   3.371   2.413
  209   1HB   LYS  26           HB1      LYS  26   4.122   4.145   3.988
  210   2HB   LYS  26           HB2      LYS  26   5.083   3.409   5.340
  211   1HG   LYS  26           HG1      LYS  26   5.087   5.536   5.261
  212   2HG   LYS  26           HG2      LYS  26   6.834   5.123   4.953
  213   1HD   LYS  26           HD1      LYS  26   4.703   6.552   3.196
  214   2HD   LYS  26           HD2      LYS  26   6.310   7.128   3.836
  215   1HE   LYS  26           HE1      LYS  26   7.244   5.176   2.441
  216   2HE   LYS  26           HE2      LYS  26   5.736   5.269   1.470
  217   1HZ   LYS  26           HZ1      LYS  26   7.606   7.535   1.933
  218   2HZ   LYS  26           HZ2      LYS  26   7.418   6.653   0.494
  219   3HZ   LYS  26           HZ3      LYS  26   6.142   7.610   1.076
  220    H    TRP  27           H        TRP  27   7.386   2.557   1.575
  221    HA   TRP  27           HA       TRP  27   9.262   0.861   2.477
  222   1HB   TRP  27           HB1      TRP  27   9.293   1.144   0.281
  223   2HB   TRP  27           HB2      TRP  27   8.955   2.883   0.328
  224    HD1  TRP  27           HD1      TRP  27  11.154   4.256  -0.542
  225    HE1  TRP  27           HE1      TRP  27  13.586   3.533  -1.098
  226    HE3  TRP  27           HE3      TRP  27  10.952  -0.425   1.221
  227    HZ2  TRP  27           HZ2      TRP  27  15.279   1.296  -0.601
  228    HZ3  TRP  27           HZ3      TRP  27  12.980  -1.887   1.183
  229    HH2  TRP  27           HH2      TRP  27  15.125  -1.037   0.260
  230    H    THR  28           H        THR  28   9.636   4.433   2.899
  231    HA   THR  28           HA       THR  28  12.195   4.131   4.136
  232    HB   THR  28           HB       THR  28  11.884   6.709   4.517
  233    HG1  THR  28           HG1      THR  28  10.438   7.472   2.867
  234   1HG2  THR  28           HG21     THR  28  11.977   5.386   1.724
  235   2HG2  THR  28           HG22     THR  28  12.532   7.056   2.119
  236   3HG2  THR  28           HG23     THR  28  13.376   5.638   2.825
  237    H    ALA  29           H        ALA  29   8.916   4.008   5.313
  238    HA   ALA  29           HA       ALA  29   9.700   4.545   8.103
  239   1HB   ALA  29           HB1      ALA  29   7.445   5.283   7.301
  240   2HB   ALA  29           HB2      ALA  29   7.006   3.590   6.899
  241   3HB   ALA  29           HB3      ALA  29   7.286   4.079   8.617
  242    H    LYS  30           H        LYS  30   8.807   1.862   5.973
  243    HA   LYS  30           HA       LYS  30   9.162  -0.251   5.905
  244   1HB   LYS  30           HB1      LYS  30  11.462   0.380   6.980
  245   2HB   LYS  30           HB2      LYS  30  10.845  -0.508   8.397
  246   1HG   LYS  30           HG1      LYS  30  12.113  -2.077   7.042
  247   2HG   LYS  30           HG2      LYS  30  10.402  -2.486   6.728
  248   1HD   LYS  30           HD1      LYS  30  10.813  -2.214   4.473
  249   2HD   LYS  30           HD2      LYS  30  11.112  -0.472   4.789
  250   1HE   LYS  30           HE1      LYS  30  13.002  -1.226   3.583
  251   2HE   LYS  30           HE2      LYS  30  13.569  -1.117   5.294
  252   1HZ   LYS  30           HZ1      LYS  30  12.646  -3.573   3.881
  253   2HZ   LYS  30           HZ2      LYS  30  14.256  -3.145   4.216
  254   3HZ   LYS  30           HZ3      LYS  30  13.186  -3.492   5.489
  255    H    LYS  31           H        LYS  31   6.855   0.851   7.157
  256    HA   LYS  31           HA       LYS  31   5.707  -1.547   8.219
  257   1HB   LYS  31           HB1      LYS  31   6.534  -0.377  10.250
  258   2HB   LYS  31           HB2      LYS  31   5.718   1.128   9.759
  259   1HG   LYS  31           HG1      LYS  31   4.606  -0.015  11.613
  260   2HG   LYS  31           HG2      LYS  31   3.530   0.146  10.201
  261   1HD   LYS  31           HD1      LYS  31   3.976  -2.341   9.676
  262   2HD   LYS  31           HD2      LYS  31   5.042  -2.423  11.114
  263   1HE   LYS  31           HE1      LYS  31   3.091  -1.997  12.618
  264   2HE   LYS  31           HE2      LYS  31   2.018  -1.715  11.191
  265   1HZ   LYS  31           HZ1      LYS  31   2.382  -3.995  10.521
  266   2HZ   LYS  31           HZ2      LYS  31   3.387  -4.271  11.862
  267   3HZ   LYS  31           HZ3      LYS  31   1.744  -3.906  12.093
  268    H    CYS  32           H        CYS  32   3.292  -1.196   8.298
  269    HA   CYS  32           HA       CYS  32   2.304  -0.123   5.841
  270   1HB   CYS  32           HB1      CYS  32   1.023  -1.644   8.213
  271   2HB   CYS  32           HB2      CYS  32   0.082  -1.228   6.729
  272    H    LEU  33           H        LEU  33   0.953   1.531   5.414
  273    HA   LEU  33           HA       LEU  33  -0.020   3.224   7.637
  274   1HB   LEU  33           HB1      LEU  33   0.771   4.193   4.803
  275   2HB   LEU  33           HB2      LEU  33   0.141   5.185   6.159
  276    HG   LEU  33           HG       LEU  33   2.919   4.028   5.735
  277   1HD1  LEU  33           HD11     LEU  33   1.711   6.801   6.415
  278   2HD1  LEU  33           HD12     LEU  33   3.462   6.480   6.202
  279   3HD1  LEU  33           HD13     LEU  33   2.329   6.242   4.823
  280   1HD2  LEU  33           HD21     LEU  33   1.840   5.215   8.395
  281   2HD2  LEU  33           HD22     LEU  33   2.414   3.528   8.193
  282   3HD2  LEU  33           HD23     LEU  33   3.563   4.890   8.013
  283    HA   PRO  34           HA       PRO  34  -3.883   2.677   5.073
  284   1HB   PRO  34           HB1      PRO  34  -5.629   4.242   6.483
  285   2HB   PRO  34           HB2      PRO  34  -4.884   2.799   7.252
  286   1HG   PRO  34           HG1      PRO  34  -3.996   5.720   7.582
  287   2HG   PRO  34           HG2      PRO  34  -4.280   4.500   8.883
  288   1HD   PRO  34           HD1      PRO  34  -1.775   5.113   7.616
  289   2HD   PRO  34           HD2      PRO  34  -2.128   3.555   8.513
  290    H    PHE  35           H        PHE  35  -5.101   3.771   3.670
  291    HA   PHE  35           HA       PHE  35  -4.937   6.596   3.319
  292   1HB   PHE  35           HB1      PHE  35  -4.075   7.013   1.198
  293   2HB   PHE  35           HB2      PHE  35  -2.848   6.018   2.007
  294    HD1  PHE  35           HD1      PHE  35  -3.365   3.279   1.454
  295    HD2  PHE  35           HD2      PHE  35  -4.362   6.624  -1.145
  296    HE1  PHE  35           HE1      PHE  35  -3.316   1.802  -0.525
  297    HE2  PHE  35           HE2      PHE  35  -4.258   5.111  -3.057
  298    HZ   PHE  35           HZ       PHE  35  -3.779   2.697  -2.755
  299    H    LEU  36           H        LEU  36  -6.247   6.499   0.629
  300    HA   LEU  36           HA       LEU  36  -8.490   4.764   0.942
  301   1HB   LEU  36           HB1      LEU  36  -8.762   7.820   0.336
  302   2HB   LEU  36           HB2      LEU  36 -10.100   6.639   0.539
  303    HG   LEU  36           HG       LEU  36  -8.240   7.664   2.765
  304   1HD1  LEU  36           HD11     LEU  36  -9.481   9.529   1.669
  305   2HD1  LEU  36           HD12     LEU  36 -11.043   8.684   2.001
  306   3HD1  LEU  36           HD13     LEU  36 -10.012   9.243   3.362
  307   1HD2  LEU  36           HD21     LEU  36 -10.964   6.230   2.852
  308   2HD2  LEU  36           HD22     LEU  36  -9.370   5.556   3.400
  309   3HD2  LEU  36           HD23     LEU  36 -10.112   6.938   4.271
  310    H    PHE  37           H        PHE  37  -9.314   4.512  -1.203
  311    HA   PHE  37           HA       PHE  37  -7.617   5.506  -3.489
  312   1HB   PHE  37           HB1      PHE  37  -7.026   3.161  -3.244
  313   2HB   PHE  37           HB2      PHE  37  -8.788   2.747  -2.940
  314    HD1  PHE  37           HD1      PHE  37  -7.874   4.831  -6.186
  315    HD2  PHE  37           HD2      PHE  37  -8.525   0.920  -4.381
  316    HE1  PHE  37           HE1      PHE  37  -8.596   3.979  -8.273
  317    HE2  PHE  37           HE2      PHE  37  -9.071   0.045  -6.628
  318    HZ   PHE  37           HZ       PHE  37  -9.118   1.590  -8.576
  319    H    SER  38           H        SER  38  -8.792   6.653  -5.056
  320    HA   SER  38           HA       SER  38 -11.623   7.021  -4.590
  321   1HB   SER  38           HB1      SER  38 -11.635   8.750  -6.265
  322   2HB   SER  38           HB2      SER  38 -10.269   8.985  -5.150
  323    HG   SER  38           HG       SER  38  -8.866   8.199  -6.766
  324    H    GLY  39           H        GLY  39 -10.229   6.570  -7.777
  325   1HA   GLY  39           HA1      GLY  39 -11.190   3.931  -8.250
  326   2HA   GLY  39           HA2      GLY  39 -12.410   5.074  -8.785
  327    H    CYS  40           H        CYS  40 -11.448   7.099  -9.935
  328    HA   CYS  40           HA       CYS  40 -10.124   6.129 -12.295
  329   1HB   CYS  40           HB1      CYS  40 -10.769   8.095 -13.423
  330   2HB   CYS  40           HB2      CYS  40 -12.161   7.408 -12.563
  331    H    GLY  41           H        GLY  41  -8.143   5.654 -11.382
  332   1HA   GLY  41           HA1      GLY  41  -6.049   6.872 -12.260
  333   2HA   GLY  41           HA2      GLY  41  -6.303   7.929 -10.852
  334    H    GLY  42           H        GLY  42  -6.925   4.476 -10.312
  335   1HA   GLY  42           HA1      GLY  42  -4.811   4.283  -8.470
  336   2HA   GLY  42           HA2      GLY  42  -5.885   2.985  -9.075
  337    H    ASN  43           H        ASN  43  -3.641   2.126  -8.279
  338    HA   ASN  43           HA       ASN  43  -1.961   1.590 -10.669
  339   1HB   ASN  43           HB1      ASN  43  -1.100   3.489  -9.257
  340   2HB   ASN  43           HB2      ASN  43  -0.865   2.395  -7.852
  341   1HD2  ASN  43           HD21     ASN  43   2.308   3.055  -9.598
  342   2HD2  ASN  43           HD22     ASN  43   1.461   3.325  -8.091
  343    H    ALA  44           H        ALA  44  -0.091   0.041  -9.155
  344    HA   ALA  44           HA       ALA  44  -1.685  -2.397  -8.749
  345   1HB   ALA  44           HB1      ALA  44   0.093  -2.212 -10.498
  346   2HB   ALA  44           HB2      ALA  44   1.337  -2.035  -9.224
  347   3HB   ALA  44           HB3      ALA  44   0.372  -3.572  -9.380
  348    H    ASN  45           H        ASN  45  -0.009  -0.104  -6.703
  349    HA   ASN  45           HA       ASN  45   0.561  -2.140  -4.624
  350   1HB   ASN  45           HB1      ASN  45   2.201  -0.251  -5.122
  351   2HB   ASN  45           HB2      ASN  45   1.081   0.924  -4.434
  352   1HD2  ASN  45           HD21     ASN  45   3.042   0.327  -1.471
  353   2HD2  ASN  45           HD22     ASN  45   2.731   1.390  -2.802
  354    H    ARG  46           H        ARG  46  -1.989  -2.514  -4.447
  355    HA   ARG  46           HA       ARG  46  -2.783  -0.842  -2.167
  356   1HB   ARG  46           HB1      ARG  46  -5.092  -0.494  -2.710
  357   2HB   ARG  46           HB2      ARG  46  -3.976   0.374  -3.754
  358   1HG   ARG  46           HG1      ARG  46  -4.913  -2.272  -4.844
  359   2HG   ARG  46           HG2      ARG  46  -6.118  -0.955  -4.678
  360   1HD   ARG  46           HD1      ARG  46  -3.415  -0.560  -6.175
  361   2HD   ARG  46           HD2      ARG  46  -4.949  -1.041  -6.981
  362    HE   ARG  46           HE       ARG  46  -6.026   1.027  -6.016
  363   1HH1  ARG  46           HH11     ARG  46  -2.461   1.523  -5.737
  364   2HH1  ARG  46           HH12     ARG  46  -2.698   3.176  -6.203
  365   1HH2  ARG  46           HH21     ARG  46  -6.075   3.049  -6.193
  366   2HH2  ARG  46           HH22     ARG  46  -4.627   4.021  -6.084
  367    H    PHE  47           H        PHE  47  -3.341  -1.807  -0.527
  368    HA   PHE  47           HA       PHE  47  -3.704  -4.730  -0.555
  369   1HB   PHE  47           HB1      PHE  47  -2.748  -2.727   1.582
  370   2HB   PHE  47           HB2      PHE  47  -2.729  -4.475   1.883
  371    HD1  PHE  47           HD1      PHE  47  -1.510  -5.395  -0.931
  372    HD2  PHE  47           HD2      PHE  47  -0.483  -2.166   1.758
  373    HE1  PHE  47           HE1      PHE  47   0.751  -5.274  -1.863
  374    HE2  PHE  47           HE2      PHE  47   1.812  -2.223   0.872
  375    HZ   PHE  47           HZ       PHE  47   2.425  -3.710  -0.929
  376    H    GLN  48           H        GLN  48  -5.311  -5.658   0.523
  377    HA   GLN  48           HA       GLN  48  -7.797  -4.375   0.788
  378   1HB   GLN  48           HB1      GLN  48  -6.796  -7.183   1.667
  379   2HB   GLN  48           HB2      GLN  48  -8.527  -6.719   1.577
  380   1HG   GLN  48           HG1      GLN  48  -8.476  -6.530  -0.847
  381   2HG   GLN  48           HG2      GLN  48  -6.710  -6.740  -0.971
  382   1HE2  GLN  48           HE21     GLN  48  -7.145 -10.382  -0.329
  383   2HE2  GLN  48           HE22     GLN  48  -6.043  -9.126   0.206
  384    H    THR  49           H        THR  49  -6.060  -6.120   3.459
  385    HA   THR  49           HA       THR  49  -7.074  -4.113   5.381
  386    HB   THR  49           HB       THR  49  -7.095  -5.885   7.128
  387    HG1  THR  49           HG1      THR  49  -7.210  -8.012   6.376
  388   1HG2  THR  49           HG21     THR  49  -9.161  -5.191   5.873
  389   2HG2  THR  49           HG22     THR  49  -8.883  -6.520   4.694
  390   3HG2  THR  49           HG23     THR  49  -9.215  -6.904   6.417
  391    H    ILE  50           H        ILE  50  -5.676  -4.123   7.409
  392    HA   ILE  50           HA       ILE  50  -3.097  -3.330   6.882
  393    HB   ILE  50           HB       ILE  50  -4.592  -2.569   8.630
  394   1HG1  ILE  50           HG11     ILE  50  -1.932  -3.460   9.858
  395   2HG1  ILE  50           HG12     ILE  50  -2.124  -2.127   8.672
  396   1HG2  ILE  50           HG21     ILE  50  -5.513  -4.826   9.364
  397   2HG2  ILE  50           HG22     ILE  50  -3.953  -5.130  10.208
  398   3HG2  ILE  50           HG23     ILE  50  -4.997  -3.766  10.713
  399   1HD1  ILE  50           HD11     ILE  50  -3.752  -0.985  10.232
  400   2HD1  ILE  50           HD12     ILE  50  -3.420  -2.260  11.475
  401   3HD1  ILE  50           HD13     ILE  50  -2.101  -1.160  10.927
  402    H    GLY  51           H        GLY  51  -4.148  -6.609   7.644
  403   1HA   GLY  51           HA1      GLY  51  -1.435  -7.516   8.222
  404   2HA   GLY  51           HA2      GLY  51  -2.925  -8.470   8.179
  405    H    GLU  52           H        GLU  52  -3.321  -7.193   5.218
  406    HA   GLU  52           HA       GLU  52  -1.775  -9.279   3.875
  407   1HB   GLU  52           HB1      GLU  52  -4.172  -8.768   3.314
  408   2HB   GLU  52           HB2      GLU  52  -3.663  -7.157   2.744
  409   1HG   GLU  52           HG1      GLU  52  -3.962  -8.511   0.798
  410   2HG   GLU  52           HG2      GLU  52  -2.203  -8.307   0.938
  411    H    CYS  53           H        CYS  53  -1.566  -5.860   4.497
  412    HA   CYS  53           HA       CYS  53   0.203  -4.988   2.511
  413   1HB   CYS  53           HB1      CYS  53  -1.151  -3.424   3.687
  414   2HB   CYS  53           HB2      CYS  53  -0.656  -3.954   5.294
  415    H    ARG  54           H        ARG  54   1.018  -6.266   5.695
  416    HA   ARG  54           HA       ARG  54   3.920  -6.056   5.421
  417   1HB   ARG  54           HB1      ARG  54   3.990  -6.745   7.615
  418   2HB   ARG  54           HB2      ARG  54   2.689  -5.558   7.400
  419   1HG   ARG  54           HG1      ARG  54   1.164  -7.811   7.087
  420   2HG   ARG  54           HG2      ARG  54   2.524  -8.510   7.998
  421   1HD   ARG  54           HD1      ARG  54   2.211  -6.611   9.724
  422   2HD   ARG  54           HD2      ARG  54   0.731  -6.112   8.797
  423    HE   ARG  54           HE       ARG  54   0.118  -8.788   9.241
  424   1HH1  ARG  54           HH11     ARG  54   1.378  -6.564  11.721
