*HEADER   CELLULASE                               18-NOV-97   1AZH    
*TITLE    THREE-DIMENSIONAL STRUCTURES OF THREE ENGINEERED            
*TITLE   2 CELLULOSE-BINDING DOMAINS OF CELLOBIOHYDROLASE I FROM      
*TITLE   3 TRICHODERMA REESEI, NMR, 14 STRUCTURES                     
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CELLOBIOHYDROLASE I;                             
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: CELLULOSE-BINDING DOMAIN;                        
*COMPND  5 SYNONYM: CBD;                                              
*COMPND  6 EC: 3.2.1.91;                                              
*COMPND  7 ENGINEERED: YES;                                           
*COMPND  8 MUTATION: Y5A                                              
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: TRICHODERMA REESEI                    
*KEYWDS   CELLULASE, NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY,         
*KEYWDS  2 PROTEIN-CARBOHYDRATE INTERACTION                           
*EXPDTA   NMR, 14 STRUCTURES                                          
*AUTHOR   M.-L.MATTINEN                                               
*REVDAT  1   08-APR-98 1AZH    0                                      
 
!BIOSYM restraint 1
!
#remote_prochiral_center
1:LEU_28:HD2*	1:LEU_28:HD1*	1:LEU_28:CD2	1:LEU_28:CD1	1:LEU_28:CG
1:VAL_18:HG2*	1:VAL_18:HG1*	1:VAL_18:CG2	1:VAL_18:CG1	1:VAL_18:CB
1:VAL_27:HG1*	1:VAL_27:HG2*	1:VAL_27:CG1	1:VAL_27:CG2	1:VAL_27:CB
1:LEUC_36:HD2*	1:LEUC_36:HD1*	1:LEUC_36:CD2*	1:LEUC_36:CD1	1:LEUC_36:CG
!
#distance
1:CYSH_8:SG	1:CYSH_25:SG	1.850	4.000	30.000	30.000	1000.000
1:CYSH_19:SG	1:CYSH_35:SG	1.850	4.000	30.000	30.000	1000.000
!
#NOE_distance
1:CYSH_8:HN       1:GLY_9:HN           1.780  2.543 2.543     30.000     30.000  1000.000 0.00   
1:GLY_12:HN       1:TYR_13:HN          2.131  3.197 3.197     30.000     30.000  1000.000 0.00  
1:THR_17:HN       1:VAL_18:HN          1.780  2.554 2.554     30.000     30.000  1000.000 0.00     
1:GLY_22:HN       1:THR_23:HN          2.000  3.000 3.000     30.000     30.000  1000.000 0.00     
1:TYR_32:HN       1:TYR_31:HN          1.780  6.000 6.000     30.000     30.000  1000.000 0.00    
1:GLN_7:HN        1:GLY_6:HA*          1.792  2.687 2.687     30.000     30.000  1000.000 0.00    
1:CYSH_8:HN       1:GLN_7:HA           1.780  2.441 2.441     30.000     30.000  1000.000 0.00   
1:ILE_11:HN       1:GLY_10:HA1         2.123  3.185 3.185     30.000     30.000  1000.000 0.00    
1:ILE_11:HN       1:GLY_10:HA2         1.780  2.406 2.406     30.000     30.000  1000.000 0.00    
1:GLY_12:HN       1:ILE_11:HA          1.700  2.395 2.395     30.000     30.000  1000.000 0.00    
1:SER_14:HN       1:TYR_13:HA          2.014  3.021 3.021     30.000     30.000  1000.000 0.00    
1:THR_17:HN       1:PRO_16:HA          1.700  2.502 2.502     30.000     30.000  1000.000 0.00   
1:GLY_22:HN       1:SER_21:HA          1.700  2.511 2.511     30.000     30.000  1000.000 0.00   
1:LEU_28:HN       1:VAL_27:HA          1.700  2.396 2.396     30.000     30.000  1000.000 0.00   
1:TYR_13:HN       1:ILE_11:HA          2.124  3.185 3.185     30.000     30.000  1000.000 0.00   
1:THR_23:HN       1:SER_21:HA          2.496  3.744 3.744     30.000     30.000  1000.000 0.00   
1:ALA_20:HN       1:CYSH_19:HB1        2.484  3.725 3.725     30.000     30.000  1000.000 0.00  
1:SER_21:HN       1:ALA_20:HB*         1.987  2.981 2.981     30.000     30.000  1000.000 0.00 
1:GLY_22:HN       1:SER_21:HB*         1.970  2.956 2.956     30.000     30.000  1000.000 0.00   
1:CYSH_25:HN      1:THR_24:HB          2.460  3.690 3.690     30.000     30.000  1000.000 0.00    
1:VAL_27:HN       1:GLN_26:HB1         2.469  3.703 3.703     30.000     30.000  1000.000 0.00  
1:ASN_29:HN       1:LEU_28:HB2         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:LEU_28:HN       1:SER_33:HA          2.639  3.959 3.959     30.000     30.000  1000.000 0.00   
1:TYR_13:HD*      1:GLY_9:HA1          2.330  3.495 3.495     30.000     30.000  1000.000 0.00    
1:TYR_13:HE*      1:THR_17:HG*         2.878  4.317 4.317     30.000     30.000  1000.000 0.00   
1:TYR_32:HD*      1:LEU_28:HB1         2.872  4.308 4.308     30.000     30.000  1000.000 0.00   
1:TYR_32:HD*      1:LEU_28:HD1*        1.832  2.748 2.748     30.000     30.000  1000.000 0.00   
1:TYR_32:HE*      1:LEU_28:HD1*        2.491  3.737 3.737     30.000     30.000  1000.000 0.00   
1:CYSH_8:HN       1:GLN_7:HG1          1.959  2.939 2.939     30.000     30.000  1000.000 0.00   
1:GLY_9:HN        1:GLN_7:HG1          2.918  4.378 4.378     30.000     30.000  1000.000 0.00   
1:GLY_9:HN        1:GLN_7:HG2          2.212  3.318 3.318     30.000     30.000  1000.000 0.00    
1:GLY_12:HN       1:ILE_11:HG2*        2.512  3.768 3.768     30.000     30.000  1000.000 0.00   
1:THR_24:HN       1:THR_23:HG*         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:CYSH_25:HN      1:THR_24:HG*         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:LEU_28:HN       1:VAL_27:HG1*        2.311  3.466 3.466     30.000     30.000  1000.000 0.00   
1:ASN_29:HN       1:VAL_27:HG1*        2.003  3.004 3.004     30.000     30.000  1000.000 0.00   
1:ILE_11:HN       1:TYR_31:HA          2.023  3.034 3.034     30.000     30.000  1000.000 0.00   
1:GLY_9:HN        1:SER_33:HB2         2.475  3.712 3.712     30.000     30.000  1000.000 0.00   
1:PRO_30:HB1      1:ILE_11:HD*         2.836  4.255 4.255     30.000     30.000  1000.000 0.00   
1:GLN_7:HE21      1:TYR_13:HB2         2.830  4.245 4.245     30.000     30.000  1000.000 0.00   
1:TYR_31:HD*      1:ILE_11:HB          3.023  4.535 4.535     30.000     30.000  1000.000 0.00   
1:TYR_31:HD*      1:ILE_11:HG2*        2.686  4.029 4.029     30.000     30.000  1000.000 0.00   
1:TYR_31:HE*      1:ILE_11:HG2*        2.313  3.469 3.469     30.000     30.000  1000.000 0.00   
1:TYR_32:HE*      1:GLN_7:HB1          2.322  3.483 3.483     30.000     30.000  1000.000 0.00   
1:TYR_32:HE*      1:GLN_34:HB*         1.990  2.985 2.985     30.000     30.000  1000.000 0.00   
1:GLY_6:HN        1:GLY_6:HA*          1.731  2.596 2.596     30.000     30.000  1000.000 0.00   
1:GLN_7:HN        1:GLN_7:HA           2.154  3.231 3.231     30.000     30.000  1000.000 0.00   
1:GLY_9:HN        1:GLY_9:HA1          2.452  3.678 3.678     30.000     30.000  1000.000 0.00   
1:GLY_9:HN        1:GLY_9:HA2          2.278  3.417 3.417     30.000     30.000  1000.000 0.00  
1:GLY_10:HN       1:GLY_10:HA2         1.700  2.487 2.487     30.000     30.000  1000.000 0.00  
1:GLY_12:HN       1:GLY_12:HA1         2.117  3.176 3.176     30.000     30.000  1000.000 0.00  
1:GLY_12:HN       1:GLY_12:HA2         1.869  2.804 2.804     30.000     30.000  1000.000 0.00  
1:SER_14:HN       1:SER_14:HA          2.578  3.866 3.866     30.000     30.000  1000.000 0.00   
1:VAL_18:HN       1:VAL_18:HA          2.195  3.293 3.293     30.000     30.000  1000.000 0.00   
1:ALA_20:HN       1:ALA_20:HA          2.007  3.011 3.011     30.000     30.000  1000.000 0.00   
1:SER_21:HN       1:ALA_20:HA          1.700  2.365 2.365     30.000     30.000  1000.000 0.00  
1:GLY_22:HN       1:GLY_22:HA1         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:GLY_22:HN       1:GLY_22:HA2         1.758  2.638 2.638     30.000     30.000  1000.000 0.00 
1:THR_24:HN       1:THR_24:HA          1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:CYSH_25:HN      1:THR_24:HA          1.700  2.543 2.543     30.000     30.000  1000.000 0.00  
1:VAL_27:HN       1:VAL_27:HA          1.719  2.578 2.578     30.000     30.000  1000.000 0.00  
1:TYR_31:HN       1:TYR_31:HA          1.861  2.792 2.792     30.000     30.000  1000.000 0.00   
1:GLN_2:HB1       1:GLN_2:HA           3.541  5.311 5.311     30.000     30.000  1000.000 0.00   
1:CYSH_8:HB1      1:CYSH_8:HA          1.912  2.868 2.868     30.000     30.000  1000.000 0.00   
1:ILE_11:HA       1:ILE_11:HB          1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:VAL_18:HA       1:VAL_18:HB          2.102  3.153 3.153     30.000     30.000  1000.000 0.00   
1:VAL_27:HA       1:VAL_27:HB          1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:PRO_30:HA       1:PRO_30:HB1         1.700  2.465 2.465     30.000     30.000  1000.000 0.00  
1:PRO_30:HA       1:PRO_30:HB2         2.140  3.209 3.209     30.000     30.000  1000.000 0.00   
1:SER_33:HB1      1:SER_33:HA          2.009  3.014 3.014     30.000     30.000  1000.000 0.00  
1:GLN_2:HN        1:GLN_2:HB1          1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:HIS_4:HN        1:HIS_4:HB*          1.933  2.899 2.899     30.000     30.000  1000.000 0.00   
1:GLN_7:HN        1:GLN_7:HB1          1.775  2.663 2.663     30.000     30.000  1000.000 0.00  
1:ILE_11:HN       1:ILE_11:HB          1.700  2.429 2.429     30.000     30.000  1000.000 0.00   
1:TYR_13:HN       1:TYR_13:HB1         1.716  2.575 2.575     30.000     30.000  1000.000 0.00   
1:TYR_13:HN       1:TYR_13:HB2         1.925  2.887 2.887     30.000     30.000  1000.000 0.00   
1:SER_14:HN       1:SER_14:HB1         2.414  3.622 3.622     30.000     30.000  1000.000 0.00   
1:SER_14:HN       1:SER_14:HB2         2.576  3.864 3.864     30.000     30.000  1000.000 0.00   
1:VAL_18:HN       1:VAL_18:HB          1.700  2.543 2.543     30.000     30.000  1000.000 0.00   
1:ALA_20:HN       1:ALA_20:HB*         1.700  2.495 2.495     30.000     30.000  1000.000 0.00  
1:THR_24:HN       1:THR_24:HB          3.188  4.782 4.782     30.000     30.000  1000.000 0.00   
1:CYSH_25:HN      1:CYSH_25:HB1        1.793  2.690 2.690     30.000     30.000  1000.000 0.00   
1:CYSH_25:HN      1:CYSH_25:HB2        1.873  2.809 2.809     30.000     30.000  1000.000 0.00   
1:GLN_26:HN       1:GLN_26:HB2         1.905  2.858 2.858     30.000     30.000  1000.000 0.00  
1:VAL_27:HN       1:VAL_27:HB          1.700  2.543 2.543     30.000     30.000  1000.000 0.00  
1:LEU_28:HN       1:LEU_28:HB2         2.296  3.444 3.444     30.000     30.000  1000.000 0.00  
1:LEU_28:HN       1:LEU_28:HB1         1.700  2.513 2.513     30.000     30.000  1000.000 0.00  
1:TYR_32:HN       1:TYR_32:HB1         2.211  3.317 3.317     30.000     30.000  1000.000 0.00 
1:TYR_32:HN       1:TYR_32:HB2         2.627  3.940 3.940     30.000     30.000  1000.000 0.00  
1:CYSH_35:HN      1:CYSH_35:HB2        1.822  2.733 2.733     30.000     30.000  1000.000 0.00  
1:CYSH_35:HN      1:CYSH_35:HB1        2.412  3.617 3.617     30.000     30.000  1000.000 0.00  
1:LEUC_36:HN      1:LEUC_36:HB1        2.643  3.964 3.964     30.000     30.000  1000.000 0.00   
1:GLN_2:HE21      1:GLN_2:HB1          1.780  6.000 6.000     30.000     30.000  1000.000 0.00  
1:GLN_7:HE21      1:GLN_7:HG2          2.368  3.551 3.551     30.000     30.000  1000.000 0.00   
1:GLN_26:HE21     1:GLN_26:HG1         1.852  2.778 2.778     30.000     30.000  1000.000 0.00   
1:ASN_29:HD21     1:ASN_29:HB*         2.108  3.162 3.162     30.000     30.000  1000.000 0.00  
1:HIS_4:HD2       1:HIS_4:HA           2.600  3.899 3.899     30.000     30.000  1000.000 0.00   
1:TYR_13:HD*      1:TYR_13:HA          1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:TYR_13:HD*      1:TYR_13:HB1         1.780  4.246 4.246     30.000     30.000  1000.000 0.00   
1:TYR_13:HD*      1:TYR_13:HB2         2.248  3.372 3.372     30.000     30.000  1000.000 0.00   
1:TYR_31:HD*      1:TYR_31:HA          2.430  3.646 3.646     30.000     30.000  1000.000 0.00   
1:TYR_31:HD*      1:TYR_31:HB1         1.971  2.957 2.957     30.000     30.000  1000.000 0.00    
1:TYR_31:HN       1:TYR_31:HD*         2.114  3.171 3.171     30.000     30.000  1000.000 0.00   
1:ILE_11:HN       1:ILE_11:HG11        2.026  3.039 3.039     30.000     30.000  1000.000 0.00  
1:ILE_11:HN       1:ILE_11:HG12        4.196  6.000 6.000     30.000     30.000  1000.000 0.00  
1:ILE_11:HN       1:ILE_11:HG2*        3.076  4.615 4.615     30.000     30.000  1000.000 0.00  
1:ILE_11:HN       1:ILE_11:HD*         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:THR_17:HN       1:THR_17:HG*         2.315  3.472 3.472     30.000     30.000  1000.000 0.00  
1:VAL_18:HN       1:VAL_18:HG**        2.197  3.295 3.295     30.000     30.000  1000.000 0.00 
1:THR_23:HN       1:THR_23:HG*         4.693  6.000 6.000     30.000     30.000  1000.000 0.00  
1:THR_24:HN       1:THR_24:HG*         4.034  6.000 6.000     30.000     30.000  1000.000 0.00  
1:VAL_27:HN       1:VAL_27:HG2**       1.919  2.879 2.879     30.000     30.000  1000.000 0.00  
1:VAL_27:HN       1:VAL_27:HG1*        1.780  6.000 6.000     30.000     30.000  1000.000 0.00  
1:LEUC_36:HN      1:LEUC_36:HG         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:ILE_11:HA       1:ILE_11:HG2*        2.061  3.092 3.092     30.000     30.000  1000.000 0.00 
1:VAL_27:HA       1:VAL_27:HG1*        1.930  2.894 2.894     30.000     30.000  1000.000 0.00   
1:VAL_27:HA       1:VAL_27:HG2**       1.936  2.903 2.903     30.000     30.000  1000.000 0.00   
1:GLN_2:HN        1:GLN_2:HB2          2.206  3.309 3.309     30.000     30.000  1000.000 0.00   
1:SER_21:HN       1:SER_21:HB*         1.700  2.510 2.510     30.000     30.000  1000.000 0.00   
1:GLY_15:HA1      1:GLY_15:HA2         1.700  2.021 2.021     30.000     30.000  1000.000 0.00   
1:GLN_7:HN        1:GLN_7:HB2          2.021  3.031 3.031     30.000     30.000  1000.000 0.00  
1:GLN_7:HE21      1:GLN_7:HE22         1.700  1.944 1.944     30.000     30.000  1000.000 0.00  
1:GLN_2:HE21      1:GLN_2:HE22         2.835  4.253 4.253     30.000     30.000  1000.000 0.00   
1:GLN_26:HE21     1:GLN_26:HE22        2.135  3.202 3.202     30.000     30.000  1000.000 0.00   
1:TYR_13:HD*      1:TYR_13:HE*         2.425  3.637 3.637     30.000     30.000  1000.000 0.00   
1:TYR_31:HD*      1:TYR_31:HE*         1.861  2.792 2.792     30.000     30.000  1000.000 0.00   
1:TYR_32:HD*      1:TYR_32:HE*         1.700  2.354 2.354     30.000     30.000  1000.000 0.00   
1:HIS_4:HE2       1:HIS_4:HD2          1.700  2.301 2.301     30.000     30.000  1000.000 0.00  
1:ASN_29:HD21     1:ASN_29:HD22        1.700  1.967 1.967     30.000     30.000  1000.000 0.00   
1:GLY_9:HA1       1:GLY_9:HA2          1.700  1.989 1.989     30.000     30.000  1000.000 0.00   
1:GLY_10:HA1      1:GLY_10:HA2         1.700  2.121 2.121     30.000     30.000  1000.000 0.00 
1:ILE_11:HA       1:ILE_11:HG11        2.060  3.091 3.091     30.000     30.000  1000.000 0.00   
1:ILE_11:HA       1:ILE_11:HG12        1.708  2.561 2.561     30.000     30.000  1000.000 0.00
1:ILE_11:HG11     1:ILE_11:HG12        1.700  2.197 2.197     30.000     30.000  1000.000 0.00  
1:GLY_12:HA1      1:GLY_12:HA2         1.700  2.019 2.019     30.000     30.000  1000.000 0.00 
1:GLY_22:HA1      1:GLY_22:HA2         1.700  2.414 2.414     30.000     30.000  1000.000 0.00   
1:TYR_13:HB1      1:TYR_13:HB2         1.700  2.269 2.269     30.000     30.000  1000.000 0.00   
1:SER_14:HB1      1:SER_14:HB2         1.700  2.407 2.407     30.000     30.000  1000.000 0.00   
1:PRO_16:HB1      1:PRO_16:HB2         1.730  2.595 2.595     30.000     30.000  1000.000 0.00   
1:PRO_16:HD2      1:PRO_16:HG1         2.169  3.254 3.254     30.000     30.000  1000.000 0.00   
1:PRO_16:HD2      1:PRO_16:HG2         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:PRO_16:HD1      1:PRO_16:HG1         2.936  4.404 4.404     30.000     30.000  1000.000 0.00  
1:VAL_18:HA       1:VAL_18:HG**        2.180  3.270 3.270     30.000     30.000  1000.000 0.00   
1:VAL_18:HB       1:VAL_18:HG**        2.783  4.174 4.174     30.000     30.000  1000.000 0.00   
1:CYSH_19:HB1     1:CYSH_19:HB2        1.700  2.047 2.047     30.000     30.000  1000.000 0.00  
1:THR_24:HB       1:THR_24:HG*         1.700  2.489 2.489     30.000     30.000  1000.000 0.00   
1:CYSH_25:HB1     1:CYSH_25:HB2        1.700  2.375 2.375     30.000     30.000  1000.000 0.00   
1:GLN_26:HG2      1:GLN_26:HG1         1.780  6.000 6.000     30.000     30.000  1000.000 0.00    
1:VAL_27:HB       1:VAL_27:HG1*        1.700  2.467 2.467     30.000     30.000  1000.000 0.00   
1:VAL_27:HB       1:VAL_27:HG2*        1.700  2.469 2.469     30.000     30.000  1000.000 0.00   
1:PRO_30:HB1      1:PRO_30:HB2         1.700  2.021 2.021     30.000     30.000  1000.000 0.00   
1:PRO_30:HB1      1:PRO_30:HG1         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:PRO_30:HG1      1:PRO_30:HB2         2.110  3.165 3.165     30.000     30.000  1000.000 0.00  
1:PRO_30:HD1      1:PRO_30:HG2         1.963  2.945 2.945     30.000     30.000  1000.000 0.00   