  425   2HH1  ARG  54           HH12     ARG  54   1.182  -7.780  12.932
  426   1HH2  ARG  54           HH21     ARG  54   0.143 -10.236  10.776
  427   2HH2  ARG  54           HH22     ARG  54   0.405  -9.780  12.428
  428    H    LYS  55           H        LYS  55   1.510  -8.472   4.557
  429    HA   LYS  55           HA       LYS  55   3.205 -10.781   4.598
  430   1HB   LYS  55           HB1      LYS  55   0.789 -10.643   5.010
  431   2HB   LYS  55           HB2      LYS  55   0.460 -10.216   3.305
  432   1HG   LYS  55           HG1      LYS  55   1.281 -12.460   2.591
  433   2HG   LYS  55           HG2      LYS  55   1.789 -12.826   4.277
  434   1HD   LYS  55           HD1      LYS  55  -1.122 -12.341   3.375
  435   2HD   LYS  55           HD2      LYS  55  -0.350 -13.941   3.646
  436   1HE   LYS  55           HE1      LYS  55   0.019 -13.396   6.070
  437   2HE   LYS  55           HE2      LYS  55  -0.836 -11.815   5.848
  438   1HZ   LYS  55           HZ1      LYS  55  -1.987 -14.503   5.318
  439   2HZ   LYS  55           HZ2      LYS  55  -2.302 -13.509   6.658
  440   3HZ   LYS  55           HZ3      LYS  55  -2.776 -13.015   5.103
  441    H    LYS  56           H        LYS  56   2.865  -8.201   2.287
  442    HA   LYS  56           HA       LYS  56   4.143  -9.739   0.115
  443   1HB   LYS  56           HB1      LYS  56   2.013  -7.802   0.194
  444   2HB   LYS  56           HB2      LYS  56   3.365  -7.003  -0.662
  445   1HG   LYS  56           HG1      LYS  56   3.573  -8.969  -2.161
  446   2HG   LYS  56           HG2      LYS  56   2.162  -9.726  -1.455
  447   1HD   LYS  56           HD1      LYS  56   2.105  -6.942  -2.985
  448   2HD   LYS  56           HD2      LYS  56   1.778  -8.569  -3.628
  449   1HE   LYS  56           HE1      LYS  56  -0.169  -8.978  -2.260
  450   2HE   LYS  56           HE2      LYS  56   0.097  -7.469  -1.307
  451   1HZ   LYS  56           HZ1      LYS  56  -0.416  -7.608  -4.230
  452   2HZ   LYS  56           HZ2      LYS  56  -1.527  -7.165  -3.024
  453   3HZ   LYS  56           HZ3      LYS  56  -0.164  -6.196  -3.321
  454    H    CYS  57           H        CYS  57   4.772  -7.289   2.617
  455    HA   CYS  57           HA       CYS  57   7.321  -6.484   1.342
  456   1HB   CYS  57           HB1      CYS  57   5.126  -4.712   2.668
  457   2HB   CYS  57           HB2      CYS  57   6.711  -4.195   2.529
  458    H    LEU  58           H        LEU  58   6.483  -8.285   4.076
  459    HA   LEU  58           HA       LEU  58   9.045  -7.373   5.230
  460   1HB   LEU  58           HB1      LEU  58   6.431  -7.351   6.698
  461   2HB   LEU  58           HB2      LEU  58   7.863  -7.890   7.647
  462    HG   LEU  58           HG       LEU  58   7.643  -5.283   6.168
  463   1HD1  LEU  58           HD11     LEU  58   7.489  -6.003   9.197
  464   2HD1  LEU  58           HD12     LEU  58   7.598  -4.321   8.558
  465   3HD1  LEU  58           HD13     LEU  58   6.154  -5.333   8.194
  466   1HD2  LEU  58           HD21     LEU  58   9.880  -6.449   7.920
  467   2HD2  LEU  58           HD22     LEU  58  10.005  -5.810   6.235
  468   3HD2  LEU  58           HD23     LEU  58   9.710  -4.686   7.595
  469    H    GLY  59           H        GLY  59   7.005  -9.988   4.341
  470   1HA   GLY  59           HA1      GLY  59   7.307 -12.154   4.258
  471   2HA   GLY  59           HA2      GLY  59   8.833 -12.021   5.224
  472    H    LYS  60           H        LYS  60   5.344 -11.176   5.771
  473    HA   LYS  60           HA       LYS  60   5.467 -12.613   8.336
  474   1HB   LYS  60           HB1      LYS  60   3.500 -10.364   7.614
  475   2HB   LYS  60           HB2      LYS  60   3.976 -10.911   9.244
  476   1HG   LYS  60           HG1      LYS  60   6.428  -9.930   8.336
  477   2HG   LYS  60           HG2      LYS  60   5.325  -9.052   7.243
  478   1HD   LYS  60           HD1      LYS  60   5.458  -7.534   8.842
  479   2HD   LYS  60           HD2      LYS  60   4.015  -8.396   9.443
  480   1HE   LYS  60           HE1      LYS  60   5.328  -9.675  11.103
  481   2HE   LYS  60           HE2      LYS  60   6.858  -8.893  10.521
  482   1HZ   LYS  60           HZ1      LYS  60   4.492  -7.492  11.653
  483   2HZ   LYS  60           HZ2      LYS  60   5.960  -7.801  12.448
  484   3HZ   LYS  60           HZ3      LYS  60   5.924  -6.761  11.105
   
  No H/Q in entry =         484
  Start of MODEL   13
    1    H    TRP   1           H        TRP   1  13.363 -12.598   3.815
    2    HA   TRP   1           HA       TRP   1  11.758 -12.136   1.572
    3   1HB   TRP   1           HB1      TRP   1   9.838 -11.685   3.240
    4   2HB   TRP   1           HB2      TRP   1  10.984 -10.750   4.209
    5    HD1  TRP   1           HD1      TRP   1   8.793 -10.451   0.911
    6    HE1  TRP   1           HE1      TRP   1   8.497  -8.030   0.445
    7    HE3  TRP   1           HE3      TRP   1  12.014  -8.627   4.470
    8    HZ2  TRP   1           HZ2      TRP   1   9.661  -5.585   1.292
    9    HZ3  TRP   1           HZ3      TRP   1  12.310  -6.180   4.637
   10    HH2  TRP   1           HH2      TRP   1  11.126  -4.659   3.074
   11    H    GLN   2           H        GLN   2  12.474 -10.274   0.460
   12    HA   GLN   2           HA       GLN   2  14.334  -8.342   1.494
   13   1HB   GLN   2           HB1      GLN   2  15.000  -9.901  -1.141
   14   2HB   GLN   2           HB2      GLN   2  15.818  -8.482  -0.473
   15   1HG   GLN   2           HG1      GLN   2  17.346 -10.129   0.018
   16   2HG   GLN   2           HG2      GLN   2  16.523  -9.871   1.592
   17   1HE2  GLN   2           HE21     GLN   2  15.141 -13.314  -0.133
   18   2HE2  GLN   2           HE22     GLN   2  14.660 -11.749  -0.762
   19    HA   PRO   3           HA       PRO   3  10.891  -6.748  -0.451
   20   1HB   PRO   3           HB1      PRO   3  11.080  -4.256  -0.898
   21   2HB   PRO   3           HB2      PRO   3  11.643  -4.810   0.611
   22   1HG   PRO   3           HG1      PRO   3  13.826  -4.594  -1.456
   23   2HG   PRO   3           HG2      PRO   3  13.789  -3.807   0.175
   24   1HD   PRO   3           HD1      PRO   3  14.937  -6.230  -0.249
   25   2HD   PRO   3           HD2      PRO   3  13.897  -5.993   1.240
   26    HA   PRO   4           HA       PRO   4  11.056  -7.345  -5.001
   27   1HB   PRO   4           HB1      PRO   4   8.050  -7.815  -4.397
   28   2HB   PRO   4           HB2      PRO   4   9.168  -8.786  -5.439
   29   1HG   PRO   4           HG1      PRO   4   8.625  -9.733  -2.943
   30   2HG   PRO   4           HG2      PRO   4  10.325  -9.536  -3.409
   31   1HD   PRO   4           HD1      PRO   4   8.837  -7.230  -1.796
   32   2HD   PRO   4           HD2      PRO   4  10.162  -8.360  -1.413
   33    H    TRP   5           H        TRP   5   7.825  -6.364  -5.441
   34    HA   TRP   5           HA       TRP   5   8.601  -3.781  -6.533
   35   1HB   TRP   5           HB1      TRP   5   6.286  -3.667  -7.602
   36   2HB   TRP   5           HB2      TRP   5   7.467  -4.858  -8.144
   37    HD1  TRP   5           HD1      TRP   5   6.954  -7.408  -7.905
   38    HE1  TRP   5           HE1      TRP   5   4.623  -8.643  -7.838
   39    HE3  TRP   5           HE3      TRP   5   3.740  -3.833  -6.085
   40    HZ2  TRP   5           HZ2      TRP   5   1.910  -7.955  -7.985
   41    HZ3  TRP   5           HZ3      TRP   5   1.471  -4.056  -6.298
   42    HH2  TRP   5           HH2      TRP   5   0.446  -6.085  -7.278
   43    H    TYR   6           H        TYR   6   5.705  -4.737  -4.815
   44    HA   TYR   6           HA       TYR   6   4.317  -2.651  -4.226
   45   1HB   TYR   6           HB1      TYR   6   4.505  -4.470  -1.816
   46   2HB   TYR   6           HB2      TYR   6   3.141  -4.127  -2.901
   47    HD1  TYR   6           HD1      TYR   6   6.169  -6.233  -2.257
   48    HD2  TYR   6           HD2      TYR   6   2.641  -5.737  -4.618
   49    HE1  TYR   6           HE1      TYR   6   6.223  -8.661  -3.045
   50    HE2  TYR   6           HE2      TYR   6   2.779  -8.077  -5.370
   51    HH   TYR   6           HH       TYR   6   3.861 -10.043  -5.148
   52    H    CYS   7           H        CYS   7   6.813  -3.539  -1.919
   53    HA   CYS   7           HA       CYS   7   6.439  -1.818   0.028
   54   1HB   CYS   7           HB1      CYS   7   9.270  -2.757  -0.722
   55   2HB   CYS   7           HB2      CYS   7   8.481  -2.637   0.881
   56    H    LYS   8           H        LYS   8   8.146  -1.235  -2.914
   57    HA   LYS   8           HA       LYS   8   9.156   1.443  -2.209
   58   1HB   LYS   8           HB1      LYS   8   9.879  -0.713  -4.320
   59   2HB   LYS   8           HB2      LYS   8  10.774   0.832  -4.134
   60   1HG   LYS   8           HG1      LYS   8  11.907   0.088  -2.240
   61   2HG   LYS   8           HG2      LYS   8  10.591  -0.977  -1.691
   62   1HD   LYS   8           HD1      LYS   8  12.348  -2.421  -2.299
   63   2HD   LYS   8           HD2      LYS   8  11.004  -2.618  -3.470
   64   1HE   LYS   8           HE1      LYS   8  13.190  -2.677  -4.642
   65   2HE   LYS   8           HE2      LYS   8  12.255  -1.224  -5.171
   66   1HZ   LYS   8           HZ1      LYS   8  14.416  -1.272  -3.125
   67   2HZ   LYS   8           HZ2      LYS   8  14.540  -0.707  -4.722
   68   3HZ   LYS   8           HZ3      LYS   8  13.532   0.094  -3.613
   69    H    GLU   9           H        GLU   9   6.296   0.283  -3.380
   70    HA   GLU   9           HA       GLU   9   6.375   1.164  -6.102
   71   1HB   GLU   9           HB1      GLU   9   5.454  -0.904  -5.377
   72   2HB   GLU   9           HB2      GLU   9   4.144  -0.038  -4.563
   73   1HG   GLU   9           HG1      GLU   9   3.384  -0.825  -6.691
   74   2HG   GLU   9           HG2      GLU   9   3.484   0.937  -6.912
   75    HA   PRO  10           HA       PRO  10   4.829   5.220  -5.312
   76   1HB   PRO  10           HB1      PRO  10   3.561   5.100  -8.097
   77   2HB   PRO  10           HB2      PRO  10   4.597   6.395  -7.367
   78   1HG   PRO  10           HG1      PRO  10   5.652   4.595  -9.078
   79   2HG   PRO  10           HG2      PRO  10   6.557   4.940  -7.548
   80   1HD   PRO  10           HD1      PRO  10   4.542   2.663  -8.056
   81   2HD   PRO  10           HD2      PRO  10   6.258   2.529  -7.464
   82    H    VAL  11           H        VAL  11   3.187   5.673  -3.871
   83    HA   VAL  11           HA       VAL  11   0.578   4.628  -3.885
   84    HB   VAL  11           HB       VAL  11   1.945   5.080  -1.949
   85   1HG1  VAL  11           HG11     VAL  11   3.083   7.239  -2.616
   86   2HG1  VAL  11           HG12     VAL  11   1.513   8.105  -2.424
   87   3HG1  VAL  11           HG13     VAL  11   2.292   7.313  -1.011
   88   1HG2  VAL  11           HG21     VAL  11  -0.780   6.496  -2.084
   89   2HG2  VAL  11           HG22     VAL  11  -0.395   4.791  -1.656
   90   3HG2  VAL  11           HG23     VAL  11   0.103   6.124  -0.557
   91    H    ARG  12           H        ARG  12  -1.344   5.394  -4.752
   92    HA   ARG  12           HA       ARG  12  -1.451   8.032  -6.093
   93   1HB   ARG  12           HB1      ARG  12  -2.011   5.276  -7.251
   94   2HB   ARG  12           HB2      ARG  12  -2.497   6.799  -8.109
   95   1HG   ARG  12           HG1      ARG  12   0.382   6.022  -7.451
   96   2HG   ARG  12           HG2      ARG  12  -0.519   5.613  -8.923
   97   1HD   ARG  12           HD1      ARG  12   0.920   7.636  -9.311
   98   2HD   ARG  12           HD2      ARG  12  -0.818   7.640  -9.761
   99    HE   ARG  12           HE       ARG  12   0.349   9.246  -7.394
  100   1HH1  ARG  12           HH11     ARG  12  -2.265   8.769  -9.689
  101   2HH1  ARG  12           HH12     ARG  12  -2.826  10.411  -9.518
  102   1HH2  ARG  12           HH21     ARG  12  -0.648  11.120  -6.929
  103   2HH2  ARG  12           HH22     ARG  12  -2.052  11.620  -7.807
  104    H    ILE  13           H        ILE  13  -3.357   9.047  -5.479
  105    HA   ILE  13           HA       ILE  13  -5.627   7.598  -4.458
  106    HB   ILE  13           HB       ILE  13  -4.649   9.484  -3.315
  107   1HG1  ILE  13           HG11     ILE  13  -7.652   9.718  -3.991
  108   2HG1  ILE  13           HG12     ILE  13  -6.846   8.456  -3.013
  109   1HG2  ILE  13           HG21     ILE  13  -4.421  11.288  -5.150
  110   2HG2  ILE  13           HG22     ILE  13  -6.240  11.231  -5.271
  111   3HG2  ILE  13           HG23     ILE  13  -5.429  11.760  -3.773
  112   1HD1  ILE  13           HD11     ILE  13  -6.135  10.154  -1.317
  113   2HD1  ILE  13           HD12     ILE  13  -6.994  11.445  -2.264
  114   3HD1  ILE  13           HD13     ILE  13  -7.932  10.110  -1.506
  115    H    GLY  14           H        GLY  14  -5.021   9.603  -7.300
  116   1HA   GLY  14           HA1      GLY  14  -6.258   9.695  -9.316
  117   2HA   GLY  14           HA2      GLY  14  -7.470   8.598  -8.585
  118    H    SER  15           H        SER  15  -9.025  10.189  -9.791
  119    HA   SER  15           HA       SER  15 -10.051  12.069  -7.856
  120   1HB   SER  15           HB1      SER  15  -8.890  13.279 -10.475
  121   2HB   SER  15           HB2      SER  15 -10.008  14.137  -9.354
  122    HG   SER  15           HG       SER  15  -7.799  13.027  -8.116
  123    H    CYS  16           H        CYS  16 -11.609  10.178  -8.274
  124    HA   CYS  16           HA       CYS  16 -13.179  10.692 -10.744
  125   1HB   CYS  16           HB1      CYS  16 -12.387   8.111  -9.297
  126   2HB   CYS  16           HB2      CYS  16 -13.803   8.189 -10.384
  127    H    LYS  17           H        LYS  17 -13.905   8.696  -7.981
  128    HA   LYS  17           HA       LYS  17 -16.580   9.954  -7.935
  129   1HB   LYS  17           HB1      LYS  17 -15.613   7.213  -6.925
  130   2HB   LYS  17           HB2      LYS  17 -17.311   7.796  -6.880
  131   1HG   LYS  17           HG1      LYS  17 -15.610   7.310  -9.384
  132   2HG   LYS  17           HG2      LYS  17 -16.837   6.207  -8.706
  133   1HD   LYS  17           HD1      LYS  17 -17.427   9.038  -9.856
  134   2HD   LYS  17           HD2      LYS  17 -17.597   7.468 -10.694
  135   1HE   LYS  17           HE1      LYS  17 -19.800   7.990 -10.074
  136   2HE   LYS  17           HE2      LYS  17 -19.288   6.761  -8.848
  137   1HZ   LYS  17           HZ1      LYS  17 -19.342   9.723  -8.510
  138   2HZ   LYS  17           HZ2      LYS  17 -20.461   8.610  -7.881
  139   3HZ   LYS  17           HZ3      LYS  17 -18.852   8.600  -7.335
  140    H    LYS  18           H        LYS  18 -14.478   8.465  -5.440
  141    HA   LYS  18           HA       LYS  18 -15.338  10.547  -3.520
  142   1HB   LYS  18           HB1      LYS  18 -17.066   8.651  -3.599
  143   2HB   LYS  18           HB2      LYS  18 -15.771   7.481  -3.251
  144   1HG   LYS  18           HG1      LYS  18 -17.286   7.864  -1.378
  145   2HG   LYS  18           HG2      LYS  18 -15.642   8.237  -0.924
  146   1HD   LYS  18           HD1      LYS  18 -16.532  10.788  -1.728
  147   2HD   LYS  18           HD2      LYS  18 -18.095  10.021  -1.318
  148   1HE   LYS  18           HE1      LYS  18 -17.203  11.279   0.635
  149   2HE   LYS  18           HE2      LYS  18 -17.107   9.510   1.021
  150   1HZ   LYS  18           HZ1      LYS  18 -14.903  11.218  -0.032
  151   2HZ   LYS  18           HZ2      LYS  18 -15.087  10.676   1.567
  152   3HZ   LYS  18           HZ3      LYS  18 -14.798   9.560   0.320
  153    H    GLN  19           H        GLN  19 -14.243   8.929  -1.374
  154    HA   GLN  19           HA       GLN  19 -11.494   8.296  -2.108
  155   1HB   GLN  19           HB1      GLN  19 -11.906   9.513   0.650
  156   2HB   GLN  19           HB2      GLN  19 -10.517   9.520  -0.484