1:PRO_30:HD1      1:PRO_30:HG1         2.045  3.067 3.067     30.000     30.000  1000.000 0.00   
1:TYR_31:HB1      1:TYR_31:HB2         1.700  1.825 1.825     30.000     30.000  1000.000 0.00   
1:TYR_32:HB1      1:TYR_32:HB2         1.700  2.276 2.276     30.000     30.000  1000.000 0.00   
1:SER_33:HB1      1:SER_33:HB2         1.700  2.188 2.188     30.000     30.000  1000.000 0.00   
1:CYSH_35:HB1     1:CYSH_35:HB2        1.700  2.113 2.113     30.000     30.000  1000.000 0.00   
1:LEUC_36:HB2     1:LEUC_36:HG         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:GLN_7:HB1       1:GLN_7:HB2          1.700  2.431 2.431     30.000     30.000  1000.000 0.00   
1:GLN_7:HG1       1:GLN_7:HG2          1.700  2.036 2.036     30.000     30.000  1000.000 0.00   
1:LEU_28:HN       1:VAL_27:HG2**       1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:LEU_28:HB1      1:LEU_28:HB2         1.700  1.732 1.732     30.000     30.000  1000.000 0.00   
1:LEU_28:HB2      1:LEU_28:HD1*        1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:CYSH_8:HB2      1:CYSH_8:HA          2.356  3.535 3.535     30.000     30.000  1000.000 0.00   
1:TYR_31:HE*      1:ILE_11:HD*         1.780  6.000 6.000     30.000     30.000  1000.000 0.00 
1:TYR_31:HE*      1:ILE_11:HB          2.999  4.499 4.499     30.000     30.000  1000.000 0.00   
1:THR_17:HN       1:VAL_18:HG**        4.927  6.000 6.000     30.000     30.000  1000.000 0.00   
1:ILE_11:HA       1:ILE_11:HD*         2.213  3.319 3.319     30.000     30.000  1000.000 0.00   
1:VAL_27:HB       1:PRO_30:HB2         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:CYSH_8:HN       1:GLN_7:HG2          1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:THR_24:HA       1:THR_24:HB          1.731  2.597 2.597     30.000     30.000  1000.000 0.00   
1:PRO_16:HA       1:PRO_16:HB1         1.700  2.423 2.423     30.000     30.000  1000.000 0.00   
1:SER_14:HA       1:SER_14:HB1         4.002  6.000 6.000     30.000     30.000  1000.000 0.00   
1:SER_14:HA       1:SER_14:HB2         1.792  2.688 2.688     30.000     30.000  1000.000 0.00   
1:ALA_20:HA       1:ALA_20:HB*         1.857  2.786 2.786     30.000     30.000  1000.000 0.00   
1:PRO_16:HA       1:PRO_16:HG1         1.943  2.914 2.914     30.000     30.000  1000.000 0.00   
1:THR_24:HA       1:THR_24:HG*         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:TYR_31:HA       1:ILE_11:HB          2.330  3.494 3.494     30.000     30.000  1000.000 0.00   
1:SER_33:HN       1:SER_33:HB2         2.497  3.746 3.746     30.000     30.000  1000.000 0.00   
1:LEU_28:HB1      1:LEU_28:HD1*        2.561  3.842 3.842     30.000     30.000  1000.000 0.00  
1:LEUC_36:HN      1:LEUC_36:HD**       3.984  5.976 5.976     30.000     30.000  1000.000 0.00   
1:GLN_34:HN       1:SER_33:HA          2.047  3.071 3.071     30.000     30.000  1000.000 0.00   
1:GLN_34:HN       1:GLN_34:HB*         1.802  2.703 2.703     30.000     30.000  1000.000 0.00   
1:GLN_34:HE21     1:GLN_34:HG*         1.975  2.962 2.962     30.000     30.000  1000.000 0.00   
1:GLN_34:HE21     1:GLN_34:HE22        1.700  2.011 2.011     30.000     30.000  1000.000 0.00   
1:TYR_31:HN       1:TYR_31:HB2         3.270  4.905 4.905     30.000     30.000  1000.000 0.00   
1:TYR_32:HN       1:TYR_31:HA          2.020  3.030 3.030     30.000     30.000  1000.000 0.00 
1:ASN_29:HD22     1:ASN_29:HB*         2.796  4.194 4.194     30.000     30.000  1000.000 0.00   
1:ASN_29:HN       1:ASN_29:HB*         2.318  3.476 3.476     30.000     30.000  1000.000 0.00   
1:ALA_5:HN        1:ALA_5:HB*          1.909  2.864 2.864     30.000     30.000  1000.000 0.00   
1:ALA_5:HN        1:ALA_5:HA           1.913  2.870 2.870     30.000     30.000  1000.000 0.00  
1:GLY_6:HN        1:ALA_5:HA           1.700  2.537 2.537     30.000     30.000  1000.000 0.00  
1:PRO_16:HD1      1:PRO_16:HG2         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:PRO_16:HD1      1:PRO_16:HD2         1.700  2.001 2.001     30.000     30.000  1000.000 0.00  
1:PRO_30:HD2      1:PRO_30:HG1         2.137  3.205 3.205     30.000     30.000  1000.000 0.00  
1:PRO_30:HD2      1:PRO_30:HG2         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:PRO_30:HA       1:PRO_30:HG2         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:TYR_31:HD*      1:TYR_31:HB2         1.884  2.826 2.826     30.000     30.000  1000.000 0.00  
1:ASN_29:HN       1:LEU_28:HB1         2.057  3.086 3.086     30.000     30.000  1000.000 0.00
1:GLN_26:HE21     1:GLN_26:HG2         2.356  3.534 3.534     30.000     30.000  1000.000 0.00  
1:GLN_26:HE22     1:GLN_26:HG1         2.945  4.418 4.418     30.000     30.000  1000.000 0.00    
1:GLY_6:HN        1:ALA_5:HB*          2.656  3.984 3.984     30.000     30.000  1000.000 0.00   
1:GLN_7:HE22      1:TYR_13:HB2         1.833  2.750 2.750     30.000     30.000  1000.000 0.00   
1:ALA_5:HA        1:ALA_5:HB*          1.700  2.380 2.380     30.000     30.000  1000.000 0.00   
1:GLN_7:HE22      1:GLN_7:HG2          2.483  3.724 3.724     30.000     30.000  1000.000 0.00   
1:GLN_7:HG1       1:GLN_7:HB2          1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:ILE_11:HG11     1:ILE_11:HB          1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:ILE_11:HB       1:ILE_11:HG2*        1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:PRO_16:HG2      1:PRO_16:HB2         1.700  1.780 1.780     30.000     30.000  1000.000 0.00  
1:SER_21:HA       1:SER_21:HB*         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:GLN_7:HA        1:GLN_7:HB1          2.821  4.232 4.232     30.000     30.000  1000.000 0.00   
1:GLN_7:HA        1:GLN_7:HG1          1.964  2.946 2.946     30.000     30.000  1000.000 0.00   
1:VAL_27:HG2**    1:VAL_27:HG1*        1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:LEU_28:HB2      1:LEU_28:HD2*        1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:LEU_28:HB1      1:LEU_28:HD2*        2.458  3.686 3.686     30.000     30.000  1000.000 0.00   
1:TYR_32:HD*      1:LEU_28:HD2*        2.189  3.284 3.284     30.000     30.000  1000.000 0.00   
1:LEUC_36:HG      1:LEUC_36:HD**       1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:GLY_6:HN        1:GLN_7:HN           1.780  6.000 6.000     30.000     30.000  1000.000 0.00 
1:GLN_34:HE21     1:LEUC_36:HD**       5.993  6.000 6.000     30.000     30.000  1000.000 0.00  
1:GLN_34:HE22     1:LEUC_36:HD**       4.741  6.000 6.000     30.000     30.000  1000.000 0.00   
1:SER_21:HN       1:THRN_1:HG*         2.561  3.841 3.841     30.000     30.000  1000.000 0.00   
1:TYR_13:HD*      1:THR_17:HG*         2.508  3.761 3.761     30.000     30.000  1000.000 0.00   
1:HIS_4:HD2       1:HIS_4:HB*          1.700  2.394 2.394     30.000     30.000  1000.000 0.00   
1:CYSH_35:HN      1:GLN_34:HG*         2.118  3.177 3.177     30.000     30.000  1000.000 0.00  
1:LEU_28:HN       1:ASN_29:HN          1.700  2.450 2.450     30.000     30.000  1000.000 0.00   
1:THR_17:HN       1:VAL_18:HB          2.240  3.360 3.360     30.000     30.000  1000.000 0.00   
1:SER_3:HN        1:SER_3:HB*          2.216  3.325 3.325     30.000     30.000  1000.000 0.00   
1:GLN_34:HN       1:SER_33:HB1         2.485  3.728 3.728     30.000     30.000  1000.000 0.00   
1:GLN_26:HE22     1:LEUC_36:HD**       3.624  5.436 5.436     30.000     30.000  1000.000 0.00   
1:GLN_26:HE22     1:LEUC_36:HB1        2.746  4.119 4.119     30.000     30.000  1000.000 0.00   
1:CYSH_19:HN      1:CYSH_19:HB2        1.824  2.736 2.736     30.000     30.000  1000.000 0.00    
1:CYSH_19:HN      1:VAL_18:HA          1.874  2.811 2.811     30.000     30.000  1000.000 0.00   
1:GLY_10:HN       1:GLY_9:HA1          2.098  3.147 3.147     30.000     30.000  1000.000 0.00   
1:LEUC_36:HB1     1:LEUC_36:HD**       1.780  6.000 6.000     30.000     30.000  1000.000 0.00  
1:ILE_11:HG11     1:ILE_11:HD*         1.727  2.591 2.591     30.000     30.000  1000.000 0.00   
1:GLN_2:HN        1:GLN_2:HA           3.693  5.540 5.540     30.000     30.000  1000.000 0.00 
1:PRO_30:HD1      1:ASN_29:HB*         1.780  6.000 6.000     30.000     30.000  1000.000 0.00  
1:PRO_30:HD2      1:ASN_29:HB*         1.773  2.659 2.659     30.000     30.000  1000.000 0.00  
1:PRO_30:HG1      1:PRO_30:HG2         1.700  2.059 2.059     30.000     30.000  1000.000 0.00  