  157   1HG   GLN  19           HG1      GLN  19 -12.990  11.385  -0.561
  158   2HG   GLN  19           HG2      GLN  19 -11.371  11.676   0.180
  159   1HE2  GLN  19           HE21     GLN  19 -11.686  12.616  -3.705
  160   2HE2  GLN  19           HE22     GLN  19 -13.108  12.324  -2.739
  161    H    PHE  20           H        PHE  20 -11.680   5.997  -1.833
  162    HA   PHE  20           HA       PHE  20 -13.369   4.963   0.351
  163   1HB   PHE  20           HB1      PHE  20 -12.190   3.351  -1.987
  164   2HB   PHE  20           HB2      PHE  20 -13.521   2.960  -0.888
  165    HD1  PHE  20           HD1      PHE  20 -15.651   4.468  -0.898
  166    HD2  PHE  20           HD2      PHE  20 -12.831   4.448  -4.203
  167    HE1  PHE  20           HE1      PHE  20 -17.437   5.101  -2.473
  168    HE2  PHE  20           HE2      PHE  20 -14.614   5.128  -5.703
  169    HZ   PHE  20           HZ       PHE  20 -16.937   5.399  -4.875
  170    H    SER  21           H        SER  21 -12.275   3.718   2.038
  171    HA   SER  21           HA       SER  21  -9.576   4.209   2.530
  172   1HB   SER  21           HB1      SER  21 -11.459   3.781   4.184
  173   2HB   SER  21           HB2      SER  21 -11.237   2.025   3.941
  174    HG   SER  21           HG       SER  21  -9.166   2.241   4.841
  175    H    SER  22           H        SER  22  -7.696   3.399   1.902
  176    HA   SER  22           HA       SER  22  -7.389   0.563   1.171
  177   1HB   SER  22           HB1      SER  22  -6.510   1.215  -0.858
  178   2HB   SER  22           HB2      SER  22  -6.936   2.888  -0.477
  179    HG   SER  22           HG       SER  22  -4.862   2.958   0.667
  180    H    PHE  23           H        PHE  23  -4.745   0.556   1.044
  181    HA   PHE  23           HA       PHE  23  -3.339   1.430   3.421
  182   1HB   PHE  23           HB1      PHE  23  -4.063  -1.439   2.990
  183   2HB   PHE  23           HB2      PHE  23  -2.472  -1.254   3.727
  184    HD1  PHE  23           HD1      PHE  23  -2.352   0.155   5.894
  185    HD2  PHE  23           HD2      PHE  23  -5.999  -1.441   4.292
  186    HE1  PHE  23           HE1      PHE  23  -3.363   0.268   8.149
  187    HE2  PHE  23           HE2      PHE  23  -7.023  -1.378   6.573
  188    HZ   PHE  23           HZ       PHE  23  -5.699  -0.535   8.496
  189    H    TYR  24           H        TYR  24  -1.117   1.328   3.154
  190    HA   TYR  24           HA       TYR  24   0.068  -0.031   0.888
  191   1HB   TYR  24           HB1      TYR  24   1.078   1.685  -0.334
  192   2HB   TYR  24           HB2      TYR  24  -0.562   2.282  -0.045
  193    HD1  TYR  24           HD1      TYR  24  -0.873   4.074   1.952
  194    HD2  TYR  24           HD2      TYR  24   2.968   2.948   0.315
  195    HE1  TYR  24           HE1      TYR  24   0.068   6.166   2.760
  196    HE2  TYR  24           HE2      TYR  24   3.942   5.068   1.281
  197    HH   TYR  24           HH       TYR  24   1.890   7.482   2.917
  198    H    PHE  25           H        PHE  25   2.612   0.098   1.046
  199    HA   PHE  25           HA       PHE  25   3.384  -0.135   3.896
  200   1HB   PHE  25           HB1      PHE  25   3.706  -2.046   2.144
  201   2HB   PHE  25           HB2      PHE  25   5.012  -1.072   1.419
  202    HD1  PHE  25           HD1      PHE  25   7.134  -0.659   2.818
  203    HD2  PHE  25           HD2      PHE  25   3.989  -3.330   4.225
  204    HE1  PHE  25           HE1      PHE  25   8.587  -1.689   4.585
  205    HE2  PHE  25           HE2      PHE  25   5.326  -4.230   5.875
  206    HZ   PHE  25           HZ       PHE  25   7.742  -3.420   6.075
  207    H    LYS  26           H        LYS  26   4.729   1.700   4.858
  208    HA   LYS  26           HA       LYS  26   5.675   3.608   3.001
  209   1HB   LYS  26           HB1      LYS  26   4.675   4.405   5.017
  210   2HB   LYS  26           HB2      LYS  26   6.051   3.801   6.006
  211   1HG   LYS  26           HG1      LYS  26   7.637   5.198   4.581
  212   2HG   LYS  26           HG2      LYS  26   6.242   5.318   3.444
  213   1HD   LYS  26           HD1      LYS  26   6.715   7.361   4.394
  214   2HD   LYS  26           HD2      LYS  26   5.033   6.762   4.677
  215   1HE   LYS  26           HE1      LYS  26   5.784   6.257   7.136
  216   2HE   LYS  26           HE2      LYS  26   7.439   6.791   6.611
  217   1HZ   LYS  26           HZ1      LYS  26   6.559   8.983   6.214
  218   2HZ   LYS  26           HZ2      LYS  26   4.996   8.489   6.662
  219   3HZ   LYS  26           HZ3      LYS  26   6.245   8.505   7.813
  220    H    TRP  27           H        TRP  27   7.533   2.800   1.917
  221    HA   TRP  27           HA       TRP  27   9.234   0.851   2.395
  222   1HB   TRP  27           HB1      TRP  27   8.909   2.106   0.286
  223   2HB   TRP  27           HB2      TRP  27   9.328   3.568   1.093
  224    HD1  TRP  27           HD1      TRP  27  11.413   4.398  -0.166
  225    HE1  TRP  27           HE1      TRP  27  13.719   3.408  -0.848
  226    HE3  TRP  27           HE3      TRP  27  10.630  -0.394   1.279
  227    HZ2  TRP  27           HZ2      TRP  27  15.023   0.894  -0.720
  228    HZ3  TRP  27           HZ3      TRP  27  12.412  -2.050   1.064
  229    HH2  TRP  27           HH2      TRP  27  14.615  -1.430   0.047
  230    H    THR  28           H        THR  28   9.800   4.205   3.499
  231    HA   THR  28           HA       THR  28  12.376   3.696   4.579
  232    HB   THR  28           HB       THR  28  12.062   6.214   5.265
  233    HG1  THR  28           HG1      THR  28  10.488   7.142   3.863
  234   1HG2  THR  28           HG21     THR  28  13.430   5.325   3.345
  235   2HG2  THR  28           HG22     THR  28  11.958   5.275   2.316
  236   3HG2  THR  28           HG23     THR  28  12.592   6.855   2.912
  237    H    ALA  29           H        ALA  29   9.019   3.837   5.976
  238    HA   ALA  29           HA       ALA  29  10.091   4.001   8.697
  239   1HB   ALA  29           HB1      ALA  29   7.240   3.417   7.649
  240   2HB   ALA  29           HB2      ALA  29   7.668   3.620   9.389
  241   3HB   ALA  29           HB3      ALA  29   7.888   4.978   8.284
  242    H    LYS  30           H        LYS  30   9.366   1.491   6.418
  243    HA   LYS  30           HA       LYS  30   9.537  -0.712   6.410
  244   1HB   LYS  30           HB1      LYS  30  10.815  -0.595   9.120
  245   2HB   LYS  30           HB2      LYS  30  10.690  -2.059   8.100
  246   1HG   LYS  30           HG1      LYS  30  12.042   0.591   7.251
  247   2HG   LYS  30           HG2      LYS  30  12.871  -0.842   7.936
  248   1HD   LYS  30           HD1      LYS  30  11.411  -0.749   5.214
  249   2HD   LYS  30           HD2      LYS  30  13.168  -0.614   5.498
  250   1HE   LYS  30           HE1      LYS  30  13.175  -2.937   6.538
  251   2HE   LYS  30           HE2      LYS  30  11.437  -3.111   6.063
  252   1HZ   LYS  30           HZ1      LYS  30  13.728  -2.599   4.230
  253   2HZ   LYS  30           HZ2      LYS  30  12.916  -4.074   4.456
  254   3HZ   LYS  30           HZ3      LYS  30  12.100  -2.751   3.772
  255    H    LYS  31           H        LYS  31   7.187   0.786   7.382
  256    HA   LYS  31           HA       LYS  31   5.568  -1.416   8.306
  257   1HB   LYS  31           HB1      LYS  31   6.375   0.952   9.953
  258   2HB   LYS  31           HB2      LYS  31   4.606   0.739  10.014
  259   1HG   LYS  31           HG1      LYS  31   6.478  -1.607  10.626
  260   2HG   LYS  31           HG2      LYS  31   6.114  -0.330  11.825
  261   1HD   LYS  31           HD1      LYS  31   3.696  -0.687  11.633
  262   2HD   LYS  31           HD2      LYS  31   3.927  -2.023  10.460
  263   1HE   LYS  31           HE1      LYS  31   5.016  -1.992  13.364
  264   2HE   LYS  31           HE2      LYS  31   3.497  -2.817  12.824
  265   1HZ   LYS  31           HZ1      LYS  31   4.811  -4.153  11.327
  266   2HZ   LYS  31           HZ2      LYS  31   6.240  -3.387  11.834
  267   3HZ   LYS  31           HZ3      LYS  31   5.341  -4.322  12.932
  268    H    CYS  32           H        CYS  32   3.233  -0.897   8.397
  269    HA   CYS  32           HA       CYS  32   2.471   0.203   5.839
  270   1HB   CYS  32           HB1      CYS  32   1.002  -1.506   7.923
  271   2HB   CYS  32           HB2      CYS  32   0.358  -1.203   6.253
  272    H    LEU  33           H        LEU  33   0.966   1.716   5.316
  273    HA   LEU  33           HA       LEU  33  -0.175   3.335   7.521
  274   1HB   LEU  33           HB1      LEU  33   0.813   4.422   4.806
  275   2HB   LEU  33           HB2      LEU  33   0.135   5.366   6.170
  276    HG   LEU  33           HG       LEU  33   2.885   4.014   6.018
  277   1HD1  LEU  33           HD11     LEU  33   1.884   6.929   6.168
  278   2HD1  LEU  33           HD12     LEU  33   3.595   6.402   6.342
  279   3HD1  LEU  33           HD13     LEU  33   2.731   6.090   4.801
  280   1HD2  LEU  33           HD21     LEU  33   1.535   5.573   8.354
  281   2HD2  LEU  33           HD22     LEU  33   1.992   3.837   8.430
  282   3HD2  LEU  33           HD23     LEU  33   3.261   5.091   8.285
  283    HA   PRO  34           HA       PRO  34  -3.822   2.980   4.624
  284   1HB   PRO  34           HB1      PRO  34  -5.719   4.260   6.107
  285   2HB   PRO  34           HB2      PRO  34  -4.960   2.753   6.717
  286   1HG   PRO  34           HG1      PRO  34  -4.248   5.628   7.548
  287   2HG   PRO  34           HG2      PRO  34  -4.517   4.198   8.619
  288   1HD   PRO  34           HD1      PRO  34  -1.980   5.153   7.535
  289   2HD   PRO  34           HD2      PRO  34  -2.278   3.507   8.284
  290    H    PHE  35           H        PHE  35  -4.527   4.082   2.998
  291    HA   PHE  35           HA       PHE  35  -4.571   6.969   2.987
  292   1HB   PHE  35           HB1      PHE  35  -3.172   7.538   1.290
  293   2HB   PHE  35           HB2      PHE  35  -2.261   6.163   1.925
  294    HD1  PHE  35           HD1      PHE  35  -2.533   3.865   0.670
  295    HD2  PHE  35           HD2      PHE  35  -4.101   7.578  -1.012
  296    HE1  PHE  35           HE1      PHE  35  -2.722   2.845  -1.498
  297    HE2  PHE  35           HE2      PHE  35  -4.249   6.481  -3.119
  298    HZ   PHE  35           HZ       PHE  35  -3.578   4.137  -3.442
  299    H    LEU  36           H        LEU  36  -6.215   7.531   1.128
  300    HA   LEU  36           HA       LEU  36  -8.096   5.322   0.736
  301   1HB   LEU  36           HB1      LEU  36  -8.566   8.402   0.738
  302   2HB   LEU  36           HB2      LEU  36  -9.710   7.141   0.298
  303    HG   LEU  36           HG       LEU  36  -9.477   6.126   2.568
  304   1HD1  LEU  36           HD11     LEU  36  -8.204   8.794   3.245
  305   2HD1  LEU  36           HD12     LEU  36  -9.011   7.683   4.436
  306   3HD1  LEU  36           HD13     LEU  36  -7.589   7.078   3.525
  307   1HD2  LEU  36           HD21     LEU  36 -11.503   7.371   1.891
  308   2HD2  LEU  36           HD22     LEU  36 -11.121   7.628   3.616
  309   3HD2  LEU  36           HD23     LEU  36 -10.739   8.921   2.425
  310    H    PHE  37           H        PHE  37  -9.086   5.258  -1.335
  311    HA   PHE  37           HA       PHE  37  -7.561   6.390  -3.663
  312   1HB   PHE  37           HB1      PHE  37  -6.862   4.087  -3.407
  313   2HB   PHE  37           HB2      PHE  37  -8.557   3.637  -2.899
  314    HD1  PHE  37           HD1      PHE  37  -7.100   5.180  -6.285
  315    HD2  PHE  37           HD2      PHE  37  -9.513   2.182  -4.233
  316    HE1  PHE  37           HE1      PHE  37  -7.873   4.276  -8.367
  317    HE2  PHE  37           HE2      PHE  37 -10.169   1.299  -6.446
  318    HZ   PHE  37           HZ       PHE  37  -9.125   2.173  -8.478
  319    H    SER  38           H        SER  38  -8.826   7.232  -5.468
  320    HA   SER  38           HA       SER  38 -11.615   7.697  -4.871
  321   1HB   SER  38           HB1      SER  38  -9.888   9.404  -5.705
  322   2HB   SER  38           HB2      SER  38 -10.124   8.729  -7.347
  323    HG   SER  38           HG       SER  38 -12.165   9.746  -5.577
  324    H    GLY  39           H        GLY  39 -10.105   5.326  -6.850
  325   1HA   GLY  39           HA1      GLY  39 -11.435   3.489  -7.353
  326   2HA   GLY  39           HA2      GLY  39 -12.732   4.438  -7.928
  327    H    CYS  40           H        CYS  40 -10.746   6.173  -9.532
  328    HA   CYS  40           HA       CYS  40  -9.546   4.271 -11.397
  329   1HB   CYS  40           HB1      CYS  40 -10.388   5.863 -13.373
  330   2HB   CYS  40           HB2      CYS  40 -11.348   4.506 -12.759
  331    H    GLY  41           H        GLY  41  -7.586   5.088 -12.275
  332   1HA   GLY  41           HA1      GLY  41  -5.934   6.875 -12.445
  333   2HA   GLY  41           HA2      GLY  41  -6.737   7.738 -11.127
  334    H    GLY  42           H        GLY  42  -6.376   4.424 -10.363
  335   1HA   GLY  42           HA1      GLY  42  -3.997   4.976  -8.673
  336   2HA   GLY  42           HA2      GLY  42  -5.273   3.734  -8.447
  337    H    ASN  43           H        ASN  43  -3.054   2.547  -8.021
  338    HA   ASN  43           HA       ASN  43  -2.403   1.192 -10.585
  339   1HB   ASN  43           HB1      ASN  43  -0.043   0.974 -10.124
  340   2HB   ASN  43           HB2      ASN  43  -0.622   2.659 -10.251
  341   1HD2  ASN  43           HD21     ASN  43   1.479   3.321  -7.604
  342   2HD2  ASN  43           HD22     ASN  43   1.182   3.382  -9.341
  343    H    ALA  44           H        ALA  44  -0.748   0.057  -7.824
  344    HA   ALA  44           HA       ALA  44  -2.541  -2.255  -7.501
  345   1HB   ALA  44           HB1      ALA  44  -1.374  -2.744  -9.651
  346   2HB   ALA  44           HB2      ALA  44   0.222  -2.587  -8.850
  347   3HB   ALA  44           HB3      ALA  44  -0.930  -3.933  -8.405
  348    H    ASN  45           H        ASN  45  -0.621  -0.046  -5.985
  349    HA   ASN  45           HA       ASN  45   0.369  -1.940  -3.938
  350   1HB   ASN  45           HB1      ASN  45   1.887  -0.079  -4.960
  351   2HB   ASN  45           HB2      ASN  45   0.941   1.115  -4.067
  352   1HD2  ASN  45           HD21     ASN  45   3.655   0.514  -1.801
  353   2HD2  ASN  45           HD22     ASN  45   2.783   1.637  -2.797
  354    H    ARG  46           H        ARG  46  -2.517  -1.695  -3.992
  355    HA   ARG  46           HA       ARG  46  -3.016  -0.192  -1.551
  356   1HB   ARG  46           HB1      ARG  46  -5.018   0.819  -2.175
  357   2HB   ARG  46           HB2      ARG  46  -3.662   1.415  -3.131
  358   1HG   ARG  46           HG1      ARG  46  -5.820  -0.571  -4.041
  359   2HG   ARG  46           HG2      ARG  46  -5.878   1.215  -4.285
  360   1HD   ARG  46           HD1      ARG  46  -4.061  -0.778  -5.729
  361   2HD   ARG  46           HD2      ARG  46  -5.271   0.333  -6.460
  362    HE   ARG  46           HE       ARG  46  -2.502   0.946  -5.696
  363   1HH1  ARG  46           HH11     ARG  46  -5.567   2.761  -6.094
  364   2HH1  ARG  46           HH12     ARG  46  -4.644   4.263  -5.941
  365   1HH2  ARG  46           HH21     ARG  46  -1.599   2.810  -5.800
  366   2HH2  ARG  46           HH22     ARG  46  -2.591   4.267  -5.960
  367    H    PHE  47           H        PHE  47  -3.325  -1.425  -0.160
  368    HA   PHE  47           HA       PHE  47  -3.965  -4.237  -0.591
  369   1HB   PHE  47           HB1      PHE  47  -2.852  -2.562   1.722
  370   2HB   PHE  47           HB2      PHE  47  -2.881  -4.326   1.822
  371    HD1  PHE  47           HD1      PHE  47  -1.879  -3.800  -1.630
  372    HD2  PHE  47           HD2      PHE  47  -0.548  -3.128   2.408
  373    HE1  PHE  47           HE1      PHE  47   0.403  -3.662  -2.404
  374    HE2  PHE  47           HE2      PHE  47   1.793  -3.052   1.613
  375    HZ   PHE  47           HZ       PHE  47   2.274  -3.309  -0.803
  376    H    GLN  48           H        GLN  48  -5.452  -5.468   0.625
  377    HA   GLN  48           HA       GLN  48  -7.963  -4.161   0.955
  378   1HB   GLN  48           HB1      GLN  48  -7.134  -7.072   1.571
  379   2HB   GLN  48           HB2      GLN  48  -8.827  -6.491   1.381
  380   1HG   GLN  48           HG1      GLN  48  -8.525  -6.068  -1.012
  381   2HG   GLN  48           HG2      GLN  48  -6.780  -6.475  -0.983
  382   1HE2  GLN  48           HE21     GLN  48  -7.535 -10.025  -0.499
  383   2HE2  GLN  48           HE22     GLN  48  -6.279  -8.832  -0.221
  384    H    THR  49           H        THR  49  -5.779  -5.578   3.338
  385    HA   THR  49           HA       THR  49  -7.124  -4.291   5.587
  386    HB   THR  49           HB       THR  49  -6.724  -6.303   7.050
  387    HG1  THR  49           HG1      THR  49  -6.472  -7.837   4.703
  388   1HG2  THR  49           HG21     THR  49  -8.973  -5.919   6.055
  389   2HG2  THR  49           HG22     THR  49  -8.558  -6.953   4.648
  390   3HG2  THR  49           HG23     THR  49  -8.615  -7.662   6.302
  391    H    ILE  50           H        ILE  50  -5.335  -4.633   7.574
  392    HA   ILE  50           HA       ILE  50  -2.837  -3.629   6.554
  393    HB   ILE  50           HB       ILE  50  -3.840  -2.685   8.511
  394   1HG1  ILE  50           HG11     ILE  50  -1.085  -3.887   9.175
  395   2HG1  ILE  50           HG12     ILE  50  -1.357  -2.596   7.960
  396   1HG2  ILE  50           HG21     ILE  50  -4.808  -4.779   9.568
  397   2HG2  ILE  50           HG22     ILE  50  -3.136  -5.329   9.965
  398   3HG2  ILE  50           HG23     ILE  50  -3.794  -3.837  10.707
  399   1HD1  ILE  50           HD11     ILE  50  -2.308  -1.113   9.753
  400   2HD1  ILE  50           HD12     ILE  50  -1.991  -2.397  10.976
  401   3HD1  ILE  50           HD13     ILE  50  -0.623  -1.611  10.111
  402    H    GLY  51           H        GLY  51  -3.989  -6.817   7.168
  403   1HA   GLY  51           HA1      GLY  51  -1.455  -8.085   7.643
  404   2HA   GLY  51           HA2      GLY  51  -3.015  -8.829   7.263
  405    H    GLU  52           H        GLU  52  -3.058  -7.041   4.708
  406    HA   GLU  52           HA       GLU  52  -1.700  -8.890   2.914
  407   1HB   GLU  52           HB1      GLU  52  -4.003  -8.217   2.524
  408   2HB   GLU  52           HB2      GLU  52  -3.547  -6.490   2.544
  409   1HG   GLU  52           HG1      GLU  52  -4.127  -7.298   0.289
  410   2HG   GLU  52           HG2      GLU  52  -2.480  -6.652   0.342
  411    H    CYS  53           H        CYS  53  -0.716  -6.308   4.655
  412    HA   CYS  53           HA       CYS  53   1.138  -5.053   2.786
  413   1HB   CYS  53           HB1      CYS  53  -0.497  -3.930   4.596
  414   2HB   CYS  53           HB2      CYS  53   0.615  -4.509   5.786
  415    H    ARG  54           H        ARG  54   1.087  -7.262   5.257
  416    HA   ARG  54           HA       ARG  54   3.888  -7.488   6.097
  417   1HB   ARG  54           HB1      ARG  54   1.127  -8.679   6.745
  418   2HB   ARG  54           HB2      ARG  54   2.525  -9.648   7.223
  419   1HG   ARG  54           HG1      ARG  54   1.884  -8.524   9.086
  420   2HG   ARG  54           HG2      ARG  54   3.427  -7.754   8.575
  421   1HD   ARG  54           HD1      ARG  54   0.725  -6.563   7.778
  422   2HD   ARG  54           HD2      ARG  54   1.277  -6.384   9.456
  423    HE   ARG  54           HE       ARG  54   2.649  -5.086   7.065
  424   1HH1  ARG  54           HH11     ARG  54   2.975  -5.924  10.461
  425   2HH1  ARG  54           HH12     ARG  54   4.124  -4.650  10.746
  426   1HH2  ARG  54           HH21     ARG  54   4.290  -3.603   7.509
  427   2HH2  ARG  54           HH22     ARG  54   4.847  -3.480   9.145
  428    H    LYS  55           H        LYS  55   1.482  -9.066   4.221
  429    HA   LYS  55           HA       LYS  55   2.755 -11.481   3.472
  430   1HB   LYS  55           HB1      LYS  55   0.328 -10.847   3.766
  431   2HB   LYS  55           HB2      LYS  55   0.370 -10.010   2.178
  432   1HG   LYS  55           HG1      LYS  55   1.057 -12.364   1.223
  433   2HG   LYS  55           HG2      LYS  55   0.634 -13.016   2.844
  434   1HD   LYS  55           HD1      LYS  55  -1.175 -11.488   0.885
  435   2HD   LYS  55           HD2      LYS  55  -1.277 -13.238   1.246
  436   1HE   LYS  55           HE1      LYS  55  -2.181 -12.814   3.492
  437   2HE   LYS  55           HE2      LYS  55  -1.854 -11.046   3.391
  438   1HZ   LYS  55           HZ1      LYS  55  -3.729 -12.528   1.653
  439   2HZ   LYS  55           HZ2      LYS  55  -4.117 -11.505   2.953
  440   3HZ   LYS  55           HZ3      LYS  55  -3.369 -10.869   1.566
  441    H    LYS  56           H        LYS  56   2.694  -8.276   2.009
  442    HA   LYS  56           HA       LYS  56   4.087  -9.204  -0.436
  443   1HB   LYS  56           HB1      LYS  56   2.442  -6.718   0.216
  444   2HB   LYS  56           HB2      LYS  56   3.586  -6.699  -1.147
  445   1HG   LYS  56           HG1      LYS  56   2.607  -8.736  -2.087
  446   2HG   LYS  56           HG2      LYS  56   1.276  -8.697  -0.889
  447   1HD   LYS  56           HD1      LYS  56   1.739  -6.170  -2.709
  448   2HD   LYS  56           HD2      LYS  56   1.140  -7.705  -3.415
  449   1HE   LYS  56           HE1      LYS  56  -0.777  -7.846  -1.937
  450   2HE   LYS  56           HE2      LYS  56  -0.300  -6.307  -1.108
  451   1HZ   LYS  56           HZ1      LYS  56  -0.893  -6.659  -4.017
  452   2HZ   LYS  56           HZ2      LYS  56  -1.925  -5.968  -2.857
  453   3HZ   LYS  56           HZ3      LYS  56  -0.464  -5.201  -3.257
  454    H    CYS  57           H        CYS  57   4.617  -7.014   2.418
  455    HA   CYS  57           HA       CYS  57   7.403  -6.487   1.314
  456   1HB   CYS  57           HB1      CYS  57   5.315  -4.777   2.664
  457   2HB   CYS  57           HB2      CYS  57   7.025  -4.221   2.471
  458    H    LEU  58           H        LEU  58   6.276  -8.412   3.858
  459    HA   LEU  58           HA       LEU  58   8.837  -7.707   5.155
  460   1HB   LEU  58           HB1      LEU  58   6.274  -7.742   6.707
  461   2HB   LEU  58           HB2      LEU  58   7.820  -8.209   7.508
  462    HG   LEU  58           HG       LEU  58   7.325  -5.581   6.120
  463   1HD1  LEU  58           HD11     LEU  58   6.037  -5.889   8.269
  464   2HD1  LEU  58           HD12     LEU  58   7.565  -6.319   9.126
  465   3HD1  LEU  58           HD13     LEU  58   7.347  -4.658   8.464
  466   1HD2  LEU  58           HD21     LEU  58   9.793  -6.543   7.658
  467   2HD2  LEU  58           HD22     LEU  58   9.716  -5.993   5.934
  468   3HD2  LEU  58           HD23     LEU  58   9.426  -4.824   7.251
  469    H    GLY  59           H        GLY  59   6.576 -10.170   4.173
  470   1HA   GLY  59           HA1      GLY  59   6.926 -12.312   3.793
  471   2HA   GLY  59           HA2      GLY  59   8.458 -12.282   4.747
  472    H    LYS  60           H        LYS  60   5.016 -11.425   5.512
  473    HA   LYS  60           HA       LYS  60   4.804 -13.530   7.467
  474   1HB   LYS  60           HB1      LYS  60   4.476 -11.783   9.321
  475   2HB   LYS  60           HB2      LYS  60   6.187 -11.979   8.808
  476   1HG   LYS  60           HG1      LYS  60   6.067  -9.906   7.382
  477   2HG   LYS  60           HG2      LYS  60   4.416  -9.640   7.848
  478   1HD   LYS  60           HD1      LYS  60   6.886  -9.474   9.621
  479   2HD   LYS  60           HD2      LYS  60   5.694  -8.209   9.157
  480   1HE   LYS  60           HE1      LYS  60   3.946  -9.617  10.564
  481   2HE   LYS  60           HE2      LYS  60   5.377 -10.513  11.192
  482   1HZ   LYS  60           HZ1      LYS  60   6.303  -8.417  11.914
  483   2HZ   LYS  60           HZ2      LYS  60   4.957  -7.572  11.313
  484   3HZ   LYS  60           HZ3      LYS  60   4.766  -8.679  12.587
   
  No H/Q in entry =         484
  Start of MODEL   14
    1    H    TRP   1           H        TRP   1  12.265 -12.751   4.190
    2    HA   TRP   1           HA       TRP   1  11.654 -12.365   1.371
    3   1HB   TRP   1           HB1      TRP   1   9.613 -12.044   2.488
    4   2HB   TRP   1           HB2      TRP   1  10.282 -11.192   3.887
    5    HD1  TRP   1           HD1      TRP   1   8.606 -10.322   0.553
    6    HE1  TRP   1           HE1      TRP   1   8.463  -7.880   0.384
    7    HE3  TRP   1           HE3      TRP   1  11.733  -9.110   4.455
    8    HZ2  TRP   1           HZ2      TRP   1   9.770  -5.590   1.525
    9    HZ3  TRP   1           HZ3      TRP   1  12.174  -6.724   4.890
   10    HH2  TRP   1           HH2      TRP   1  11.202  -4.979   3.434
   11    H    GLN   2           H        GLN   2  12.393 -10.495   0.314
   12    HA   GLN   2           HA       GLN   2  14.257  -8.677   1.590
   13   1HB   GLN   2           HB1      GLN   2  14.895 -10.542  -0.773
   14   2HB   GLN   2           HB2      GLN   2  15.413  -8.846  -0.918
   15   1HG   GLN   2           HG1      GLN   2  17.325  -9.709  -0.143
   16   2HG   GLN   2           HG2      GLN   2  16.636  -9.066   1.380
   17   1HE2  GLN   2           HE21     GLN   2  16.312 -12.491   2.653
   18   2HE2  GLN   2           HE22     GLN   2  15.319 -11.054   2.648
   19    HA   PRO   3           HA       PRO   3  11.064  -6.529  -0.277
   20   1HB   PRO   3           HB1      PRO   3  12.208  -3.866  -0.796
   21   2HB   PRO   3           HB2      PRO   3  11.307  -4.529   0.609
   22   1HG   PRO   3           HG1      PRO   3  14.199  -4.008   0.464
   23   2HG   PRO   3           HG2      PRO   3  13.228  -4.652   1.834
   24   1HD   PRO   3           HD1      PRO   3  14.952  -6.092  -0.119
   25   2HD   PRO   3           HD2      PRO   3  14.321  -6.577   1.533
   26    HA   PRO   4           HA       PRO   4  11.462  -6.674  -4.848
   27   1HB   PRO   4           HB1      PRO   4   8.976  -7.771  -5.337
   28   2HB   PRO   4           HB2      PRO   4  10.059  -8.626  -4.215
   29   1HG   PRO   4           HG1      PRO   4   7.996  -6.628  -3.378
   30   2HG   PRO   4           HG2      PRO   4   8.215  -8.395  -2.832
   31   1HD   PRO   4           HD1      PRO   4   9.143  -6.170  -1.489
   32   2HD   PRO   4           HD2      PRO   4   9.968  -7.811  -1.527
   33    H    TRP   5           H        TRP   5   8.208  -6.032  -5.457
   34    HA   TRP   5           HA       TRP   5   8.701  -3.276  -6.282
   35   1HB   TRP   5           HB1      TRP   5   6.440  -3.293  -7.471
   36   2HB   TRP   5           HB2      TRP   5   7.707  -4.356  -8.049
   37    HD1  TRP   5           HD1      TRP   5   7.372  -6.826  -8.180
   38    HE1  TRP   5           HE1      TRP   5   5.197  -8.335  -7.945
   39    HE3  TRP   5           HE3      TRP   5   3.790  -3.781  -6.060
   40    HZ2  TRP   5           HZ2      TRP   5   2.448  -7.934  -8.273
   41    HZ3  TRP   5           HZ3      TRP   5   1.512  -4.162  -6.512
   42    HH2  TRP   5           HH2      TRP   5   0.777  -6.251  -7.590
   43    H    TYR   6           H        TYR   6   5.895  -4.728  -4.605
   44    HA   TYR   6           HA       TYR   6   4.306  -2.760  -4.044
   45   1HB   TYR   6           HB1      TYR   6   4.728  -4.613  -1.639
   46   2HB   TYR   6           HB2      TYR   6   3.255  -4.267  -2.625
   47    HD1  TYR   6           HD1      TYR   6   2.868  -5.643  -4.681
   48    HD2  TYR   6           HD2      TYR   6   6.192  -6.238  -2.100
   49    HE1  TYR   6           HE1      TYR   6   3.073  -7.926  -5.561
   50    HE2  TYR   6           HE2      TYR   6   6.299  -8.727  -2.973
   51    HH   TYR   6           HH       TYR   6   4.080  -9.927  -5.317
   52    H    CYS   7           H        CYS   7   6.882  -3.345  -1.712
   53    HA   CYS   7           HA       CYS   7   6.255  -1.482   0.076
   54   1HB   CYS   7           HB1      CYS   7   9.201  -2.284  -0.385
   55   2HB   CYS   7           HB2      CYS   7   8.298  -2.050   1.148
   56    H    LYS   8           H        LYS   8   8.139  -1.268  -2.823
   57    HA   LYS   8           HA       LYS   8   9.058   1.505  -2.504
   58   1HB   LYS   8           HB1      LYS   8   9.896  -0.644  -4.653
   59   2HB   LYS   8           HB2      LYS   8  10.655   0.895  -4.287
   60   1HG   LYS   8           HG1      LYS   8  11.159  -0.062  -1.934
   61   2HG   LYS   8           HG2      LYS   8  10.397  -1.585  -2.468
   62   1HD   LYS   8           HD1      LYS   8  12.807  -1.868  -2.609
   63   2HD   LYS   8           HD2      LYS   8  12.235  -1.765  -4.306
   64   1HE   LYS   8           HE1      LYS   8  13.159   0.554  -4.482
   65   2HE   LYS   8           HE2      LYS   8  13.482   0.577  -2.702
   66   1HZ   LYS   8           HZ1      LYS   8  15.007  -1.246  -3.019
   67   2HZ   LYS   8           HZ2      LYS   8  14.691  -1.275  -4.687
   68   3HZ   LYS   8           HZ3      LYS   8  15.427   0.086  -3.986
   69    H    GLU   9           H        GLU   9   6.159   0.259  -3.494
   70    HA   GLU   9           HA       GLU   9   6.237   1.024  -6.300
   71   1HB   GLU   9           HB1      GLU   9   5.365  -1.098  -5.599
   72   2HB   GLU   9           HB2      GLU   9   4.001  -0.267  -4.859
   73   1HG   GLU   9           HG1      GLU   9   3.275  -0.855  -7.016
   74   2HG   GLU   9           HG2      GLU   9   3.672   0.830  -7.365
   75    HA   PRO  10           HA       PRO  10   4.862   5.022  -5.051
   76   1HB   PRO  10           HB1      PRO  10   3.979   5.442  -7.959
   77   2HB   PRO  10           HB2      PRO  10   4.991   6.512  -6.906
   78   1HG   PRO  10           HG1      PRO  10   6.162   4.904  -8.725
   79   2HG   PRO  10           HG2      PRO  10   6.855   4.897  -7.048
   80   1HD   PRO  10           HD1      PRO  10   4.768   2.944  -8.201
   81   2HD   PRO  10           HD2      PRO  10   6.356   2.530  -7.448
   82    H    VAL  11           H        VAL  11   3.099   5.527  -3.773
   83    HA   VAL  11           HA       VAL  11   0.531   4.494  -4.145
   84    HB   VAL  11           HB       VAL  11   1.703   4.937  -2.042
   85   1HG1  VAL  11           HG11     VAL  11   2.553   7.291  -2.651
   86   2HG1  VAL  11           HG12     VAL  11   0.890   7.913  -2.371
   87   3HG1  VAL  11           HG13     VAL  11   1.791   7.136  -1.031
   88   1HG2  VAL  11           HG21     VAL  11  -1.156   6.093  -2.303
   89   2HG2  VAL  11           HG22     VAL  11  -0.659   4.380  -1.989
   90   3HG2  VAL  11           HG23     VAL  11  -0.321   5.662  -0.785
   91    H    ARG  12           H        ARG  12  -1.387   5.245  -4.875
   92    HA   ARG  12           HA       ARG  12  -1.548   7.836  -6.294
   93   1HB   ARG  12           HB1      ARG  12  -2.386   4.964  -7.122
   94   2HB   ARG  12           HB2      ARG  12  -2.956   6.388  -8.043
   95   1HG   ARG  12           HG1      ARG  12  -0.077   5.564  -7.766
   96   2HG   ARG  12           HG2      ARG  12  -1.267   4.999  -8.973
   97   1HD   ARG  12           HD1      ARG  12  -1.725   7.581  -9.448
   98   2HD   ARG  12           HD2      ARG  12  -0.031   7.781  -8.874
   99    HE   ARG  12           HE       ARG  12  -0.891   6.185 -11.345
  100   1HH1  ARG  12           HH11     ARG  12   1.650   6.534  -9.006
  101   2HH1  ARG  12           HH12     ARG  12   2.909   6.106 -10.143
  102   1HH2  ARG  12           HH21     ARG  12   0.727   5.998 -12.815
  103   2HH2  ARG  12           HH22     ARG  12   2.331   5.696 -12.300
  104    H    ILE  13           H        ILE  13  -3.347   8.875  -5.230