1:PRO_30:HB1      1:PRO_30:HG2         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:PRO_30:HD1      1:PRO_30:HD2         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:TYR_31:HA       1:TYR_31:HB1         2.462  3.693 3.693     30.000     30.000  1000.000 0.00   
1:SER_3:HA        1:SER_3:HB*          1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:ILE_11:HB       1:ILE_11:HD*         1.780  6.000 6.000     30.000     30.000  1000.000 0.00  
1:ILE_11:HG12     1:ILE_11:HD*         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:ILE_11:HG2*     1:ILE_11:HD*         1.700  2.454 2.454     30.000     30.000  1000.000 0.00   
1:PRO_30:HB2      1:ILE_11:HD*         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:GLN_26:HN       1:GLN_26:HB1         1.780  6.000 6.000     30.000     30.000  1000.000 0.00  
1:THR_24:HN       1:LEUC_36:HN         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:THR_24:HN       1:THR_23:HB          4.215  6.000 6.000     30.000     30.000  1000.000 0.00   
1:THR_23:HB       1:THR_23:HG*         1.700  2.307 2.307     30.000     30.000  1000.000 0.00   
1:GLN_34:HA       1:LEUC_36:HD**       2.792  4.188 4.188     30.000     30.000  1000.000 0.00   
1:GLY_15:HA1      1:PRO_16:HD1         2.137  3.205 3.205     30.000     30.000  1000.000 0.00  
1:GLN_34:HN       1:GLN_34:HA          4.109  6.000 6.000     30.000     30.000  1000.000 0.00   
1:ASN_29:HN       1:ASN_29:HA          1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:LEU_28:HG       1:LEU_28:HD2*        1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:LEU_28:HG       1:LEU_28:HD1*        1.780  6.000 6.000     30.000     30.000  1000.000 0.00    
1:GLN_26:HN       1:GLN_26:HG1         2.179  3.268 3.268     30.000     30.000  1000.000 0.00  
1:GLN_26:HN       1:GLN_26:HG2         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:GLN_26:HG2      1:GLN_26:HB2         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:GLN_26:HN       1:CYSH_25:HA         1.729  2.594 2.594     30.000     30.000  1000.000 0.00   
1:CYSH_19:HN      1:CYSH_19:HB1        1.780  6.000 6.000     30.000     30.000  1000.000 0.00  
1:GLN_2:HE21      1:GLN_2:HA           1.732  2.597 2.597     30.000     30.000  1000.000 0.00   
1:GLN_26:HE22     1:GLN_26:HA          1.907  2.861 2.861     30.000     30.000  1000.000 0.00   
1:GLN_2:HN        1:THRN_1:HA          2.186  3.280 3.280     30.000     30.000  1000.000 0.00   
1:GLN_2:HN        1:THRN_1:HB          2.712  4.068 4.068     30.000     30.000  1000.000 0.00   
1:VAL_27:HN       1:GLN_26:HA          2.178  3.267 3.267     30.000     30.000  1000.000 0.00 
1:TYR_31:HN       1:TYR_31:HB1         1.780  6.000 6.000     30.000     30.000  1000.000 0.00  
1:TYR_32:HD*      1:GLN_34:HB*         2.302  3.452 3.452     30.000     30.000  1000.000 0.00   
1:GLN_7:HE22      1:GLN_7:HG1          2.286  3.430 3.430     30.000     30.000  1000.000 0.00 
1:TYR_32:HE*      1:GLN_34:HG*         2.454  3.682 3.682     30.000     30.000  1000.000 0.00    
1:GLN_7:HE21      1:TYR_13:HB1         2.918  4.376 4.376     30.000     30.000  1000.000 0.00   
1:GLN_34:HE22     1:GLN_34:HG*         2.220  3.330 3.330     30.000     30.000  1000.000 0.00   
1:TYR_31:HD*      1:PRO_30:HB2         2.492  3.737 3.737     30.000     30.000  1000.000 0.00   
1:GLN_26:HB1      1:GLN_26:HB2         1.700  2.334 2.334     30.000     30.000  1000.000 0.00  
1:GLN_26:HB1      1:LEUC_36:HD**       1.780  6.000 6.000     30.000     30.000  1000.000 0.00  
1:GLN_26:HB2      1:LEUC_36:HD**       2.478  3.717 3.717     30.000     30.000  1000.000 0.00  
1:ILE_11:HB       1:TYR_32:HA          2.759  4.138 4.138     30.000     30.000  1000.000 0.00  
1:TYR_13:HB2      1:ILE_11:HB          1.780  6.000 6.000     30.000     30.000  1000.000 0.00  
1:PRO_30:HA       1:ILE_11:HD*         1.780  6.000 6.000     30.000     30.000  1000.000 0.00  
1:LEUC_36:HB2     1:LEUC_36:HB1        1.700  1.969 1.969     30.000     30.000  1000.000 0.00  
1:LEUC_36:HB2     1:LEUC_36:HD**       1.780  6.000 6.000     30.000     30.000  1000.000 0.00 
1:GLN_7:HB2       1:GLN_7:HG2          2.537  3.806 3.806     30.000     30.000  1000.000 0.00   
1:GLN_34:HG*      1:GLN_34:HB*         1.826  2.738 2.738     30.000     30.000  1000.000 0.00   
1:GLN_26:HN       1:GLN_26:HA          2.320  3.479 3.479     30.000     30.000  1000.000 0.00   
1:THR_23:HN       1:GLY_22:HA1         2.251  3.376 3.376     30.000     30.000  1000.000 0.00   
1:THR_17:HN       1:THR_17:HB          1.861  2.791 2.791     30.000     30.000  1000.000 0.00  
1:TYR_13:HH       1:THR_17:HB          2.374  3.561 3.561     30.000     30.000  1000.000 0.00  
1:CYSH_19:HB1     1:CYSH_35:HB1        1.780  6.000 6.000     30.000     30.000  1000.000 0.00  
1:TYR_31:HA       1:TYR_31:HB2         2.630  3.945 3.945     30.000     30.000  1000.000 0.00   
1:PRO_16:HB1      1:PRO_16:HG2         1.780  6.000 6.000     30.000     30.000  1000.000 0.00   
1:ASN_29:HN       1:TYR_32:HD*         1.941  2.911 2.911     30.000     30.000  1000.000 0.00    
1:PRO_30:HA       1:ILE_11:HB          1.780  6.000 6.000     30.000     30.000  1000.000 0.00    
!
#mixing_times
8.000000E-02 1.200000E-01 1.600000E-01
!
#NMR_dihedral
1:THRN_1:C	1:GLN_2:N	1:GLN_2:CA	1:GLN_2:C	-117.000 -57.000 30.000 30.000  1000.000	
1:SER_3:C	1:HIS_4:N	1:HIS_4:CA	1:HIS_4:C	-151.000 -91.000 30.000 30.000  1000.000
1:HIS_4:C	1:ALA_5:N	1:ALA_5:CA	1:ALA_5:C	-113.000 -53.000 30.000 30.000  1000.000	
1:GLY_6:C	1:GLN_7:N	1:GLN_7:CA	1:GLN_7:C	-117.000 -57.000 30.000 30.000  1000.000
1:GLN_7:C	1:CYSH_8:N	1:CYSH_8:CA	1:CYSH_8:C	-150.000 -90.000 30.000 30.000  1000.000
1:GLY_10:C	1:ILE_11:N	1:ILE_11:CA	1:ILE_11:C	-111.000 -51.000 30.000 30.000  1000.000
1:GLY_12:C	1:TYR_13:N	1:TYR_13:CA	1:TYR_13:C	-117.000 -57.000 30.000 30.000  1000.000
1:TYR_13:C	1:SER_14:N	1:SER_14:CA	1:SER_14:C	-150.000 -90.000 30.000 30.000  1000.000
1:PRO_16:C	1:THR_17:N	1:THR_17:CA	1:THR_17:C	-150.000 -90.000 30.000 30.000  1000.000
1:THR_17:C	1:VAL_18:N	1:VAL_18:CA	1:VAL_18:C	-118.000 -58.000 30.000 30.000  1000.000
1:CYSH_19:C	1:ALA_20:N	1:ALA_20:CA	1:ALA_20:C	-110.000 -50.000 30.000 30.000  1000.000
1:ALA_20:C	1:SER_21:N	1:SER_21:CA	1:SER_21:C	-110.000 -50.000 30.000 30.000  1000.000
1:THR_23:C	1:THR_24:N	1:THR_24:CA	1:THR_24:C	-151.000 -91.000 30.000 30.000  1000.000
1:THR_24:C	1:CYSH_25:N	1:CYSH_25:CA	1:CYSH_25:C	-111.000 -51.000 30.000 30.000  1000.000
1:CYSH_25:C	1:GLN_26:N	1:GLN_26:CA	1:GLN_26:C	-150.000 -90.000 30.000 30.000  1000.000
1:GLN_26:C	1:VAL_27:N	1:VAL_27:CA	1:VAL_27:C	-136.000 -76.000 30.000 30.000  1000.000
1:VAL_27:C	1:LEU_28:N	1:LEU_28:CA	1:LEU_28:C	-151.000 -91.000 30.000 30.000  1000.000
1:LEU_28:C	1:ASN_29:N	1:ASN_29:CA	1:ASN_29:C	-114.000 -54.000 30.000 30.000  1000.000
1:TYR_31:C	1:TYR_32:N	1:TYR_32:CA	1:TYR_32:C	-117.000 -57.000 30.000 30.000  1000.000
1:TYR_32:C	1:SER_33:N	1:SER_33:CA	1:SER_33:C	-150.000 -90.000 30.000 30.000  1000.000
1:SER_33:C	1:GLN_34:N	1:GLN_34:CA	1:GLN_34:C	-111.000 -51.000 30.000 30.000  1000.000
1:CYSH_35:C	1:LEUC_36:N	1:LEUC_36:CA	1:LEUC_36:C	-150.000 -90.000 30.000 30.000  1000.000
1:GLN_7:HA	1:GLN_7:CA	1:GLN_7:CB	1:GLN_7:HB2	168.000	-168.000 30.000 30.000  1000.000
1:ILE_11:HA	1:ILE_11:CA	1:ILE_11:CB	1:ILE_11:HB	150.000	-150.000 30.000 30.000  1000.000
1:TYR_13:HA	1:TYR_13:CA	1:TYR_13:CB	1:TYR_13:HB1	149.000	-149.000 30.000 30.000  1000.000
1:CYSH_25:HA	1:CYSH_25:CA	1:CYSH_25:CB	1:CYSH_25:HB2	150.000	-150.000 30.000 30.000  1000.000
1:GLN_26:HA	1:GLN_26:CA	1:GLN_26:CB	1:GLN_26:HB2	162.000	-162.000 30.000 30.000  1000.000
1:VAL_27:HA	1:VAL_27:CA	1:VAL_27:CB	1:VAL_27:HB	154.000 -154.000 30.000 30.000  1000.000
1:LEU_28:HA	1:LEU_28:CA	1:LEU_28:CB	1:LEU_28:HB1	148.000	-148.000 30.000 30.000  1000.000
1:SER_33:HA	1:SER_33:CA	1:SER_33:CB	1:SER_33:HB2	155.000	-155.000 30.000 30.000  1000.000
1:CYSH_35:HA	1:CYSH_35:CA	1:CYSH_35:CB	1:CYSH_35:HB2	163.000	-163.000 30.000 30.000  1000.000
1:LEUC_36:HA	1:LEUC_36:CA	1:LEUC_36:CB	1:LEUC_36:HB1	155.000	-155.000 30.000 30.000  1000.000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   1          2H        THR   1  -3.638  -6.639  -7.966
    2   2H    THR   1          3H        THR   1  -3.622  -6.346  -9.600
    3   3H    THR   1          1H        THR   1  -2.485  -5.741  -8.587