  105    HA   ILE  13           HA       ILE  13  -5.600   7.259  -4.283
  106    HB   ILE  13           HB       ILE  13  -4.764   8.836  -2.712
  107   1HG1  ILE  13           HG11     ILE  13  -7.625   9.393  -3.733
  108   2HG1  ILE  13           HG12     ILE  13  -7.012   7.936  -2.872
  109   1HG2  ILE  13           HG21     ILE  13  -4.189  10.891  -4.112
  110   2HG2  ILE  13           HG22     ILE  13  -5.998  11.030  -4.447
  111   3HG2  ILE  13           HG23     ILE  13  -5.321  11.151  -2.789
  112   1HD1  ILE  13           HD11     ILE  13  -6.539   9.310  -0.859
  113   2HD1  ILE  13           HD12     ILE  13  -7.176  10.783  -1.682
  114   3HD1  ILE  13           HD13     ILE  13  -8.296   9.427  -1.291
  115    H    GLY  14           H        GLY  14  -4.745   9.740  -6.624
  116   1HA   GLY  14           HA1      GLY  14  -5.567   9.800  -8.815
  117   2HA   GLY  14           HA2      GLY  14  -7.025   8.924  -8.316
  118    H    SER  15           H        SER  15  -8.398  10.270  -6.673
  119    HA   SER  15           HA       SER  15  -9.635  11.997  -6.153
  120   1HB   SER  15           HB1      SER  15  -9.493  14.355  -6.883
  121   2HB   SER  15           HB2      SER  15  -7.961  13.750  -6.186
  122    HG   SER  15           HG       SER  15  -7.399  13.312  -8.502
  123    H    CYS  16           H        CYS  16 -10.070   9.919  -8.115
  124    HA   CYS  16           HA       CYS  16 -11.438  10.962 -10.382
  125   1HB   CYS  16           HB1      CYS  16 -10.189   8.813 -10.209
  126   2HB   CYS  16           HB2      CYS  16 -11.534   8.107  -9.298
  127    H    LYS  17           H        LYS  17 -13.240   8.665  -8.386
  128    HA   LYS  17           HA       LYS  17 -15.681  10.218  -8.822
  129   1HB   LYS  17           HB1      LYS  17 -15.194   7.385  -7.720
  130   2HB   LYS  17           HB2      LYS  17 -16.833   8.114  -7.884
  131   1HG   LYS  17           HG1      LYS  17 -14.963   7.712 -10.243
  132   2HG   LYS  17           HG2      LYS  17 -16.223   6.569  -9.657
  133   1HD   LYS  17           HD1      LYS  17 -17.905   8.530  -9.811
  134   2HD   LYS  17           HD2      LYS  17 -16.664   9.408 -10.774
  135   1HE   LYS  17           HE1      LYS  17 -16.679   7.476 -12.432
  136   2HE   LYS  17           HE2      LYS  17 -17.907   6.652 -11.375
  137   1HZ   LYS  17           HZ1      LYS  17 -19.376   8.514 -11.722
  138   2HZ   LYS  17           HZ2      LYS  17 -18.228   9.299 -12.697
  139   3HZ   LYS  17           HZ3      LYS  17 -18.914   7.831 -13.207
  140    H    LYS  18           H        LYS  18 -14.283   8.619  -5.917
  141    HA   LYS  18           HA       LYS  18 -14.743  10.950  -4.329
  142   1HB   LYS  18           HB1      LYS  18 -16.161   9.948  -2.539
  143   2HB   LYS  18           HB2      LYS  18 -16.982  10.207  -4.059
  144   1HG   LYS  18           HG1      LYS  18 -15.905   7.423  -3.361
  145   2HG   LYS  18           HG2      LYS  18 -17.411   8.079  -2.683
  146   1HD   LYS  18           HD1      LYS  18 -16.825   7.495  -5.641
  147   2HD   LYS  18           HD2      LYS  18 -17.994   6.685  -4.550
  148   1HE   LYS  18           HE1      LYS  18 -19.394   8.767  -4.460
  149   2HE   LYS  18           HE2      LYS  18 -18.286   9.549  -5.662
  150   1HZ   LYS  18           HZ1      LYS  18 -19.816   7.037  -6.076
  151   2HZ   LYS  18           HZ2      LYS  18 -20.184   8.571  -6.705
  152   3HZ   LYS  18           HZ3      LYS  18 -18.766   7.772  -7.192
  153    H    GLN  19           H        GLN  19 -14.342   8.620  -1.973
  154    HA   GLN  19           HA       GLN  19 -11.769   7.685  -2.767
  155   1HB   GLN  19           HB1      GLN  19 -11.112   8.988  -0.211
  156   2HB   GLN  19           HB2      GLN  19 -10.365   9.047  -1.783
  157   1HG   GLN  19           HG1      GLN  19 -11.622  11.004  -2.506
  158   2HG   GLN  19           HG2      GLN  19 -12.607  11.017  -1.004
  159   1HE2  GLN  19           HE21     GLN  19 -10.075  12.778   0.767
  160   2HE2  GLN  19           HE22     GLN  19 -11.655  12.036   0.851
  161    H    PHE  20           H        PHE  20 -11.778   5.577  -2.026
  162    HA   PHE  20           HA       PHE  20 -13.600   4.843   0.204
  163   1HB   PHE  20           HB1      PHE  20 -12.270   3.011  -1.916
  164   2HB   PHE  20           HB2      PHE  20 -13.599   2.551  -0.783
  165    HD1  PHE  20           HD1      PHE  20 -15.576   4.680  -0.987
  166    HD2  PHE  20           HD2      PHE  20 -13.146   2.990  -4.144
  167    HE1  PHE  20           HE1      PHE  20 -17.241   5.352  -2.657
  168    HE2  PHE  20           HE2      PHE  20 -14.851   3.596  -5.776
  169    HZ   PHE  20           HZ       PHE  20 -16.934   4.732  -5.051
  170    H    SER  21           H        SER  21 -12.537   3.194   1.810
  171    HA   SER  21           HA       SER  21  -9.846   4.110   2.375
  172   1HB   SER  21           HB1      SER  21 -11.740   3.875   4.106
  173   2HB   SER  21           HB2      SER  21 -11.373   2.122   4.125
  174    HG   SER  21           HG       SER  21  -9.528   4.274   4.629
  175    H    SER  22           H        SER  22  -7.930   3.034   2.668
  176    HA   SER  22           HA       SER  22  -7.595   0.248   1.839
  177   1HB   SER  22           HB1      SER  22  -5.705   1.066   0.210
  178   2HB   SER  22           HB2      SER  22  -7.257   1.618  -0.303
  179    HG   SER  22           HG       SER  22  -5.486   3.084   1.427
  180    H    PHE  23           H        PHE  23  -5.082   0.056   1.692
  181    HA   PHE  23           HA       PHE  23  -3.462   1.313   3.766
  182   1HB   PHE  23           HB1      PHE  23  -4.042  -1.664   3.545
  183   2HB   PHE  23           HB2      PHE  23  -2.465  -1.240   4.193
  184    HD1  PHE  23           HD1      PHE  23  -2.366   0.161   6.324
  185    HD2  PHE  23           HD2      PHE  23  -6.079  -1.413   4.820
  186    HE1  PHE  23           HE1      PHE  23  -3.442   0.695   8.456
  187    HE2  PHE  23           HE2      PHE  23  -7.168  -0.888   7.001
  188    HZ   PHE  23           HZ       PHE  23  -5.857   0.197   8.801
  189    H    TYR  24           H        TYR  24  -1.241   1.215   3.349
  190    HA   TYR  24           HA       TYR  24  -0.191  -0.107   1.012
  191   1HB   TYR  24           HB1      TYR  24   0.629   1.480  -0.347
  192   2HB   TYR  24           HB2      TYR  24  -0.918   2.193   0.102
  193    HD1  TYR  24           HD1      TYR  24  -0.892   4.266   1.785
  194    HD2  TYR  24           HD2      TYR  24   2.693   2.507   0.136
  195    HE1  TYR  24           HE1      TYR  24   0.341   6.321   2.250
  196    HE2  TYR  24           HE2      TYR  24   3.943   4.549   0.676
  197    HH   TYR  24           HH       TYR  24   2.363   7.480   1.835
  198    H    PHE  25           H        PHE  25   2.313  -0.154   1.006
  199    HA   PHE  25           HA       PHE  25   3.316  -0.112   3.777
  200   1HB   PHE  25           HB1      PHE  25   3.227  -2.341   2.446
  201   2HB   PHE  25           HB2      PHE  25   4.560  -1.709   1.440
  202    HD1  PHE  25           HD1      PHE  25   6.740  -1.036   2.751
  203    HD2  PHE  25           HD2      PHE  25   3.644  -3.493   4.483
  204    HE1  PHE  25           HE1      PHE  25   8.287  -1.875   4.498
  205    HE2  PHE  25           HE2      PHE  25   5.041  -4.076   6.299
  206    HZ   PHE  25           HZ       PHE  25   7.453  -3.313   6.311
  207    H    LYS  26           H        LYS  26   4.881   1.281   4.289
  208    HA   LYS  26           HA       LYS  26   5.844   3.167   2.291
  209   1HB   LYS  26           HB1      LYS  26   5.143   3.425   5.060
  210   2HB   LYS  26           HB2      LYS  26   6.840   3.924   4.880
  211   1HG   LYS  26           HG1      LYS  26   4.395   5.055   3.677
  212   2HG   LYS  26           HG2      LYS  26   5.749   5.668   4.775
  213   1HD   LYS  26           HD1      LYS  26   5.804   5.554   1.721
  214   2HD   LYS  26           HD2      LYS  26   5.797   6.907   2.866
  215   1HE   LYS  26           HE1      LYS  26   7.966   7.076   2.464
  216   2HE   LYS  26           HE2      LYS  26   8.112   5.808   3.745
  217   1HZ   LYS  26           HZ1      LYS  26   7.978   5.403   0.790
  218   2HZ   LYS  26           HZ2      LYS  26   9.364   5.301   1.767
  219   3HZ   LYS  26           HZ3      LYS  26   8.112   4.169   1.950
  220    H    TRP  27           H        TRP  27   7.797   2.465   1.325
  221    HA   TRP  27           HA       TRP  27   9.671   0.683   2.115
  222   1HB   TRP  27           HB1      TRP  27   9.546   1.395  -0.151
  223   2HB   TRP  27           HB2      TRP  27   9.544   3.114   0.224
  224    HD1  TRP  27           HD1      TRP  27  11.716   4.146  -0.670
  225    HE1  TRP  27           HE1      TRP  27  14.181   3.358  -0.925
  226    HE3  TRP  27           HE3      TRP  27  11.118  -0.527   0.979
  227    HZ2  TRP  27           HZ2      TRP  27  15.706   1.008  -0.295
  228    HZ3  TRP  27           HZ3      TRP  27  13.064  -2.033   1.281
  229    HH2  TRP  27           HH2      TRP  27  15.355  -1.288   0.604
  230    H    THR  28           H        THR  28   9.839   4.227   2.710
  231    HA   THR  28           HA       THR  28  12.330   3.904   4.161
  232    HB   THR  28           HB       THR  28  12.373   6.350   4.562
  233    HG1  THR  28           HG1      THR  28  11.036   7.465   2.994
  234   1HG2  THR  28           HG21     THR  28  13.550   5.177   2.679
  235   2HG2  THR  28           HG22     THR  28  12.084   5.372   1.654
  236   3HG2  THR  28           HG23     THR  28  13.004   6.823   2.205
  237    H    ALA  29           H        ALA  29   8.844   4.088   5.135
  238    HA   ALA  29           HA       ALA  29   9.597   4.530   7.912
  239   1HB   ALA  29           HB1      ALA  29   7.327   5.164   6.981
  240   2HB   ALA  29           HB2      ALA  29   6.906   3.414   6.896
  241   3HB   ALA  29           HB3      ALA  29   7.268   4.183   8.475
  242    H    LYS  30           H        LYS  30   8.892   1.659   5.900
  243    HA   LYS  30           HA       LYS  30   9.344  -0.447   6.058
  244   1HB   LYS  30           HB1      LYS  30  11.046   0.218   8.448
  245   2HB   LYS  30           HB2      LYS  30  10.776  -1.481   7.975
  246   1HG   LYS  30           HG1      LYS  30  11.666   0.528   5.851
  247   2HG   LYS  30           HG2      LYS  30  12.810  -0.254   6.995
  248   1HD   LYS  30           HD1      LYS  30  12.088  -2.495   6.357
  249   2HD   LYS  30           HD2      LYS  30  10.898  -1.852   5.175
  250   1HE   LYS  30           HE1      LYS  30  12.719  -0.949   3.767
  251   2HE   LYS  30           HE2      LYS  30  13.955  -1.405   5.009
  252   1HZ   LYS  30           HZ1      LYS  30  12.183  -3.301   3.541
  253   2HZ   LYS  30           HZ2      LYS  30  13.829  -3.015   3.232
  254   3HZ   LYS  30           HZ3      LYS  30  13.349  -3.715   4.703
  255    H    LYS  31           H        LYS  31   6.953   0.832   7.202
  256    HA   LYS  31           HA       LYS  31   5.698  -1.507   8.326
  257   1HB   LYS  31           HB1      LYS  31   6.666  -0.038  10.218
  258   2HB   LYS  31           HB2      LYS  31   5.508   1.241   9.786
  259   1HG   LYS  31           HG1      LYS  31   3.641  -0.242  10.552
  260   2HG   LYS  31           HG2      LYS  31   4.765  -1.665  10.591
  261   1HD   LYS  31           HD1      LYS  31   6.074  -0.533  12.414
  262   2HD   LYS  31           HD2      LYS  31   4.881   0.809  12.410
  263   1HE   LYS  31           HE1      LYS  31   3.061  -0.787  13.083
  264   2HE   LYS  31           HE2      LYS  31   4.235  -2.165  13.029
  265   1HZ   LYS  31           HZ1      LYS  31   5.512  -1.078  14.749
  266   2HZ   LYS  31           HZ2      LYS  31   4.409   0.214  14.807
  267   3HZ   LYS  31           HZ3      LYS  31   3.910  -1.349  15.246
  268    H    CYS  32           H        CYS  32   3.236  -1.041   8.337
  269    HA   CYS  32           HA       CYS  32   2.445   0.047   5.813
  270   1HB   CYS  32           HB1      CYS  32   0.897  -1.300   8.133
  271   2HB   CYS  32           HB2      CYS  32   0.186  -1.025   6.488
  272    H    LEU  33           H        LEU  33   0.961   1.622   5.308
  273    HA   LEU  33           HA       LEU  33   0.163   3.496   7.456
  274   1HB   LEU  33           HB1      LEU  33   0.704   4.330   4.539
  275   2HB   LEU  33           HB2      LEU  33   0.292   5.367   5.936
  276    HG   LEU  33           HG       LEU  33   2.993   4.068   5.256
  277   1HD1  LEU  33           HD11     LEU  33   2.326   6.269   4.275
  278   2HD1  LEU  33           HD12     LEU  33   2.062   6.943   5.934
  279   3HD1  LEU  33           HD13     LEU  33   3.706   6.385   5.432
  280   1HD2  LEU  33           HD21     LEU  33   2.141   5.427   7.941
  281   2HD2  LEU  33           HD22     LEU  33   2.741   3.739   7.769
  282   3HD2  LEU  33           HD23     LEU  33   3.831   5.113   7.423
  283    HA   PRO  34           HA       PRO  34  -3.915   2.854   5.238
  284   1HB   PRO  34           HB1      PRO  34  -5.539   4.327   6.932
  285   2HB   PRO  34           HB2      PRO  34  -4.683   2.881   7.558
  286   1HG   PRO  34           HG1      PRO  34  -3.843   5.818   7.876
  287   2HG   PRO  34           HG2      PRO  34  -3.930   4.542   9.152
  288   1HD   PRO  34           HD1      PRO  34  -1.608   5.282   7.601
  289   2HD   PRO  34           HD2      PRO  34  -1.812   3.710   8.518
  290    H    PHE  35           H        PHE  35  -5.057   3.845   3.765
  291    HA   PHE  35           HA       PHE  35  -4.997   6.728   3.528
  292   1HB   PHE  35           HB1      PHE  35  -3.911   7.222   1.535
  293   2HB   PHE  35           HB2      PHE  35  -2.821   6.128   2.381
  294    HD1  PHE  35           HD1      PHE  35  -3.056   3.564   1.679
  295    HD2  PHE  35           HD2      PHE  35  -4.229   6.909  -0.866
  296    HE1  PHE  35           HE1      PHE  35  -3.073   2.095  -0.345
  297    HE2  PHE  35           HE2      PHE  35  -4.055   5.454  -2.789
  298    HZ   PHE  35           HZ       PHE  35  -3.517   3.045  -2.562
  299    H    LEU  36           H        LEU  36  -6.027   6.712   0.738
  300    HA   LEU  36           HA       LEU  36  -8.566   5.419   0.953
  301   1HB   LEU  36           HB1      LEU  36  -7.949   8.433   0.676
  302   2HB   LEU  36           HB2      LEU  36  -9.529   7.733   0.164
  303    HG   LEU  36           HG       LEU  36  -8.532   7.579   3.036
  304   1HD1  LEU  36           HD11     LEU  36  -8.573   9.974   2.278
  305   2HD1  LEU  36           HD12     LEU  36 -10.292   9.768   1.768
  306   3HD1  LEU  36           HD13     LEU  36  -9.841   9.605   3.502
  307   1HD2  LEU  36           HD21     LEU  36 -11.343   7.430   1.742
  308   2HD2  LEU  36           HD22     LEU  36 -10.407   6.056   2.414
  309   3HD2  LEU  36           HD23     LEU  36 -10.979   7.358   3.506
  310    H    PHE  37           H        PHE  37  -9.369   5.284  -1.203
  311    HA   PHE  37           HA       PHE  37  -7.591   5.893  -3.529
  312   1HB   PHE  37           HB1      PHE  37  -6.916   3.652  -2.950
  313   2HB   PHE  37           HB2      PHE  37  -8.658   3.217  -2.581
  314    HD1  PHE  37           HD1      PHE  37  -7.774   4.764  -6.101
  315    HD2  PHE  37           HD2      PHE  37  -8.368   1.194  -3.675
  316    HE1  PHE  37           HE1      PHE  37  -8.483   3.528  -8.025
  317    HE2  PHE  37           HE2      PHE  37  -8.872  -0.071  -5.741
  318    HZ   PHE  37           HZ       PHE  37  -8.925   1.113  -7.928
  319    H    SER  38           H        SER  38  -8.696   6.889  -5.166
  320    HA   SER  38           HA       SER  38 -11.560   7.248  -4.916