    4    HA   THR   1           HA       THR   1  -3.869  -4.334  -7.447
    5    HB   THR   1           HB       THR   1  -4.436  -3.831 -10.396
    6    HG1  THR   1           HG1      THR   1  -2.343  -2.703 -10.088
    7   1HG2  THR   1          2HG2      THR   1  -5.493  -2.193  -8.799
    8   2HG2  THR   1          3HG2      THR   1  -3.900  -1.925  -8.065
    9   3HG2  THR   1          1HG2      THR   1  -4.193  -1.467  -9.748
   10    H    GLN   2           H        GLN   2  -6.085  -5.484 -10.129
   11    HA   GLN   2           HA       GLN   2  -8.406  -4.716  -8.550
   12   1HB   GLN   2          2HB       GLN   2  -8.289  -4.316 -10.969
   13   2HB   GLN   2          1HB       GLN   2  -8.139  -6.046 -11.277
   14   1HG   GLN   2          1HG       GLN   2 -10.429  -5.238 -11.696
   15   2HG   GLN   2          2HG       GLN   2 -10.423  -6.451 -10.430
   16   1HE2  GLN   2          2HE2      GLN   2 -11.559  -4.140  -7.951
   17   2HE2  GLN   2          1HE2      GLN   2 -10.743  -5.694  -8.138
   18    H    SER   3           H        SER   3  -7.212  -7.855  -9.851
   19    HA   SER   3           HA       SER   3  -9.094  -9.487  -8.324
   20   1HB   SER   3          1HB       SER   3  -7.609 -11.330  -9.252
   21   2HB   SER   3          2HB       SER   3  -8.417 -10.310 -10.454
   22    HG   SER   3           HG       SER   3  -6.112 -10.671 -10.858
   23    H    HIS   4           H        HIS   4  -5.576  -9.754  -8.386
   24    HA   HIS   4           HA       HIS   4  -5.261 -10.260  -5.524
   25   1HB   HIS   4          1HB       HIS   4  -3.609 -11.101  -7.080
   26   2HB   HIS   4          2HB       HIS   4  -3.235  -9.470  -7.653
   27    HD2  HIS   4           HD2      HIS   4  -2.309 -11.924  -4.848
   28    HE1  HIS   4           HE1      HIS   4  -0.549  -8.203  -3.834
   29    HE2  HIS   4           HE2      HIS   4  -0.602 -10.692  -3.267
   30    H    ALA   5           H        ALA   5  -5.921  -8.649  -4.123
   31    HA   ALA   5           HA       ALA   5  -6.036  -5.890  -4.678
   32   1HB   ALA   5          2HB       ALA   5  -7.394  -6.958  -2.958
   33   2HB   ALA   5          3HB       ALA   5  -5.942  -7.337  -2.001
   34   3HB   ALA   5          1HB       ALA   5  -6.439  -5.648  -2.235
   35    H    GLY   6           H        GLY   6  -4.782  -4.133  -4.246
   36   1HA   GLY   6          1HA       GLY   6  -1.874  -4.489  -3.924
   37   2HA   GLY   6          2HA       GLY   6  -2.719  -2.998  -4.266
   38    H    GLN   7           H        GLN   7  -3.991  -2.099  -2.335
   39    HA   GLN   7           HA       GLN   7  -2.091  -1.344  -0.410
   40   1HB   GLN   7          1HB       GLN   7  -3.737   0.133  -1.271
   41   2HB   GLN   7          2HB       GLN   7  -5.063  -0.842  -0.625
   42   1HG   GLN   7          2HG       GLN   7  -4.460  -0.337   1.665
   43   2HG   GLN   7          1HG       GLN   7  -2.981   0.487   1.169
   44   1HE2  GLN   7          2HE2      GLN   7  -6.031   2.791   1.720
   45   2HE2  GLN   7          1HE2      GLN   7  -5.547   1.379   2.678
   46    H    CYS   8           H        CYS   8  -1.364  -2.602   1.269
   47    HA   CYS   8           HA       CYS   8  -3.274  -3.464   3.392
   48   1HB   CYS   8          1HB       CYS   8  -1.268  -3.945   4.709
   49   2HB   CYS   8          2HB       CYS   8  -1.276  -4.791   3.165
   50    H    GLY   9           H        GLY   9  -0.753  -0.928   3.021
   51   1HA   GLY   9          2HA       GLY   9  -0.691   1.276   3.646
   52   2HA   GLY   9          1HA       GLY   9  -2.374   1.212   4.173
   53    H    GLY  10           H        GLY  10  -0.666   2.789   5.596
   54   1HA   GLY  10          1HA       GLY  10  -0.283   1.357   8.202
   55   2HA   GLY  10          2HA       GLY  10   0.998   2.331   7.517
   56    H    ILE  11           H        ILE  11   1.074   4.363   8.326
   57    HA   ILE  11           HA       ILE  11  -0.463   5.037  10.598
   58    HB   ILE  11           HB       ILE  11   1.393   6.856   9.063
   59   1HG1  ILE  11          2HG1      ILE  11   1.969   5.019  11.434
   60   2HG1  ILE  11          1HG1      ILE  11   2.464   4.686   9.774
   61   1HG2  ILE  11          2HG2      ILE  11  -0.035   8.103  10.694
   62   2HG2  ILE  11          3HG2      ILE  11   0.514   7.004  11.973
   63   3HG2  ILE  11          1HG2      ILE  11   1.648   8.100  11.161
   64   1HD1  ILE  11          2HD1      ILE  11   3.809   6.820   9.783
   65   2HD1  ILE  11          3HD1      ILE  11   3.480   6.957  11.527
   66   3HD1  ILE  11          1HD1      ILE  11   4.373   5.572  10.908
   67    H    GLY  12           H        GLY  12  -2.621   4.978   9.927
   68   1HA   GLY  12          1HA       GLY  12  -4.633   6.208   9.921
   69   2HA   GLY  12          2HA       GLY  12  -3.819   7.622   9.262
   70    H    TYR  13           H        TYR  13  -3.501   4.405   7.790
   71    HA   TYR  13           HA       TYR  13  -4.892   5.392   5.339
   72   1HB   TYR  13          1HB       TYR  13  -2.790   3.295   5.851
   73   2HB   TYR  13          2HB       TYR  13  -3.752   3.256   4.388
   74    HD1  TYR  13           HD2      TYR  13  -1.910   5.956   6.351
   75    HD2  TYR  13           HD1      TYR  13  -2.851   4.232   2.497
   76    HE1  TYR  13           HE2      TYR  13  -0.906   7.914   5.200
   77    HE2  TYR  13           HE1      TYR  13  -1.619   6.082   1.385
   78    HH   TYR  13           HH       TYR  13  -0.414   7.943   1.677
   79    H    SER  14           H        SER  14  -6.339   4.255   4.184
   80    HA   SER  14           HA       SER  14  -7.460   1.702   4.707
   81   1HB   SER  14          2HB       SER  14  -8.432   2.481   6.738
   82   2HB   SER  14          1HB       SER  14  -8.975   3.995   6.007
   83    HG   SER  14           HG       SER  14  -9.946   1.379   5.389
   84    H    GLY  15           H        GLY  15  -8.692   4.941   3.707
   85   1HA   GLY  15          2HA       GLY  15 -10.168   4.276   1.448
   86   2HA   GLY  15          1HA       GLY  15  -9.234   5.766   1.612
   87    HA   PRO  16           HA       PRO  16  -7.451   2.485  -1.431
   88   1HB   PRO  16          2HB       PRO  16  -8.625   2.873  -3.854
   89   2HB   PRO  16          1HB       PRO  16  -9.475   2.046  -2.522
   90   1HG   PRO  16          1HG       PRO  16  -9.646   5.002  -3.223
   91   2HG   PRO  16          2HG       PRO  16 -11.001   3.838  -3.109
   92   1HD   PRO  16          2HD       PRO  16 -10.352   5.371  -0.967
   93   2HD   PRO  16          1HD       PRO  16 -10.739   3.636  -0.740
   94    H    THR  17           H        THR  17  -5.730   4.140  -0.726
   95    HA   THR  17           HA       THR  17  -4.773   6.101  -2.723
   96    HB   THR  17           HB       THR  17  -2.803   6.273  -1.240
   97    HG1  THR  17           HG1      THR  17  -4.008   4.021  -0.034
   98   1HG2  THR  17          2HG2      THR  17  -4.847   7.581  -0.725
   99   2HG2  THR  17          3HG2      THR  17  -5.416   6.279   0.337
  100   3HG2  THR  17          1HG2      THR  17  -3.926   7.151   0.732
  101    H    VAL  18           H        VAL  18  -5.195   3.817  -4.076
  102    HA   VAL  18           HA       VAL  18  -3.302   1.791  -3.530
  103    HB   VAL  18           HB       VAL  18  -5.587   1.359  -3.853
  104   1HG1  VAL  18          2HG1      VAL  18  -6.111   2.941  -5.736
  105   2HG1  VAL  18          3HG1      VAL  18  -5.313   1.826  -6.855
  106   3HG1  VAL  18          1HG1      VAL  18  -6.739   1.306  -5.953
  107   1HG2  VAL  18          3HG2      VAL  18  -3.943  -0.455  -4.207
  108   2HG2  VAL  18          1HG2      VAL  18  -5.415  -0.683  -5.169
  109   3HG2  VAL  18          2HG2      VAL  18  -3.932  -0.113  -5.949
  110    H    CYS  19           H        CYS  19  -1.186   2.344  -4.057
  111    HA   CYS  19           HA       CYS  19  -0.287   1.994  -6.831
  112   1HB   CYS  19          1HB       CYS  19   1.273   2.888  -5.155
  113   2HB   CYS  19          2HB       CYS  19   1.116   1.402  -4.213
  114    H    ALA  20           H        ALA  20   0.595  -0.025  -7.631
  115    HA   ALA  20           HA       ALA  20  -1.184  -2.133  -7.721
  116   1HB   ALA  20          2HB       ALA  20   0.392  -1.448  -9.473
  117   2HB   ALA  20          3HB       ALA  20   1.753  -2.041  -8.505
  118   3HB   ALA  20          1HB       ALA  20   0.555  -3.174  -9.162