  321   1HB   SER  38           HB1      SER  38 -11.370   8.972  -6.557
  322   2HB   SER  38           HB2      SER  38 -10.094   9.121  -5.319
  323    HG   SER  38           HG       SER  38  -8.592   8.151  -6.769
  324    H    GLY  39           H        GLY  39 -10.195   4.714  -6.334
  325   1HA   GLY  39           HA1      GLY  39 -11.180   3.007  -7.324
  326   2HA   GLY  39           HA2      GLY  39 -12.503   4.016  -7.847
  327    H    CYS  40           H        CYS  40 -10.763   5.853  -9.384
  328    HA   CYS  40           HA       CYS  40  -9.947   4.093 -11.623
  329   1HB   CYS  40           HB1      CYS  40 -11.203   5.815 -13.185
  330   2HB   CYS  40           HB2      CYS  40 -12.049   4.487 -12.368
  331    H    GLY  41           H        GLY  41  -8.413   5.458  -9.599
  332   1HA   GLY  41           HA1      GLY  41  -6.597   6.790 -11.451
  333   2HA   GLY  41           HA2      GLY  41  -7.196   7.752 -10.049
  334    H    GLY  42           H        GLY  42  -6.615   4.246 -10.096
  335   1HA   GLY  42           HA1      GLY  42  -4.436   4.501  -8.140
  336   2HA   GLY  42           HA2      GLY  42  -5.462   3.084  -8.507
  337    H    ASN  43           H        ASN  43  -3.016   2.380  -8.283
  338    HA   ASN  43           HA       ASN  43  -2.226   1.850 -11.079
  339   1HB   ASN  43           HB1      ASN  43   0.084   2.044 -10.873
  340   2HB   ASN  43           HB2      ASN  43  -0.672   3.564 -10.397
  341   1HD2  ASN  43           HD21     ASN  43   1.846   3.605  -8.012
  342   2HD2  ASN  43           HD22     ASN  43   1.454   4.071  -9.643
  343    H    ALA  44           H        ALA  44  -0.536   0.481  -8.364
  344    HA   ALA  44           HA       ALA  44  -1.934  -2.109  -8.724
  345   1HB   ALA  44           HB1      ALA  44  -0.094  -1.944 -10.450
  346   2HB   ALA  44           HB2      ALA  44   1.122  -1.743  -9.141
  347   3HB   ALA  44           HB3      ALA  44   0.178  -3.282  -9.298
  348    H    ASN  45           H        ASN  45  -0.179   0.136  -6.651
  349    HA   ASN  45           HA       ASN  45   0.351  -1.919  -4.635
  350   1HB   ASN  45           HB1      ASN  45   1.951   0.041  -5.284
  351   2HB   ASN  45           HB2      ASN  45   0.904   1.132  -4.374
  352   1HD2  ASN  45           HD21     ASN  45   3.348   0.165  -1.971
  353   2HD2  ASN  45           HD22     ASN  45   2.598   1.456  -2.846
  354    H    ARG  46           H        ARG  46  -2.116  -2.315  -4.378
  355    HA   ARG  46           HA       ARG  46  -2.936  -0.671  -2.091
  356   1HB   ARG  46           HB1      ARG  46  -5.342  -0.600  -2.667
  357   2HB   ARG  46           HB2      ARG  46  -4.265   0.533  -3.508
  358   1HG   ARG  46           HG1      ARG  46  -5.030  -2.088  -4.859
  359   2HG   ARG  46           HG2      ARG  46  -6.187  -0.718  -4.742
  360   1HD   ARG  46           HD1      ARG  46  -3.344  -0.405  -6.004
  361   2HD   ARG  46           HD2      ARG  46  -4.817  -0.818  -6.964
  362    HE   ARG  46           HE       ARG  46  -5.872   1.255  -5.827
  363   1HH1  ARG  46           HH11     ARG  46  -2.266   1.669  -6.318
  364   2HH1  ARG  46           HH12     ARG  46  -2.496   3.321  -5.978
  365   1HH2  ARG  46           HH21     ARG  46  -5.902   3.182  -5.647
  366   2HH2  ARG  46           HH22     ARG  46  -4.486   4.183  -5.614
  367    H    PHE  47           H        PHE  47  -3.539  -1.643  -0.494
  368    HA   PHE  47           HA       PHE  47  -3.776  -4.589  -0.476
  369   1HB   PHE  47           HB1      PHE  47  -2.807  -2.494   1.561
  370   2HB   PHE  47           HB2      PHE  47  -2.769  -4.208   1.983
  371    HD1  PHE  47           HD1      PHE  47  -1.639  -5.078  -1.055
  372    HD2  PHE  47           HD2      PHE  47  -0.502  -2.137   1.916
  373    HE1  PHE  47           HE1      PHE  47   0.559  -4.907  -2.032
  374    HE2  PHE  47           HE2      PHE  47   1.767  -2.139   0.936
  375    HZ   PHE  47           HZ       PHE  47   2.295  -3.428  -1.010
  376    H    GLN  48           H        GLN  48  -5.297  -5.551   0.607
  377    HA   GLN  48           HA       GLN  48  -7.839  -4.310   0.763
  378   1HB   GLN  48           HB1      GLN  48  -6.850  -7.126   1.542
  379   2HB   GLN  48           HB2      GLN  48  -8.580  -6.647   1.580
  380   1HG   GLN  48           HG1      GLN  48  -8.647  -6.267  -0.802
  381   2HG   GLN  48           HG2      GLN  48  -6.900  -6.530  -1.049
  382   1HE2  GLN  48           HE21     GLN  48  -7.387 -10.187  -0.411
  383   2HE2  GLN  48           HE22     GLN  48  -6.309  -8.959   0.213
  384    H    THR  49           H        THR  49  -6.102  -5.922   3.514
  385    HA   THR  49           HA       THR  49  -7.310  -4.031   5.415
  386    HB   THR  49           HB       THR  49  -7.238  -5.892   7.118
  387    HG1  THR  49           HG1      THR  49  -7.222  -7.994   6.281
  388   1HG2  THR  49           HG21     THR  49  -9.342  -5.253   5.910
  389   2HG2  THR  49           HG22     THR  49  -8.987  -6.479   4.643
  390   3HG2  THR  49           HG23     THR  49  -9.301  -6.998   6.334
  391    H    ILE  50           H        ILE  50  -5.890  -4.050   7.497
  392    HA   ILE  50           HA       ILE  50  -3.331  -3.181   6.928
  393    HB   ILE  50           HB       ILE  50  -4.745  -2.357   8.675
  394   1HG1  ILE  50           HG11     ILE  50  -2.135  -3.372   9.935
  395   2HG1  ILE  50           HG12     ILE  50  -2.251  -2.051   8.729
  396   1HG2  ILE  50           HG21     ILE  50  -5.828  -4.500   9.425
  397   2HG2  ILE  50           HG22     ILE  50  -4.287  -4.973  10.229
  398   3HG2  ILE  50           HG23     ILE  50  -5.191  -3.523  10.778
  399   1HD1  ILE  50           HD11     ILE  50  -3.790  -0.767  10.248
  400   2HD1  ILE  50           HD12     ILE  50  -3.590  -2.039  11.516
  401   3HD1  ILE  50           HD13     ILE  50  -2.173  -1.066  10.978
  402    H    GLY  51           H        GLY  51  -4.230  -6.458   7.628
  403   1HA   GLY  51           HA1      GLY  51  -1.467  -7.274   8.126
  404   2HA   GLY  51           HA2      GLY  51  -2.908  -8.232   8.138
  405    H    GLU  52           H        GLU  52  -3.497  -6.995   5.219
  406    HA   GLU  52           HA       GLU  52  -2.141  -8.964   3.626
  407   1HB   GLU  52           HB1      GLU  52  -4.380  -8.191   2.924
  408   2HB   GLU  52           HB2      GLU  52  -3.833  -6.496   2.861
  409   1HG   GLU  52           HG1      GLU  52  -4.012  -7.473   0.490
  410   2HG   GLU  52           HG2      GLU  52  -2.389  -6.963   0.830
  411    H    CYS  53           H        CYS  53  -1.645  -5.577   4.355
  412    HA   CYS  53           HA       CYS  53   0.166  -4.654   2.558
  413   1HB   CYS  53           HB1      CYS  53  -0.986  -3.433   4.593
  414   2HB   CYS  53           HB2      CYS  53   0.037  -4.313   5.649
  415    H    ARG  54           H        ARG  54   0.786  -6.479   5.337
  416    HA   ARG  54           HA       ARG  54   3.635  -6.582   5.504
  417   1HB   ARG  54           HB1      ARG  54   1.233  -7.904   6.773
  418   2HB   ARG  54           HB2      ARG  54   2.855  -8.324   7.334
  419   1HG   ARG  54           HG1      ARG  54   3.260  -6.353   8.395
  420   2HG   ARG  54           HG2      ARG  54   2.318  -5.364   7.229
  421   1HD   ARG  54           HD1      ARG  54   1.007  -5.438   9.388
  422   2HD   ARG  54           HD2      ARG  54   0.217  -6.272   8.053
  423    HE   ARG  54           HE       ARG  54   0.878  -8.429   8.898
  424   1HH1  ARG  54           HH11     ARG  54   1.706  -5.890  11.249
  425   2HH1  ARG  54           HH12     ARG  54   1.698  -7.027  12.553
  426   1HH2  ARG  54           HH21     ARG  54   1.045  -9.762  10.550
  427   2HH2  ARG  54           HH22     ARG  54   1.160  -9.172  12.189
  428    H    LYS  55           H        LYS  55   1.308  -8.756   3.913
  429    HA   LYS  55           HA       LYS  55   3.146 -11.020   3.782
  430   1HB   LYS  55           HB1      LYS  55   0.387 -10.594   2.473
  431   2HB   LYS  55           HB2      LYS  55   1.355 -12.103   2.401
  432   1HG   LYS  55           HG1      LYS  55   1.262 -11.607   5.173
  433   2HG   LYS  55           HG2      LYS  55  -0.388 -11.183   4.596
  434   1HD   LYS  55           HD1      LYS  55  -0.428 -13.448   3.406
  435   2HD   LYS  55           HD2      LYS  55   1.214 -13.768   4.078
  436   1HE   LYS  55           HE1      LYS  55  -0.411 -14.911   5.490
  437   2HE   LYS  55           HE2      LYS  55   0.278 -13.523   6.427
  438   1HZ   LYS  55           HZ1      LYS  55  -2.311 -13.544   4.959
  439   2HZ   LYS  55           HZ2      LYS  55  -2.098 -13.672   6.640
  440   3HZ   LYS  55           HZ3      LYS  55  -1.668 -12.239   5.835
  441    H    LYS  56           H        LYS  56   2.828  -8.226   1.881
  442    HA   LYS  56           HA       LYS  56   4.238  -9.388  -0.445
  443   1HB   LYS  56           HB1      LYS  56   2.266  -7.152   0.002
  444   2HB   LYS  56           HB2      LYS  56   3.574  -6.758  -1.139
  445   1HG   LYS  56           HG1      LYS  56   3.147  -8.753  -2.453
  446   2HG   LYS  56           HG2      LYS  56   1.812  -9.263  -1.462
  447   1HD   LYS  56           HD1      LYS  56   1.710  -6.501  -2.989
  448   2HD   LYS  56           HD2      LYS  56   1.409  -8.064  -3.743
  449   1HE   LYS  56           HE1      LYS  56  -0.352  -7.417  -1.276
  450   2HE   LYS  56           HE2      LYS  56  -0.764  -6.991  -2.973
  451   1HZ   LYS  56           HZ1      LYS  56  -0.518  -9.273  -3.594
  452   2HZ   LYS  56           HZ2      LYS  56  -0.104  -9.706  -2.004
  453   3HZ   LYS  56           HZ3      LYS  56  -1.648  -9.083  -2.340
  454    H    CYS  57           H        CYS  57   4.614  -7.259   2.395
  455    HA   CYS  57           HA       CYS  57   7.318  -6.418   1.407
  456   1HB   CYS  57           HB1      CYS  57   5.096  -4.932   2.833
  457   2HB   CYS  57           HB2      CYS  57   6.778  -4.286   2.827
  458    H    LEU  58           H        LEU  58   6.233  -8.429   4.051
  459    HA   LEU  58           HA       LEU  58   8.772  -7.573   5.380
  460   1HB   LEU  58           HB1      LEU  58   6.083  -7.744   6.726
  461   2HB   LEU  58           HB2      LEU  58   7.555  -8.152   7.670
  462    HG   LEU  58           HG       LEU  58   7.117  -5.539   6.236
  463   1HD1  LEU  58           HD11     LEU  58   5.630  -5.883   8.326
  464   2HD1  LEU  58           HD12     LEU  58   7.105  -6.278   9.267
  465   3HD1  LEU  58           HD13     LEU  58   6.898  -4.617   8.617
  466   1HD2  LEU  58           HD21     LEU  58   9.423  -6.372   8.062
  467   2HD2  LEU  58           HD22     LEU  58   9.515  -5.865   6.329
  468   3HD2  LEU  58           HD23     LEU  58   9.031  -4.677   7.575
  469    H    GLY  59           H        GLY  59   6.947 -10.154   4.144
  470   1HA   GLY  59           HA1      GLY  59   7.266 -12.319   3.974
  471   2HA   GLY  59           HA2      GLY  59   8.744 -12.208   5.011
  472    H    LYS  60           H        LYS  60   5.142 -11.733   5.410
  473    HA   LYS  60           HA       LYS  60   5.113 -13.666   7.566
  474   1HB   LYS  60           HB1      LYS  60   3.996 -11.899   9.058
  475   2HB   LYS  60           HB2      LYS  60   5.779 -11.800   8.889
  476   1HG   LYS  60           HG1      LYS  60   5.604  -9.891   7.290
  477   2HG   LYS  60           HG2      LYS  60   3.838 -10.074   7.257
  478   1HD   LYS  60           HD1      LYS  60   4.475  -8.191   8.662
  479   2HD   LYS  60           HD2      LYS  60   3.663  -9.451   9.660
  480   1HE   LYS  60           HE1      LYS  60   5.909 -10.134  10.583
  481   2HE   LYS  60           HE2      LYS  60   6.684  -8.898   9.500
  482   1HZ   LYS  60           HZ1      LYS  60   5.430  -7.196  10.604
  483   2HZ   LYS  60           HZ2      LYS  60   4.676  -8.334  11.613
  484   3HZ   LYS  60           HZ3      LYS  60   6.353  -8.082  11.722
   
  No H/Q in entry =         484
  Start of MODEL   15
    1    H    TRP   1           H        TRP   1  13.239 -12.805   3.666
    2    HA   TRP   1           HA       TRP   1  11.624 -12.273   1.486
    3   1HB   TRP   1           HB1      TRP   1   9.703 -11.826   3.126
    4   2HB   TRP   1           HB2      TRP   1  10.830 -10.918   4.133
    5    HD1  TRP   1           HD1      TRP   1   8.779 -10.520   0.725
    6    HE1  TRP   1           HE1      TRP   1   8.597  -8.095   0.236
    7    HE3  TRP   1           HE3      TRP   1  11.696  -8.786   4.582
    8    HZ2  TRP   1           HZ2      TRP   1   9.617  -5.668   1.291
    9    HZ3  TRP   1           HZ3      TRP   1  11.910  -6.353   4.862
   10    HH2  TRP   1           HH2      TRP   1  10.904  -4.799   3.221
   11    H    GLN   2           H        GLN   2  12.306 -10.342   0.451
   12    HA   GLN   2           HA       GLN   2  14.232  -8.464   1.431
   13   1HB   GLN   2           HB1      GLN   2  14.851 -10.430  -0.897
   14   2HB   GLN   2           HB2      GLN   2  15.607  -8.804  -0.772
   15   1HG   GLN   2           HG1      GLN   2  16.624  -9.408   1.440
   16   2HG   GLN   2           HG2      GLN   2  15.931 -11.065   1.305
   17   1HE2  GLN   2           HE21     GLN   2  19.465 -11.232   0.108
   18   2HE2  GLN   2           HE22     GLN   2  18.638 -10.891   1.616
   19    HA   PRO   3           HA       PRO   3  10.834  -6.760  -0.470
   20   1HB   PRO   3           HB1      PRO   3  11.129  -4.245  -0.716
   21   2HB   PRO   3           HB2      PRO   3  11.624  -5.012   0.737
   22   1HG   PRO   3           HG1      PRO   3  13.773  -4.575  -1.358
   23   2HG   PRO   3           HG2      PRO   3  13.797  -3.961   0.341
   24   1HD   PRO   3           HD1      PRO   3  14.867  -6.308  -0.464
   25   2HD   PRO   3           HD2      PRO   3  14.014  -6.226   1.162
   26    HA   PRO   4           HA       PRO   4  11.024  -7.148  -5.029
   27   1HB   PRO   4           HB1      PRO   4   8.054  -7.832  -4.584
   28   2HB   PRO   4           HB2      PRO   4   9.317  -8.707  -5.534
   29   1HG   PRO   4           HG1      PRO   4   8.621  -9.676  -3.059
   30   2HG   PRO   4           HG2      PRO   4  10.338  -9.451  -3.451
   31   1HD   PRO   4           HD1      PRO   4   8.775  -7.196  -1.838
   32   2HD   PRO   4           HD2      PRO   4  10.104  -8.303  -1.478
   33    H    TRP   5           H        TRP   5   7.706  -6.279  -5.312
   34    HA   TRP   5           HA       TRP   5   8.392  -3.722  -6.527
   35   1HB   TRP   5           HB1      TRP   5   6.085  -3.580  -7.527
   36   2HB   TRP   5           HB2      TRP   5   7.226  -4.798  -8.076
   37    HD1  TRP   5           HD1      TRP   5   6.634  -7.310  -7.887
   38    HE1  TRP   5           HE1      TRP   5   4.275  -8.464  -7.741
   39    HE3  TRP   5           HE3      TRP   5   3.559  -3.720  -5.874
   40    HZ2  TRP   5           HZ2      TRP   5   1.580  -7.751  -7.750
   41    HZ3  TRP   5           HZ3      TRP   5   1.331  -3.913  -5.892
   42    HH2  TRP   5           HH2      TRP   5   0.231  -5.902  -6.725
   43    H    TYR   6           H        TYR   6   5.647  -4.662  -4.625
   44    HA   TYR   6           HA       TYR   6   4.183  -2.595  -4.058
   45   1HB   TYR   6           HB1      TYR   6   4.542  -4.445  -1.690
   46   2HB   TYR   6           HB2      TYR   6   3.082  -4.074  -2.514
   47    HD1  TYR   6           HD1      TYR   6   6.183  -5.998  -2.385
   48    HD2  TYR   6           HD2      TYR   6   2.411  -5.599  -4.306
   49    HE1  TYR   6           HE1      TYR   6   6.275  -8.441  -3.366
   50    HE2  TYR   6           HE2      TYR   6   2.543  -7.906  -5.192
   51    HH   TYR   6           HH       TYR   6   3.737  -9.840  -5.229
   52    H    CYS   7           H        CYS   7   6.752  -3.299  -1.727