  119    H    SER  21           H        SER  21  -0.257  -4.449  -7.779
  120    HA   SER  21           HA       SER  21  -0.677  -5.739  -5.359
  121   1HB   SER  21          1HB       SER  21   0.616  -6.569  -7.972
  122   2HB   SER  21          2HB       SER  21   0.319  -7.731  -6.698
  123    HG   SER  21           HG       SER  21  -1.818  -7.362  -6.713
  124    H    GLY  22           H        GLY  22   0.741  -4.839  -3.689
  125   1HA   GLY  22          1HA       GLY  22   3.603  -5.397  -3.671
  126   2HA   GLY  22          2HA       GLY  22   2.619  -4.899  -2.301
  127    H    THR  23           H        THR  23   0.786  -7.011  -2.271
  128    HA   THR  23           HA       THR  23   0.310  -8.943  -1.358
  129    HB   THR  23           HB       THR  23   1.740  -9.833  -3.427
  130    HG1  THR  23           HG1      THR  23   0.899 -11.541  -1.323
  131   1HG2  THR  23          2HG2      THR  23   3.133 -11.184  -1.061
  132   2HG2  THR  23          3HG2      THR  23   3.217 -11.665  -2.756
  133   3HG2  THR  23          1HG2      THR  23   3.919 -10.121  -2.255
  134    H    THR  24           H        THR  24   3.731  -8.324  -0.720
  135    HA   THR  24           HA       THR  24   3.243  -8.630   2.213
  136    HB   THR  24           HB       THR  24   5.577  -8.537   2.584
  137    HG1  THR  24           HG1      THR  24   5.979  -8.146  -0.198
  138   1HG2  THR  24          2HG2      THR  24   4.687 -10.749   1.782
  139   2HG2  THR  24          3HG2      THR  24   5.255 -10.343   0.151
  140   3HG2  THR  24          1HG2      THR  24   6.418 -10.499   1.475
  141    H    CYS  25           H        CYS  25   4.538  -6.814   3.427
  142    HA   CYS  25           HA       CYS  25   3.211  -4.258   2.567
  143   1HB   CYS  25          1HB       CYS  25   1.947  -5.883   4.099
  144   2HB   CYS  25          2HB       CYS  25   3.163  -5.537   5.322
  145    H    GLN  26           H        GLN  26   5.282  -3.355   1.980
  146    HA   GLN  26           HA       GLN  26   7.134  -2.769   4.255
  147   1HB   GLN  26          1HB       GLN  26   7.967  -4.104   2.276
  148   2HB   GLN  26          2HB       GLN  26   7.944  -2.594   1.356
  149   1HG   GLN  26          2HG       GLN  26   9.345  -1.593   3.296
  150   2HG   GLN  26          1HG       GLN  26   9.463  -3.226   3.961
  151   1HE2  GLN  26          1HE2      GLN  26  11.560  -4.157   1.036
  152   2HE2  GLN  26          2HE2      GLN  26  10.016  -4.780   1.631
  153    H    VAL  27           H        VAL  27   7.496  -0.609   1.499
  154    HA   VAL  27           HA       VAL  27   5.730   1.428   2.408
  155    HB   VAL  27           HB       VAL  27   7.423   1.433   4.314
  156   1HG1  VAL  27          3HG2      VAL  27   9.450   1.071   2.900
  157   2HG1  VAL  27          1HG2      VAL  27   9.273   2.719   2.262
  158   3HG1  VAL  27          2HG2      VAL  27   9.584   2.466   3.979
  159   1HG2  VAL  27          2HG1      VAL  27   5.926   3.366   3.833
  160   2HG2  VAL  27          3HG1      VAL  27   7.483   3.824   4.528
  161   3HG2  VAL  27          1HG1      VAL  27   7.202   4.045   2.800
  162    H    LEU  28           H        LEU  28   5.542   3.163   1.003
  163    HA   LEU  28           HA       LEU  28   7.701   3.661  -1.048
  164   1HB   LEU  28          1HB       LEU  28   5.136   5.273  -0.989
  165   2HB   LEU  28          2HB       LEU  28   6.321   5.043  -2.251
  166    HG   LEU  28           HG       LEU  28   5.426   2.660  -2.505
  167   1HD1  LEU  28          3HD1      LEU  28   3.540   3.784  -0.395
  168   2HD1  LEU  28          1HD1      LEU  28   2.954   2.580  -1.562
  169   3HD1  LEU  28          2HD1      LEU  28   4.257   2.187  -0.455
  170   1HD2  LEU  28          2HD2      LEU  28   3.533   5.055  -2.839
  171   2HD2  LEU  28          3HD2      LEU  28   4.782   4.544  -3.991
  172   3HD2  LEU  28          1HD2      LEU  28   3.379   3.511  -3.692
  173    H    ASN  29           H        ASN  29   5.540   5.429   1.082
  174    HA   ASN  29           HA       ASN  29   7.658   7.279   2.050
  175   1HB   ASN  29          1HB       ASN  29   4.786   8.071   1.411
  176   2HB   ASN  29          2HB       ASN  29   6.085   9.143   1.937
  177   1HD2  ASN  29          1HD2      ASN  29   7.624   8.625  -1.470
  178   2HD2  ASN  29          2HD2      ASN  29   8.198   8.110   0.114
  179    HA   PRO  30           HA       PRO  30   7.144   5.715   6.003
  180   1HB   PRO  30          2HB       PRO  30   6.156   8.482   6.798
  181   2HB   PRO  30          1HB       PRO  30   7.154   7.352   7.761
  182   1HG   PRO  30          1HG       PRO  30   8.365   9.249   6.247
  183   2HG   PRO  30          2HG       PRO  30   8.998   7.581   6.236
  184   1HD   PRO  30          2HD       PRO  30   7.391   8.987   4.129
  185   2HD   PRO  30          1HD       PRO  30   8.644   7.727   3.959
  186    H    TYR  31           H        TYR  31   4.150   7.761   5.688
  187    HA   TYR  31           HA       TYR  31   2.633   6.069   7.424
  188   1HB   TYR  31          1HB       TYR  31   1.616   7.974   5.268
  189   2HB   TYR  31          2HB       TYR  31   0.681   7.208   6.562
  190    HD1  TYR  31           HD2      TYR  31   3.820   8.409   7.950
  191    HD2  TYR  31           HD1      TYR  31  -0.168   9.584   6.720
  192    HE1  TYR  31           HE2      TYR  31   3.893  10.333   9.491
  193    HE2  TYR  31           HE1      TYR  31  -0.085  11.477   8.315
  194    HH   TYR  31           HH       TYR  31   1.127  12.536   9.882
  195    H    TYR  32           H        TYR  32   3.162   5.814   3.942
  196    HA   TYR  32           HA       TYR  32   0.875   3.977   3.614
  197   1HB   TYR  32          2HB       TYR  32   1.169   5.945   2.112
  198   2HB   TYR  32          1HB       TYR  32   2.677   5.262   1.543
  199    HD1  TYR  32           HD1      TYR  32  -0.385   3.123   2.148
  200    HD2  TYR  32           HD2      TYR  32   1.834   5.409  -0.779
  201    HE1  TYR  32           HE1      TYR  32  -1.368   1.777   0.344
  202    HE2  TYR  32           HE2      TYR  32   0.770   4.072  -2.594
  203    HH   TYR  32           HH       TYR  32  -1.780   1.843  -1.952
  204    H    SER  33           H        SER  33   1.821   2.186   4.752
  205    HA   SER  33           HA       SER  33   4.314   1.117   4.295
  206   1HB   SER  33          1HB       SER  33   2.850   0.741   6.315
  207   2HB   SER  33          2HB       SER  33   1.895  -0.418   5.388
  208    HG   SER  33           HG       SER  33   4.506  -1.095   5.207
  209    H    GLN  34           H        GLN  34   3.753   1.111   1.620
  210    HA   GLN  34           HA       GLN  34   2.898  -1.680   0.842
  211   1HB   GLN  34          1HB       GLN  34   1.081  -0.032   1.054
  212   2HB   GLN  34          2HB       GLN  34   1.905   1.077  -0.028
  213   1HG   GLN  34          1HG       GLN  34   0.043  -0.068  -1.116
  214   2HG   GLN  34          2HG       GLN  34   1.550  -0.463  -1.904
  215   1HE2  GLN  34          2HE2      GLN  34   0.287  -3.757  -1.642
  216   2HE2  GLN  34          1HE2      GLN  34   1.003  -2.553  -2.742
  217    H    CYS  35           H        CYS  35   3.078  -2.119  -1.519
  218    HA   CYS  35           HA       CYS  35   4.003  -2.051  -3.615
  219   1HB   CYS  35          1HB       CYS  35   2.621  -0.260  -3.709
  220   2HB   CYS  35          2HB       CYS  35   3.622   0.767  -2.683
  221    H    LEU  36           H        LEU  36   5.828  -3.143  -3.731
  222    HA   LEU  36           HA       LEU  36   8.476  -1.966  -3.123
  223   1HB   LEU  36          1HB       LEU  36   8.019  -4.933  -3.358
  224   2HB   LEU  36          2HB       LEU  36   9.204  -4.019  -2.445
  225    HG   LEU  36           HG       LEU  36   7.195  -3.367  -0.883
  226   1HD1  LEU  36          1HD2      LEU  36   6.036  -5.782  -2.384
  227   2HD1  LEU  36          2HD2      LEU  36   5.469  -5.279  -0.787
  228   3HD1  LEU  36          3HD2      LEU  36   5.246  -4.214  -2.162
  229   1HD2  LEU  36          2HD1      LEU  36   9.057  -4.919  -0.296
  230   2HD2  LEU  36          3HD1      LEU  36   7.517  -5.431   0.419
  231   3HD2  LEU  36          1HD1      LEU  36   8.151  -6.268  -1.007
   
  No H/Q in entry =         231
  Start of MODEL    2
    1   1H    THR   1          1H        THR   1  -7.907  -6.987  -9.405
    2   2H    THR   1          2H        THR   1  -8.112  -5.379  -9.650
    3   3H    THR   1          3H        THR   1  -7.372  -6.279 -10.814
    4    HA   THR   1           HA       THR   1  -5.437  -6.515  -9.461
    5    HB   THR   1           HB       THR   1  -4.848  -4.140  -9.076
    6    HG1  THR   1           HG1      THR   1  -6.494  -2.590  -9.403
    7   1HG2  THR   1          2HG2      THR   1  -4.815  -4.982 -11.452
    8   2HG2  THR   1          3HG2      THR   1  -6.484  -4.392 -11.657
    9   3HG2  THR   1          1HG2      THR   1  -5.177  -3.259 -11.334
   10    H    GLN   2           H        GLN   2  -4.319  -6.258  -7.353
   11    HA   GLN   2           HA       GLN   2  -6.283  -6.749  -5.162
   12   1HB   GLN   2          2HB       GLN   2  -4.997  -8.618  -5.931
   13   2HB   GLN   2          1HB       GLN   2  -3.473  -7.754  -5.686
   14   1HG   GLN   2          1HG       GLN   2  -3.978  -9.394  -3.874
   15   2HG   GLN   2          2HG       GLN   2  -3.772  -7.754  -3.268
   16   1HE2  GLN   2          2HE2      GLN   2  -6.940  -7.905  -1.716
   17   2HE2  GLN   2          1HE2      GLN   2  -5.329  -7.200  -1.697
   18    H    SER   3           H        SER   3  -6.613  -4.976  -3.917
   19    HA   SER   3           HA       SER   3  -4.790  -2.942  -3.139
   20   1HB   SER   3          1HB       SER   3  -6.497  -2.355  -1.489
   21   2HB   SER   3          2HB       SER   3  -7.211  -2.702  -3.076
   22    HG   SER   3           HG       SER   3  -7.081  -4.506  -0.872
   23    H    HIS   4           H        HIS   4  -2.918  -4.106  -2.632
   24    HA   HIS   4           HA       HIS   4  -2.389  -4.545   0.197
   25   1HB   HIS   4          1HB       HIS   4  -3.469  -6.694  -0.589
   26   2HB   HIS   4          2HB       HIS   4  -2.131  -6.928  -1.687
   27    HD2  HIS   4           HD2      HIS   4  -3.216  -8.491   1.297
   28    HE1  HIS   4           HE1      HIS   4   0.917  -8.031   2.050
   29    HE2  HIS   4           HE2      HIS   4  -1.166  -9.293   2.744
   30    H    ALA   5           H        ALA   5  -1.144  -5.382  -3.010
   31    HA   ALA   5           HA       ALA   5   1.280  -3.664  -2.842
   32   1HB   ALA   5          3HB       ALA   5  -0.022  -5.173  -5.158
   33   2HB   ALA   5          1HB       ALA   5   1.485  -4.247  -5.253
   34   3HB   ALA   5          2HB       ALA   5   1.406  -5.690  -4.249
   35    H    GLY   6           H        GLY   6   1.096  -1.460  -3.283
   36   1HA   GLY   6          1HA       GLY   6   0.091   0.577  -3.927
   37   2HA   GLY   6          2HA       GLY   6  -1.320  -0.257  -4.560
   38    H    GLN   7           H        GLN   7   0.309   0.812  -1.661
   39    HA   GLN   7           HA       GLN   7  -0.197   0.602   0.549
   40   1HB   GLN   7          1HB       GLN   7  -0.439   2.888  -0.411
   41   2HB   GLN   7          2HB       GLN   7  -2.165   2.745  -0.274
   42   1HG   GLN   7          1HG       GLN   7  -0.278   2.344   2.111
   43   2HG   GLN   7          2HG       GLN   7  -0.788   3.942   1.582
   44   1HE2  GLN   7          2HE2      GLN   7  -4.267   2.483   2.675
   45   2HE2  GLN   7          1HE2      GLN   7  -3.590   2.148   1.096
   46    H    CYS   8           H        CYS   8  -0.985  -1.392   1.078
   47    HA   CYS   8           HA       CYS   8  -3.506  -2.425   1.427
   48   1HB   CYS   8          1HB       CYS   8  -2.521  -3.394   3.589
   49   2HB   CYS   8          2HB       CYS   8  -1.643  -3.663   2.092
   50    H    GLY   9           H        GLY   9  -2.154  -0.514   4.172
   51   1HA   GLY   9          1HA       GLY   9  -4.267   1.263   4.665
   52   2HA   GLY   9          2HA       GLY   9  -4.728  -0.245   5.450
   53    H    GLY  10           H        GLY  10  -2.198   2.241   5.319
   54   1HA   GLY  10          1HA       GLY  10  -1.057   1.466   7.981
   55   2HA   GLY  10          2HA       GLY  10  -0.325   2.506   6.770
   56    H    ILE  11           H        ILE  11  -0.248   4.611   7.462
   57    HA   ILE  11           HA       ILE  11  -2.210   5.528   9.547
   58    HB   ILE  11           HB       ILE  11   0.564   6.564   9.011
   59   1HG1  ILE  11          2HG1      ILE  11  -0.548   4.783  11.244
   60   2HG1  ILE  11          1HG1      ILE  11   0.512   4.228   9.950
   61   1HG2  ILE  11          2HG2      ILE  11  -0.942   8.303   9.900
   62   2HG2  ILE  11          3HG2      ILE  11  -1.408   7.223  11.231
   63   3HG2  ILE  11          1HG2      ILE  11   0.255   7.836  11.089
   64   1HD1  ILE  11          2HD1      ILE  11   2.314   5.752  10.766
   65   2HD1  ILE  11          3HD1      ILE  11   1.288   6.162  12.161
   66   3HD1  ILE  11          1HD1      ILE  11   1.834   4.502  11.923
   67    H    GLY  12           H        GLY  12  -3.695   6.941   9.017
   68   1HA   GLY  12          2HA       GLY  12  -4.747   8.803   8.054
   69   2HA   GLY  12          1HA       GLY  12  -3.345   9.114   7.039
   70    H    TYR  13           H        TYR  13  -4.913   5.954   7.172
   71    HA   TYR  13           HA       TYR  13  -6.554   6.294   4.784
   72   1HB   TYR  13          1HB       TYR  13  -3.771   5.466   4.549
   73   2HB   TYR  13          2HB       TYR  13  -4.741   4.061   4.251
   74    HD1  TYR  13           HD1      TYR  13  -6.318   3.998   2.293
   75    HD2  TYR  13           HD2      TYR  13  -3.720   7.363   3.022
   76    HE1  TYR  13           HE1      TYR  13  -6.863   4.903   0.044
   77    HE2  TYR  13           HE2      TYR  13  -4.148   8.178   0.701
   78    HH   TYR  13           HH       TYR  13  -6.420   6.510  -1.479
   79    H    SER  14           H        SER  14  -7.252   3.968   4.064
   80    HA   SER  14           HA       SER  14  -7.281   1.711   5.653
   81   1HB   SER  14          2HB       SER  14  -8.465   2.733   7.472
   82   2HB   SER  14          1HB       SER  14  -9.658   3.462   6.390
   83    HG   SER  14           HG       SER  14  -9.269   0.662   6.819
   84    H    GLY  15           H        GLY  15  -9.645   3.616   3.739
   85   1HA   GLY  15          1HA       GLY  15 -10.739   1.478   2.222
   86   2HA   GLY  15          2HA       GLY  15 -10.658   3.162   1.702
   87    HA   PRO  16           HA       PRO  16  -7.379   0.190  -0.282
   88   1HB   PRO  16          2HB       PRO  16  -8.596  -0.873  -2.525
   89   2HB   PRO  16          1HB       PRO  16  -8.790  -1.565  -0.891
   90   1HG   PRO  16          1HG       PRO  16 -10.611   0.419  -2.292
   91   2HG   PRO  16          2HG       PRO  16 -11.068  -1.151  -1.569
   92   1HD   PRO  16          2HD       PRO  16 -11.361   1.147  -0.173
   93   2HD   PRO  16          1HD       PRO  16 -10.719  -0.308   0.653
   94    H    THR  17           H        THR  17  -5.854   0.949  -1.732
   95    HA   THR  17           HA       THR  17  -6.639   2.688  -4.029
   96    HB   THR  17           HB       THR  17  -6.190   4.217  -2.254
   97    HG1  THR  17           HG1      THR  17  -4.291   5.229  -3.367
   98   1HG2  THR  17          3HG2      THR  17  -4.587   2.860  -0.892
   99   2HG2  THR  17          1HG2      THR  17  -3.339   3.141  -2.123
  100   3HG2  THR  17          2HG2      THR  17  -4.006   4.501  -1.216
  101    H    VAL  18           H        VAL  18  -6.325   0.686  -5.059
  102    HA   VAL  18           HA       VAL  18  -3.857  -0.757  -4.832
  103    HB   VAL  18           HB       VAL  18  -6.125  -1.722  -4.933
  104   1HG1  VAL  18          2HG1      VAL  18  -7.058  -0.285  -6.806
  105   2HG1  VAL  18          3HG1      VAL  18  -6.063  -1.204  -7.942
  106   3HG1  VAL  18          1HG1      VAL  18  -7.332  -2.019  -7.007
  107   1HG2  VAL  18          3HG2      VAL  18  -4.044  -3.034  -5.445
  108   2HG2  VAL  18          1HG2      VAL  18  -5.555  -3.649  -6.169
  109   3HG2  VAL  18          2HG2      VAL  18  -4.370  -2.813  -7.170
  110    H    CYS  19           H        CYS  19  -2.318  -1.405  -6.331
  111    HA   CYS  19           HA       CYS  19  -2.175   0.058  -8.958
  112   1HB   CYS  19          1HB       CYS  19   0.126  -0.522  -9.064
  113   2HB   CYS  19          2HB       CYS  19  -0.220   0.311  -7.558
  114    H    ALA  20           H        ALA  20  -0.331  -2.504  -9.630
  115    HA   ALA  20           HA       ALA  20  -2.419  -3.849 -11.220