   53    HA   CYS   7           HA       CYS   7   6.322  -1.395   0.000
   54   1HB   CYS   7           HB1      CYS   7   9.217  -2.221  -0.526
   55   2HB   CYS   7           HB2      CYS   7   8.300  -2.105   1.006
   56    H    LYS   8           H        LYS   8   8.165  -1.161  -2.982
   57    HA   LYS   8           HA       LYS   8   9.082   1.589  -2.536
   58   1HB   LYS   8           HB1      LYS   8   9.719  -0.671  -4.554
   59   2HB   LYS   8           HB2      LYS   8  10.607   0.890  -4.503
   60   1HG   LYS   8           HG1      LYS   8  11.853   0.252  -2.648
   61   2HG   LYS   8           HG2      LYS   8  10.556  -0.722  -1.923
   62   1HD   LYS   8           HD1      LYS   8  12.263  -2.258  -2.560
   63   2HD   LYS   8           HD2      LYS   8  10.830  -2.519  -3.610
   64   1HE   LYS   8           HE1      LYS   8  12.932  -2.722  -4.890
   65   2HE   LYS   8           HE2      LYS   8  12.001  -1.299  -5.496
   66   1HZ   LYS   8           HZ1      LYS   8  14.266  -1.227  -3.569
   67   2HZ   LYS   8           HZ2      LYS   8  14.313  -0.800  -5.212
   68   3HZ   LYS   8           HZ3      LYS   8  13.385   0.115  -4.123
   69    H    GLU   9           H        GLU   9   6.147   0.352  -3.591
   70    HA   GLU   9           HA       GLU   9   6.140   1.160  -6.359
   71   1HB   GLU   9           HB1      GLU   9   5.268  -0.946  -5.570
   72   2HB   GLU   9           HB2      GLU   9   3.967  -0.066  -4.771
   73   1HG   GLU   9           HG1      GLU   9   3.079  -0.724  -6.819
   74   2HG   GLU   9           HG2      GLU   9   3.449   0.943  -7.260
   75    HA   PRO  10           HA       PRO  10   4.846   5.177  -5.222
   76   1HB   PRO  10           HB1      PRO  10   3.568   5.443  -7.999
   77   2HB   PRO  10           HB2      PRO  10   4.694   6.582  -7.150
   78   1HG   PRO  10           HG1      PRO  10   5.656   4.882  -9.021
   79   2HG   PRO  10           HG2      PRO  10   6.543   5.005  -7.449
   80   1HD   PRO  10           HD1      PRO  10   4.418   2.912  -8.211
   81   2HD   PRO  10           HD2      PRO  10   6.100   2.633  -7.595
   82    H    VAL  11           H        VAL  11   3.280   5.859  -3.778
   83    HA   VAL  11           HA       VAL  11   0.578   5.008  -3.886
   84    HB   VAL  11           HB       VAL  11   1.629   5.152  -1.811
   85   1HG1  VAL  11           HG11     VAL  11   3.218   7.087  -2.148
   86   2HG1  VAL  11           HG12     VAL  11   1.822   8.226  -2.246
   87   3HG1  VAL  11           HG13     VAL  11   2.180   7.357  -0.712
   88   1HG2  VAL  11           HG21     VAL  11  -0.879   5.529  -2.254
   89   2HG2  VAL  11           HG22     VAL  11  -0.289   6.113  -0.646
   90   3HG2  VAL  11           HG23     VAL  11  -0.624   7.272  -1.999
   91    H    ARG  12           H        ARG  12  -1.229   5.974  -4.484
   92    HA   ARG  12           HA       ARG  12  -1.167   8.520  -6.036
   93   1HB   ARG  12           HB1      ARG  12  -1.603   5.718  -6.887
   94   2HB   ARG  12           HB2      ARG  12  -2.469   7.051  -7.676
   95   1HG   ARG  12           HG1      ARG  12   0.556   7.376  -7.297
   96   2HG   ARG  12           HG2      ARG  12  -0.125   6.120  -8.308
   97   1HD   ARG  12           HD1      ARG  12   0.291   8.019  -9.789
   98   2HD   ARG  12           HD2      ARG  12  -1.490   7.844  -9.548
   99    HE   ARG  12           HE       ARG  12   0.244   9.753  -7.851
  100   1HH1  ARG  12           HH11     ARG  12  -2.789   9.128  -9.507
  101   2HH1  ARG  12           HH12     ARG  12  -3.209  10.831  -9.487
  102   1HH2  ARG  12           HH21     ARG  12  -0.446  11.880  -7.812
  103   2HH2  ARG  12           HH22     ARG  12  -2.086  12.246  -8.246
  104    H    ILE  13           H        ILE  13  -3.376   9.703  -5.184
  105    HA   ILE  13           HA       ILE  13  -5.457   7.872  -4.294
  106    HB   ILE  13           HB       ILE  13  -4.768   9.926  -3.018
  107   1HG1  ILE  13           HG11     ILE  13  -7.714   9.188  -3.578
  108   2HG1  ILE  13           HG12     ILE  13  -6.511   8.260  -2.637
  109   1HG2  ILE  13           HG21     ILE  13  -5.166  11.656  -4.830
  110   2HG2  ILE  13           HG22     ILE  13  -6.940  11.205  -4.768
  111   3HG2  ILE  13           HG23     ILE  13  -6.110  11.903  -3.328
  112   1HD1  ILE  13           HD11     ILE  13  -7.540  11.074  -1.841
  113   2HD1  ILE  13           HD12     ILE  13  -8.158   9.517  -1.166
  114   3HD1  ILE  13           HD13     ILE  13  -6.440  10.007  -0.888
  115    H    GLY  14           H        GLY  14  -4.925  10.001  -7.007
  116   1HA   GLY  14           HA1      GLY  14  -5.883   9.582  -9.113
  117   2HA   GLY  14           HA2      GLY  14  -7.183   8.632  -8.368
  118    H    SER  15           H        SER  15  -8.768  10.157  -6.963
  119    HA   SER  15           HA       SER  15 -10.326  11.734  -7.003
  120   1HB   SER  15           HB1      SER  15  -8.861  13.404  -9.142
  121   2HB   SER  15           HB2      SER  15 -10.301  13.892  -8.184
  122    HG   SER  15           HG       SER  15  -7.643  13.528  -7.395
  123    H    CYS  16           H        CYS  16 -11.410   9.772  -7.891
  124    HA   CYS  16           HA       CYS  16 -12.409  10.290 -10.653
  125   1HB   CYS  16           HB1      CYS  16 -10.604   8.494 -10.302
  126   2HB   CYS  16           HB2      CYS  16 -11.778   7.415  -9.647
  127    H    LYS  17           H        LYS  17 -13.050   7.990  -8.100
  128    HA   LYS  17           HA       LYS  17 -15.950   8.296  -8.513
  129   1HB   LYS  17           HB1      LYS  17 -14.382   6.114  -6.991
  130   2HB   LYS  17           HB2      LYS  17 -16.140   6.092  -7.308
  131   1HG   LYS  17           HG1      LYS  17 -13.965   6.107  -9.499
  132   2HG   LYS  17           HG2      LYS  17 -14.563   4.630  -8.718
  133   1HD   LYS  17           HD1      LYS  17 -16.294   6.683 -10.282
  134   2HD   LYS  17           HD2      LYS  17 -15.621   5.160 -10.951
  135   1HE   LYS  17           HE1      LYS  17 -17.747   5.333  -8.697
  136   2HE   LYS  17           HE2      LYS  17 -18.022   4.872 -10.420
  137   1HZ   LYS  17           HZ1      LYS  17 -16.560   2.995 -10.107
  138   2HZ   LYS  17           HZ2      LYS  17 -16.284   3.429  -8.487
  139   3HZ   LYS  17           HZ3      LYS  17 -17.841   2.969  -8.990
  140    H    LYS  18           H        LYS  18 -14.134   7.453  -5.601
  141    HA   LYS  18           HA       LYS  18 -15.367   9.528  -3.951
  142   1HB   LYS  18           HB1      LYS  18 -17.083   7.719  -3.966
  143   2HB   LYS  18           HB2      LYS  18 -15.853   6.477  -3.639
  144   1HG   LYS  18           HG1      LYS  18 -17.392   6.969  -1.725
  145   2HG   LYS  18           HG2      LYS  18 -15.698   7.126  -1.307
  146   1HD   LYS  18           HD1      LYS  18 -16.061   9.750  -1.767
  147   2HD   LYS  18           HD2      LYS  18 -17.807   9.341  -1.847
  148   1HE   LYS  18           HE1      LYS  18 -17.231  10.200   0.394
  149   2HE   LYS  18           HE2      LYS  18 -17.600   8.431   0.558
  150   1HZ   LYS  18           HZ1      LYS  18 -14.901   9.672   0.320
  151   2HZ   LYS  18           HZ2      LYS  18 -15.616   9.067   1.738
  152   3HZ   LYS  18           HZ3      LYS  18 -15.223   8.011   0.466
  153    H    GLN  19           H        GLN  19 -14.361   7.979  -1.589
  154    HA   GLN  19           HA       GLN  19 -11.575   7.392  -2.239
  155   1HB   GLN  19           HB1      GLN  19 -12.286   9.302   0.149
  156   2HB   GLN  19           HB2      GLN  19 -10.758   8.464  -0.220
  157   1HG   GLN  19           HG1      GLN  19 -10.395  10.634  -0.730
  158   2HG   GLN  19           HG2      GLN  19 -10.300   9.623  -2.212
  159   1HE2  GLN  19           HE21     GLN  19 -12.491  11.978  -3.784
  160   2HE2  GLN  19           HE22     GLN  19 -11.203  10.810  -3.970
  161    H    PHE  20           H        PHE  20 -11.539   5.219  -1.790
  162    HA   PHE  20           HA       PHE  20 -13.291   4.149   0.366
  163   1HB   PHE  20           HB1      PHE  20 -11.802   2.666  -1.885
  164   2HB   PHE  20           HB2      PHE  20 -13.086   1.976  -0.824
  165    HD1  PHE  20           HD1      PHE  20 -15.369   3.632  -0.953
  166    HD2  PHE  20           HD2      PHE  20 -12.501   2.941  -4.123
  167    HE1  PHE  20           HE1      PHE  20 -17.090   4.110  -2.665
  168    HE2  PHE  20           HE2      PHE  20 -14.212   3.404  -5.777
  169    HZ   PHE  20           HZ       PHE  20 -16.527   3.985  -5.074
  170    H    SER  21           H        SER  21 -12.195   2.962   2.159
  171    HA   SER  21           HA       SER  21  -9.550   3.684   2.703
  172   1HB   SER  21           HB1      SER  21 -11.455   3.181   4.350
  173   2HB   SER  21           HB2      SER  21 -10.961   1.460   4.247
  174    HG   SER  21           HG       SER  21  -9.884   2.585   5.948
  175    H    SER  22           H        SER  22  -7.616   3.000   2.319
  176    HA   SER  22           HA       SER  22  -7.001   0.257   1.465
  177   1HB   SER  22           HB1      SER  22  -6.660   1.519  -0.580
  178   2HB   SER  22           HB2      SER  22  -6.322   3.015   0.330
  179    HG   SER  22           HG       SER  22  -4.335   2.098   0.924
  180    H    PHE  23           H        PHE  23  -4.493   0.260   1.566
  181    HA   PHE  23           HA       PHE  23  -3.142   1.529   3.775
  182   1HB   PHE  23           HB1      PHE  23  -3.396  -1.626   3.811
  183   2HB   PHE  23           HB2      PHE  23  -2.026  -0.732   4.442
  184    HD1  PHE  23           HD1      PHE  23  -5.737  -1.041   4.780
  185    HD2  PHE  23           HD2      PHE  23  -2.082   0.353   6.563
  186    HE1  PHE  23           HE1      PHE  23  -6.964  -0.488   6.856
  187    HE2  PHE  23           HE2      PHE  23  -3.275   0.885   8.630
  188    HZ   PHE  23           HZ       PHE  23  -5.743   0.486   8.790
  189    H    TYR  24           H        TYR  24  -0.920   1.838   3.184
  190    HA   TYR  24           HA       TYR  24   0.003   0.366   0.781
  191   1HB   TYR  24           HB1      TYR  24   0.952   2.172  -0.327
  192   2HB   TYR  24           HB2      TYR  24  -0.644   2.760   0.152
  193    HD1  TYR  24           HD1      TYR  24  -0.829   4.553   1.922
  194    HD2  TYR  24           HD2      TYR  24   3.008   3.128   0.611
  195    HE1  TYR  24           HE1      TYR  24   0.221   6.583   2.833
  196    HE2  TYR  24           HE2      TYR  24   4.096   5.136   1.674
  197    HH   TYR  24           HH       TYR  24   2.164   7.720   3.150
  198    H    PHE  25           H        PHE  25   2.345  -0.238   0.845
  199    HA   PHE  25           HA       PHE  25   3.369  -0.135   3.633
  200   1HB   PHE  25           HB1      PHE  25   3.175  -2.388   2.390
  201   2HB   PHE  25           HB2      PHE  25   4.598  -1.907   1.456
  202    HD1  PHE  25           HD1      PHE  25   6.769  -1.191   2.860
  203    HD2  PHE  25           HD2      PHE  25   3.461  -3.490   4.404
  204    HE1  PHE  25           HE1      PHE  25   8.178  -2.194   4.647
  205    HE2  PHE  25           HE2      PHE  25   4.736  -4.190   6.273
  206    HZ   PHE  25           HZ       PHE  25   7.191  -3.553   6.407
  207    H    LYS  26           H        LYS  26   4.902   1.319   4.149
  208    HA   LYS  26           HA       LYS  26   5.827   3.149   2.108
  209   1HB   LYS  26           HB1      LYS  26   4.474   3.966   3.831
  210   2HB   LYS  26           HB2      LYS  26   5.393   3.086   5.083
  211   1HG   LYS  26           HG1      LYS  26   5.625   5.190   5.203
  212   2HG   LYS  26           HG2      LYS  26   7.314   4.637   4.826
  213   1HD   LYS  26           HD1      LYS  26   5.340   6.292   3.150
  214   2HD   LYS  26           HD2      LYS  26   6.824   6.893   3.979
  215   1HE   LYS  26           HE1      LYS  26   8.303   5.738   2.446
  216   2HE   LYS  26           HE2      LYS  26   6.885   4.831   1.780
  217   1HZ   LYS  26           HZ1      LYS  26   6.003   6.892   0.942
  218   2HZ   LYS  26           HZ2      LYS  26   7.311   7.766   1.582
  219   3HZ   LYS  26           HZ3      LYS  26   7.571   6.634   0.344
  220    H    TRP  27           H        TRP  27   7.809   2.588   1.296
  221    HA   TRP  27           HA       TRP  27   9.611   0.781   2.154
  222   1HB   TRP  27           HB1      TRP  27   9.525   1.447  -0.094
  223   2HB   TRP  27           HB2      TRP  27   9.602   3.171   0.212
  224    HD1  TRP  27           HD1      TRP  27  11.860   4.086  -0.617
  225    HE1  TRP  27           HE1      TRP  27  14.288   3.153  -0.832
  226    HE3  TRP  27           HE3      TRP  27  10.989  -0.514   1.061
  227    HZ2  TRP  27           HZ2      TRP  27  15.683   0.774  -0.058
  228    HZ3  TRP  27           HZ3      TRP  27  12.872  -2.098   1.543
  229    HH2  TRP  27           HH2      TRP  27  15.211  -1.459   0.924
  230    H    THR  28           H        THR  28   9.867   4.310   2.779
  231    HA   THR  28           HA       THR  28  12.356   3.930   4.183
  232    HB   THR  28           HB       THR  28  12.201   6.479   4.582
  233    HG1  THR  28           HG1      THR  28  10.834   7.465   3.045
  234   1HG2  THR  28           HG21     THR  28  12.214   5.284   1.734
  235   2HG2  THR  28           HG22     THR  28  12.920   6.870   2.221
  236   3HG2  THR  28           HG23     THR  28  13.616   5.339   2.857
  237    H    ALA  29           H        ALA  29   9.170   3.463   5.154
  238    HA   ALA  29           HA       ALA  29   9.665   4.218   7.980
  239   1HB   ALA  29           HB1      ALA  29   7.104   3.161   6.593
  240   2HB   ALA  29           HB2      ALA  29   7.241   3.652   8.336
  241   3HB   ALA  29           HB3      ALA  29   7.473   4.858   7.033
  242    H    LYS  30           H        LYS  30   8.814   1.402   5.953
  243    HA   LYS  30           HA       LYS  30   9.245  -0.693   6.054
  244   1HB   LYS  30           HB1      LYS  30  11.453  -0.092   7.269
  245   2HB   LYS  30           HB2      LYS  30  10.663  -0.737   8.723
  246   1HG   LYS  30           HG1      LYS  30  11.939  -2.541   7.802
  247   2HG   LYS  30           HG2      LYS  30  10.255  -2.932   7.385
  248   1HD   LYS  30           HD1      LYS  30  11.734  -3.436   5.500
  249   2HD   LYS  30           HD2      LYS  30  10.678  -2.068   5.040
  250   1HE   LYS  30           HE1      LYS  30  12.976  -1.726   4.191
  251   2HE   LYS  30           HE2      LYS  30  12.613  -0.459   5.422
  252   1HZ   LYS  30           HZ1      LYS  30  14.158  -2.971   5.860
  253   2HZ   LYS  30           HZ2      LYS  30  14.791  -1.402   5.704
  254   3HZ   LYS  30           HZ3      LYS  30  13.818  -1.796   7.039
  255    H    LYS  31           H        LYS  31   6.892   0.594   7.080
  256    HA   LYS  31           HA       LYS  31   5.525  -1.628   8.263
  257   1HB   LYS  31           HB1      LYS  31   6.435  -0.189  10.130
  258   2HB   LYS  31           HB2      LYS  31   5.487   1.202   9.561
  259   1HG   LYS  31           HG1      LYS  31   4.117  -1.472  10.231
  260   2HG   LYS  31           HG2      LYS  31   4.784  -0.485  11.555
  261   1HD   LYS  31           HD1      LYS  31   3.432   1.404  11.160
  262   2HD   LYS  31           HD2      LYS  31   2.852   0.815   9.577
  263   1HE   LYS  31           HE1      LYS  31   2.149  -0.462  12.304
  264   2HE   LYS  31           HE2      LYS  31   1.074   0.604  11.302
  265   1HZ   LYS  31           HZ1      LYS  31   1.188  -1.018   9.543
  266   2HZ   LYS  31           HZ2      LYS  31   2.186  -2.024  10.479
  267   3HZ   LYS  31           HZ3      LYS  31   0.593  -1.706  10.978
  268    H    CYS  32           H        CYS  32   3.147  -1.201   8.088
  269    HA   CYS  32           HA       CYS  32   2.334  -0.238   5.508
  270   1HB   CYS  32           HB1      CYS  32   0.955  -1.595   7.956
  271   2HB   CYS  32           HB2      CYS  32   0.005  -1.206   6.481
  272    H    LEU  33           H        LEU  33   1.516   1.925   5.146
  273    HA   LEU  33           HA       LEU  33   0.323   3.323   7.500
  274   1HB   LEU  33           HB1      LEU  33   1.249   4.606   4.875
  275   2HB   LEU  33           HB2      LEU  33   0.688   5.429   6.365
  276    HG   LEU  33           HG       LEU  33   3.300   3.895   5.937
  277   1HD1  LEU  33           HD11     LEU  33   2.552   6.837   6.546
  278   2HD1  LEU  33           HD12     LEU  33   4.225   6.182   6.567
  279   3HD1  LEU  33           HD13     LEU  33   3.278   6.165   5.036
  280   1HD2  LEU  33           HD21     LEU  33   2.493   3.387   8.288
  281   2HD2  LEU  33           HD22     LEU  33   3.907   4.495   8.286
  282   3HD2  LEU  33           HD23     LEU  33   2.261   5.148   8.563
  283    HA   PRO  34           HA       PRO  34  -3.506   3.134   4.917
  284   1HB   PRO  34           HB1      PRO  34  -5.285   4.446   6.568
  285   2HB   PRO  34           HB2      PRO  34  -4.480   2.946   7.122
  286   1HG   PRO  34           HG1      PRO  34  -3.680   5.821   7.829
  287   2HG   PRO  34           HG2      PRO  34  -3.882   4.421   8.957
  288   1HD   PRO  34           HD1      PRO  34  -1.422   5.300   7.706
  289   2HD   PRO  34           HD2      PRO  34  -1.705   3.640   8.426
  290    H    PHE  35           H        PHE  35  -4.426   4.165   3.427
  291    HA   PHE  35           HA       PHE  35  -4.757   6.988   3.386
  292   1HB   PHE  35           HB1      PHE  35  -3.440   7.763   1.726
  293   2HB   PHE  35           HB2      PHE  35  -2.362   6.451   2.255
  294    HD1  PHE  35           HD1      PHE  35  -2.811   4.064   0.941
  295    HD2  PHE  35           HD2      PHE  35  -3.867   8.016  -0.585
  296    HE1  PHE  35           HE1      PHE  35  -2.959   3.198  -1.378
  297    HE2  PHE  35           HE2      PHE  35  -3.988   7.054  -2.817
  298    HZ   PHE  35           HZ       PHE  35  -3.659   4.649  -3.169
  299    H    LEU  36           H        LEU  36  -6.328   7.275   1.250
  300    HA   LEU  36           HA       LEU  36  -8.066   4.910   1.071
  301   1HB   LEU  36           HB1      LEU  36  -8.633   7.955   0.965
  302   2HB   LEU  36           HB2      LEU  36  -9.792   6.683   0.437
  303    HG   LEU  36           HG       LEU  36  -9.650   5.673   2.676
  304   1HD1  LEU  36           HD11     LEU  36  -8.341   8.291   3.485
  305   2HD1  LEU  36           HD12     LEU  36  -9.314   7.249   4.605
  306   3HD1  LEU  36           HD13     LEU  36  -7.853   6.565   3.840
  307   1HD2  LEU  36           HD21     LEU  36 -11.627   6.935   1.868
  308   2HD2  LEU  36           HD22     LEU  36 -11.373   7.270   3.608
  309   3HD2  LEU  36           HD23     LEU  36 -10.881   8.494   2.378
  310    H    PHE  37           H        PHE  37  -8.951   4.581  -1.029
  311    HA   PHE  37           HA       PHE  37  -7.343   5.639  -3.340
  312   1HB   PHE  37           HB1      PHE  37  -6.796   3.314  -2.929
  313   2HB   PHE  37           HB2      PHE  37  -8.545   2.928  -2.582
  314    HD1  PHE  37           HD1      PHE  37  -6.924   4.535  -5.790
  315    HD2  PHE  37           HD2      PHE  37  -9.265   1.336  -4.014
  316    HE1  PHE  37           HE1      PHE  37  -7.220   3.470  -7.968
  317    HE2  PHE  37           HE2      PHE  37  -9.630   0.425  -6.290
  318    HZ   PHE  37           HZ       PHE  37  -8.370   1.331  -8.192
  319    H    SER  38           H        SER  38  -8.400   6.529  -5.206
  320    HA   SER  38           HA       SER  38 -11.311   6.788  -4.989
  321   1HB   SER  38           HB1      SER  38  -9.653   8.701  -5.366
  322   2HB   SER  38           HB2      SER  38  -9.622   8.204  -7.092
  323    HG   SER  38           HG       SER  38 -11.972   8.831  -5.529
  324    H    GLY  39           H        GLY  39  -9.457   4.401  -6.652
  325   1HA   GLY  39           HA1      GLY  39 -10.683   2.702  -7.601
  326   2HA   GLY  39           HA2      GLY  39 -11.858   3.759  -8.223
  327    H    CYS  40           H        CYS  40 -10.230   5.613  -9.529
  328    HA   CYS  40           HA       CYS  40  -8.673   4.212 -11.574
  329   1HB   CYS  40           HB1      CYS  40  -9.893   6.143 -13.165
  330   2HB   CYS  40           HB2      CYS  40 -10.355   4.434 -13.036
  331    H    GLY  41           H        GLY  41  -6.854   5.441 -12.140
  332   1HA   GLY  41           HA1      GLY  41  -5.527   7.491 -12.051
  333   2HA   GLY  41           HA2      GLY  41  -6.489   8.028 -10.662
  334    H    GLY  42           H        GLY  42  -6.127   5.002  -9.797
  335   1HA   GLY  42           HA1      GLY  42  -3.612   5.321  -8.300
  336   2HA   GLY  42           HA2      GLY  42  -5.011   4.272  -7.933
  337    H    ASN  43           H        ASN  43  -2.644   2.987  -7.707
  338    HA   ASN  43           HA       ASN  43  -2.517   1.356 -10.194
  339   1HB   ASN  43           HB1      ASN  43  -0.051   0.912  -9.741
  340   2HB   ASN  43           HB2      ASN  43  -0.527   2.531 -10.308
  341   1HD2  ASN  43           HD21     ASN  43   1.191   4.042  -7.668
  342   2HD2  ASN  43           HD22     ASN  43   0.737   4.053  -9.368
  343    H    ALA  44           H        ALA  44  -0.682   0.377  -7.370
  344    HA   ALA  44           HA       ALA  44  -2.643  -1.698  -6.699
  345   1HB   ALA  44           HB1      ALA  44  -1.911  -2.542  -8.878
  346   2HB   ALA  44           HB2      ALA  44  -0.199  -2.536  -8.368
  347   3HB   ALA  44           HB3      ALA  44  -1.406  -3.670  -7.606
  348    H    ASN  45           H        ASN  45  -0.617   0.303  -5.312
  349    HA   ASN  45           HA       ASN  45   0.429  -1.693  -3.332
  350   1HB   ASN  45           HB1      ASN  45   2.155  -0.246  -4.156
  351   2HB   ASN  45           HB2      ASN  45   1.235   1.247  -3.822
  352   1HD2  ASN  45           HD21     ASN  45   3.612   1.341  -1.150
  353   2HD2  ASN  45           HD22     ASN  45   3.195   1.903  -2.756
  354    H    ARG  46           H        ARG  46  -2.184  -1.601  -3.348
  355    HA   ARG  46           HA       ARG  46  -3.196   0.112  -1.209
  356   1HB   ARG  46           HB1      ARG  46  -5.235   0.706  -2.603
  357   2HB   ARG  46           HB2      ARG  46  -3.678   1.407  -3.083
  358   1HG   ARG  46           HG1      ARG  46  -3.582  -0.766  -4.758
  359   2HG   ARG  46           HG2      ARG  46  -5.320  -0.843  -4.395
  360   1HD   ARG  46           HD1      ARG  46  -4.788   0.360  -6.546
  361   2HD   ARG  46           HD2      ARG  46  -5.597   1.420  -5.328
  362    HE   ARG  46           HE       ARG  46  -2.533   1.266  -5.513
  363   1HH1  ARG  46           HH11     ARG  46  -5.318   3.574  -5.415
  364   2HH1  ARG  46           HH12     ARG  46  -4.177   4.894  -5.367
  365   1HH2  ARG  46           HH21     ARG  46  -1.366   3.063  -5.692
  366   2HH2  ARG  46           HH22     ARG  46  -2.179   4.610  -5.583
  367    H    PHE  47           H        PHE  47  -3.543  -1.220   0.135
  368    HA   PHE  47           HA       PHE  47  -4.507  -3.947  -0.383
  369   1HB   PHE  47           HB1      PHE  47  -3.065  -2.683   2.069
  370   2HB   PHE  47           HB2      PHE  47  -3.244  -4.443   1.714
  371    HD1  PHE  47           HD1      PHE  47  -2.411  -4.787  -1.112
  372    HD2  PHE  47           HD2      PHE  47  -0.831  -1.981   1.756
  373    HE1  PHE  47           HE1      PHE  47  -0.246  -4.658  -2.336
  374    HE2  PHE  47           HE2      PHE  47   1.303  -2.037   0.642
  375    HZ   PHE  47           HZ       PHE  47   1.592  -3.265  -1.443
  376    H    GLN  48           H        GLN  48  -6.357  -4.643   0.408
  377    HA   GLN  48           HA       GLN  48  -8.510  -3.097   1.070
  378   1HB   GLN  48           HB1      GLN  48  -7.969  -6.089   1.610
  379   2HB   GLN  48           HB2      GLN  48  -9.612  -5.361   1.571
  380   1HG   GLN  48           HG1      GLN  48  -9.552  -4.952  -0.788
  381   2HG   GLN  48           HG2      GLN  48  -7.850  -5.425  -1.026
  382   1HE2  GLN  48           HE21     GLN  48  -8.820  -8.967  -0.355
  383   2HE2  GLN  48           HE22     GLN  48  -7.492  -7.918   0.101
  384    H    THR  49           H        THR  49  -6.397  -4.806   3.344
  385    HA   THR  49           HA       THR  49  -7.491  -3.364   5.619
  386    HB   THR  49           HB       THR  49  -7.384  -5.309   7.123
  387    HG1  THR  49           HG1      THR  49  -7.347  -7.371   6.194
  388   1HG2  THR  49           HG21     THR  49  -9.549  -4.739   6.001
  389   2HG2  THR  49           HG22     THR  49  -9.190  -5.916   4.698
  390   3HG2  THR  49           HG23     THR  49  -9.415  -6.487   6.391
  391    H    ILE  50           H        ILE  50  -5.911  -3.774   7.526
  392    HA   ILE  50           HA       ILE  50  -3.302  -2.977   6.855
  393    HB   ILE  50           HB       ILE  50  -4.664  -2.122   8.705
  394   1HG1  ILE  50           HG11     ILE  50  -2.063  -3.326   9.806
  395   2HG1  ILE  50           HG12     ILE  50  -2.170  -1.907   8.714
  396   1HG2  ILE  50           HG21     ILE  50  -5.787  -4.300   9.387
  397   2HG2  ILE  50           HG22     ILE  50  -4.233  -4.814  10.135
  398   3HG2  ILE  50           HG23     ILE  50  -5.101  -3.379  10.757
  399   1HD1  ILE  50           HD11     ILE  50  -3.588  -0.700  10.404
  400   2HD1  ILE  50           HD12     ILE  50  -3.406  -2.081  11.552
  401   3HD1  ILE  50           HD13     ILE  50  -1.965  -1.123  11.048
  402    H    GLY  51           H        GLY  51  -4.464  -6.083   7.012
  403   1HA   GLY  51           HA1      GLY  51  -1.786  -7.167   7.610
  404   2HA   GLY  51           HA2      GLY  51  -3.303  -8.012   7.576
  405    H    GLU  52           H        GLU  52  -3.917  -6.803   4.769
  406    HA   GLU  52           HA       GLU  52  -2.594  -8.711   3.080
  407   1HB   GLU  52           HB1      GLU  52  -4.898  -7.951   2.631
  408   2HB   GLU  52           HB2      GLU  52  -4.361  -6.253   2.569
  409   1HG   GLU  52           HG1      GLU  52  -4.912  -6.914   0.339
  410   2HG   GLU  52           HG2      GLU  52  -3.146  -6.701   0.343
  411    H    CYS  53           H        CYS  53  -1.818  -5.557   4.090
  412    HA   CYS  53           HA       CYS  53   0.098  -4.756   2.148
  413   1HB   CYS  53           HB1      CYS  53  -1.236  -3.170   3.386
  414   2HB   CYS  53           HB2      CYS  53  -0.903  -3.789   4.951
  415    H    ARG  54           H        ARG  54   0.205  -6.911   4.859
  416    HA   ARG  54           HA       ARG  54   3.030  -6.726   5.443
  417   1HB   ARG  54           HB1      ARG  54   0.957  -8.648   6.556
  418   2HB   ARG  54           HB2      ARG  54   2.546  -8.204   7.257
  419   1HG   ARG  54           HG1      ARG  54   1.757  -5.828   7.493
  420   2HG   ARG  54           HG2      ARG  54   0.130  -6.327   6.980
  421   1HD   ARG  54           HD1      ARG  54   1.710  -7.210   9.397
  422   2HD   ARG  54           HD2      ARG  54   0.145  -6.294   9.397
  423    HE   ARG  54           HE       ARG  54  -0.458  -8.720   8.088
  424   1HH1  ARG  54           HH11     ARG  54   0.841  -8.019  11.254
  425   2HH1  ARG  54           HH12     ARG  54   0.143  -9.451  11.957
  426   1HH2  ARG  54           HH21     ARG  54  -1.205 -10.592   9.037
  427   2HH2  ARG  54           HH22     ARG  54  -1.096 -10.793  10.751
  428    H    LYS  55           H        LYS  55   1.012  -9.042   3.564
  429    HA   LYS  55           HA       LYS  55   2.940 -11.170   3.560
  430   1HB   LYS  55           HB1      LYS  55   0.415 -11.330   3.477
  431   2HB   LYS  55           HB2      LYS  55   0.420 -10.593   1.849
  432   1HG   LYS  55           HG1      LYS  55   1.795 -12.655   1.071
  433   2HG   LYS  55           HG2      LYS  55   1.590 -13.319   2.729
  434   1HD   LYS  55           HD1      LYS  55  -0.907 -13.197   2.434
  435   2HD   LYS  55           HD2      LYS  55  -0.672 -12.484   0.801
  436   1HE   LYS  55           HE1      LYS  55   0.492 -14.625   0.065
  437   2HE   LYS  55           HE2      LYS  55   0.138 -15.337   1.694
  438   1HZ   LYS  55           HZ3      LYS  55  -2.203 -14.968   1.272
  439   2HZ   LYS  55           HZ1      LYS  55  -1.864 -14.297  -0.251
  440   3HZ   LYS  55           HZ2      LYS  55  -1.507 -15.929   0.057
  441    H    LYS  56           H        LYS  56   2.805  -8.268   1.887
  442    HA   LYS  56           HA       LYS  56   4.236  -9.165  -0.521
  443   1HB   LYS  56           HB1      LYS  56   2.443  -6.835   0.206
  444   2HB   LYS  56           HB2      LYS  56   3.578  -6.667  -1.155
  445   1HG   LYS  56           HG1      LYS  56   2.826  -8.681  -2.222
  446   2HG   LYS  56           HG2      LYS  56   1.640  -9.032  -0.934
  447   1HD   LYS  56           HD1      LYS  56   1.397  -6.400  -2.661
  448   2HD   LYS  56           HD2      LYS  56   0.888  -8.026  -3.197
  449   1HE   LYS  56           HE1      LYS  56  -0.508  -8.464  -1.155
  450   2HE   LYS  56           HE2      LYS  56  -0.257  -6.755  -0.642
  451   1HZ   LYS  56           HZ1      LYS  56  -1.467  -7.686  -3.204
  452   2HZ   LYS  56           HZ2      LYS  56  -2.299  -7.083  -1.852
  453   3HZ   LYS  56           HZ3      LYS  56  -1.259  -6.067  -2.731
  454    H    CYS  57           H        CYS  57   4.830  -7.243   2.473
  455    HA   CYS  57           HA       CYS  57   7.521  -6.393   1.350
  456   1HB   CYS  57           HB1      CYS  57   5.210  -4.706   2.607
  457   2HB   CYS  57           HB2      CYS  57   6.855  -4.190   2.544
  458    H    LEU  58           H        LEU  58   6.580  -8.459   3.597
  459    HA   LEU  58           HA       LEU  58   8.679  -7.613   5.448
  460   1HB   LEU  58           HB1      LEU  58   5.824  -7.958   6.374
  461   2HB   LEU  58           HB2      LEU  58   7.150  -8.412   7.501
  462    HG   LEU  58           HG       LEU  58   6.849  -5.719   6.228
  463   1HD1  LEU  58           HD11     LEU  58   5.012  -6.264   7.969
  464   2HD1  LEU  58           HD12     LEU  58   6.295  -6.722   9.126
  465   3HD1  LEU  58           HD13     LEU  58   6.159  -5.014   8.615
  466   1HD2  LEU  58           HD21     LEU  58   8.791  -6.637   8.420
  467   2HD2  LEU  58           HD22     LEU  58   9.201  -6.008   6.775
  468   3HD2  LEU  58           HD23     LEU  58   8.454  -4.918   7.976
  469    H    GLY  59           H        GLY  59   6.716 -10.193   4.017
  470   1HA   GLY  59           HA1      GLY  59   7.160 -12.311   3.720
  471   2HA   GLY  59           HA2      GLY  59   8.560 -12.242   4.872
  472    H    LYS  60           H        LYS  60   4.987 -11.769   4.931
  473    HA   LYS  60           HA       LYS  60   4.583 -13.808   6.898
  474   1HB   LYS  60           HB1      LYS  60   3.500 -12.105   8.482
  475   2HB   LYS  60           HB2      LYS  60   5.301 -12.101   8.448
  476   1HG   LYS  60           HG1      LYS  60   5.256 -10.106   6.832
  477   2HG   LYS  60           HG2      LYS  60   3.485 -10.079   7.006
  478   1HD   LYS  60           HD1      LYS  60   5.639  -9.534   9.138
  479   2HD   LYS  60           HD2      LYS  60   4.478  -8.394   8.354
  480   1HE   LYS  60           HE1      LYS  60   2.570  -9.595   9.504
  481   2HE   LYS  60           HE2      LYS  60   3.781 -10.622  10.377
  482   1HZ   LYS  60           HZ1      LYS  60   3.622  -7.653  10.465
  483   2HZ   LYS  60           HZ2      LYS  60   3.106  -8.729  11.673
  484   3HZ   LYS  60           HZ3      LYS  60   4.755  -8.621  11.280
    
  No H/Q in entry =         484