  116   1HB   ALA  20          2HB       ALA  20  -0.320  -3.233 -12.276
  117   2HB   ALA  20          3HB       ALA  20   0.600  -4.202 -11.114
  118   3HB   ALA  20          1HB       ALA  20  -0.505  -4.994 -12.258
  119    H    SER  21           H        SER  21   0.213  -5.193  -9.198
  120    HA   SER  21           HA       SER  21  -1.298  -6.718  -7.403
  121   1HB   SER  21          1HB       SER  21  -1.829  -8.078  -9.531
  122   2HB   SER  21          2HB       SER  21  -0.104  -8.474  -9.601
  123    HG   SER  21           HG       SER  21  -1.187 -10.083  -8.407
  124    H    GLY  22           H        GLY  22   0.243  -8.709  -6.673
  125   1HA   GLY  22          2HA       GLY  22   2.844  -9.014  -6.430
  126   2HA   GLY  22          1HA       GLY  22   2.790  -7.394  -5.744
  127    H    THR  23           H        THR  23   0.261  -7.806  -4.395
  128    HA   THR  23           HA       THR  23  -0.316  -7.948  -2.240
  129    HB   THR  23           HB       THR  23  -1.070 -10.137  -2.759
  130    HG1  THR  23           HG1      THR  23   0.219 -10.098  -0.259
  131   1HG2  THR  23          3HG2      THR  23   1.662 -11.192  -1.879
  132   2HG2  THR  23          1HG2      THR  23   0.183 -12.161  -2.049
  133   3HG2  THR  23          2HG2      THR  23   0.893 -11.390  -3.468
  134    H    THR  24           H        THR  24   1.761  -6.506  -2.421
  135    HA   THR  24           HA       THR  24   3.726  -7.169  -0.292
  136    HB   THR  24           HB       THR  24   5.107  -5.508  -1.497
  137    HG1  THR  24           HG1      THR  24   4.113  -5.330  -3.817
  138   1HG2  THR  24          2HG2      THR  24   5.239  -7.973  -1.950
  139   2HG2  THR  24          3HG2      THR  24   4.113  -7.748  -3.297
  140   3HG2  THR  24          1HG2      THR  24   5.696  -6.981  -3.344
  141    H    CYS  25           H        CYS  25   1.824  -6.410   1.163
  142    HA   CYS  25           HA       CYS  25   1.726  -3.595   1.833
  143   1HB   CYS  25          1HB       CYS  25   0.098  -5.284   2.602
  144   2HB   CYS  25          2HB       CYS  25   1.330  -6.020   3.625
  145    H    GLN  26           H        GLN  26   4.066  -3.295   1.309
  146    HA   GLN  26           HA       GLN  26   6.063  -3.999   3.355
  147   1HB   GLN  26          1HB       GLN  26   6.143  -3.715   0.578
  148   2HB   GLN  26          2HB       GLN  26   6.768  -2.165   1.101
  149   1HG   GLN  26          2HG       GLN  26   8.650  -3.565   0.828
  150   2HG   GLN  26          1HG       GLN  26   8.439  -3.527   2.577
  151   1HE2  GLN  26          2HE2      GLN  26   6.952  -7.052   1.851
  152   2HE2  GLN  26          1HE2      GLN  26   5.998  -5.573   2.029
  153    H    VAL  27           H        VAL  27   7.745  -1.725   3.250
  154    HA   VAL  27           HA       VAL  27   6.176   0.586   4.138
  155    HB   VAL  27           HB       VAL  27   6.432  -0.675   6.200
  156   1HG1  VAL  27          3HG2      VAL  27   8.608  -1.824   5.722
  157   2HG1  VAL  27          1HG2      VAL  27   9.452  -0.281   5.979
  158   3HG1  VAL  27          2HG2      VAL  27   8.540  -1.031   7.301
  159   1HG2  VAL  27          2HG1      VAL  27   6.323   1.794   6.261
  160   2HG2  VAL  27          3HG1      VAL  27   7.306   1.154   7.583
  161   3HG2  VAL  27          1HG1      VAL  27   8.094   1.889   6.182
  162    H    LEU  28           H        LEU  28   7.004   2.437   3.497
  163    HA   LEU  28           HA       LEU  28   9.876   2.629   2.519
  164   1HB   LEU  28          1HB       LEU  28   7.367   4.169   1.747
  165   2HB   LEU  28          2HB       LEU  28   9.003   4.725   1.395
  166    HG   LEU  28           HG       LEU  28   9.455   2.686   0.068
  167   1HD1  LEU  28          1HD2      LEU  28   6.503   2.092   0.580
  168   2HD1  LEU  28          2HD2      LEU  28   7.443   1.376  -0.747
  169   3HD1  LEU  28          3HD2      LEU  28   7.892   1.033   0.915
  170   1HD2  LEU  28          1HD1      LEU  28   7.038   4.371  -0.724
  171   2HD2  LEU  28          2HD1      LEU  28   8.742   4.788  -0.980
  172   3HD2  LEU  28          3HD1      LEU  28   8.036   3.424  -1.851
  173    H    ASN  29           H        ASN  29   7.402   4.703   3.956
  174    HA   ASN  29           HA       ASN  29   9.236   5.468   6.154
  175   1HB   ASN  29          1HB       ASN  29   8.334   7.738   6.236
  176   2HB   ASN  29          2HB       ASN  29   9.032   7.438   4.658
  177   1HD2  ASN  29          1HD2      ASN  29   5.940   8.035   3.022
  178   2HD2  ASN  29          2HD2      ASN  29   7.676   7.770   2.850
  179    HA   PRO  30           HA       PRO  30   6.550   3.792   9.005
  180   1HB   PRO  30          2HB       PRO  30   5.843   6.509  10.165
  181   2HB   PRO  30          1HB       PRO  30   6.236   4.996  11.032
  182   1HG   PRO  30          2HG       PRO  30   8.178   6.842  10.679
  183   2HG   PRO  30          1HG       PRO  30   8.548   5.132  10.310
  184   1HD   PRO  30          2HD       PRO  30   7.776   7.341   8.387
  185   2HD   PRO  30          1HD       PRO  30   9.120   6.168   8.253
  186    H    TYR  31           H        TYR  31   4.834   6.562   7.504
  187    HA   TYR  31           HA       TYR  31   2.190   5.551   8.132
  188   1HB   TYR  31          1HB       TYR  31   3.148   7.598   6.079
  189   2HB   TYR  31          2HB       TYR  31   1.461   7.255   6.455
  190    HD1  TYR  31           HD2      TYR  31   3.418   7.396   9.549
  191    HD2  TYR  31           HD1      TYR  31   1.466   9.774   6.502
  192    HE1  TYR  31           HE2      TYR  31   3.231   9.294  11.127
  193    HE2  TYR  31           HE1      TYR  31   1.326  11.676   8.096
  194    HH   TYR  31           HH       TYR  31   1.772  12.398  10.170
  195    H    TYR  32           H        TYR  32   4.420   4.697   5.653
  196    HA   TYR  32           HA       TYR  32   2.309   4.524   3.576
  197   1HB   TYR  32          2HB       TYR  32   4.076   6.436   3.831
  198   2HB   TYR  32          1HB       TYR  32   5.226   5.289   3.185
  199    HD1  TYR  32           HD2      TYR  32   4.738   4.268   0.817
  200    HD2  TYR  32           HD1      TYR  32   2.595   7.656   2.454
  201    HE1  TYR  32           HE2      TYR  32   4.033   4.951  -1.468
  202    HE2  TYR  32           HE1      TYR  32   2.051   8.412   0.143
  203    HH   TYR  32           HH       TYR  32   2.879   6.449  -2.705
  204    H    SER  33           H        SER  33   2.095   2.847   2.272
  205    HA   SER  33           HA       SER  33   4.449   1.181   1.494
  206   1HB   SER  33          1HB       SER  33   3.007  -0.253   2.831
  207   2HB   SER  33          2HB       SER  33   1.630   0.109   1.785
  208    HG   SER  33           HG       SER  33   2.715  -1.804   1.015
  209    H    GLN  34           H        GLN  34   4.621   0.683  -0.665
  210    HA   GLN  34           HA       GLN  34   3.118   2.495  -2.526
  211   1HB   GLN  34          1HB       GLN  34   5.642   2.802  -1.887
  212   2HB   GLN  34          2HB       GLN  34   5.946   1.506  -3.019
  213   1HG   GLN  34          1HG       GLN  34   4.168   3.697  -4.068
  214   2HG   GLN  34          2HG       GLN  34   5.735   4.275  -3.531
  215   1HE2  GLN  34          2HE2      GLN  34   7.468   2.819  -6.257
  216   2HE2  GLN  34          1HE2      GLN  34   7.683   3.525  -4.652
  217    H    CYS  35           H        CYS  35   4.567   1.018  -4.822
  218    HA   CYS  35           HA       CYS  35   2.975  -1.517  -4.921
  219   1HB   CYS  35          1HB       CYS  35   2.328   0.350  -6.527
  220   2HB   CYS  35          2HB       CYS  35   3.926   0.185  -7.242
  221    H    LEU  36           H        LEU  36   4.421  -3.085  -4.301
  222    HA   LEU  36           HA       LEU  36   7.115  -3.263  -5.587
  223   1HB   LEU  36          1HB       LEU  36   6.304  -4.460  -2.927
  224   2HB   LEU  36          2HB       LEU  36   7.886  -4.437  -3.657
  225    HG   LEU  36           HG       LEU  36   7.933  -2.961  -1.849
  226   1HD1  LEU  36          1HD1      LEU  36   9.056  -2.148  -3.914
  227   2HD1  LEU  36          2HD1      LEU  36   7.631  -1.160  -4.285
  228   3HD1  LEU  36          3HD1      LEU  36   8.578  -0.835  -2.824
  229   1HD2  LEU  36          3HD2      LEU  36   5.466  -2.630  -1.574
  230   2HD2  LEU  36          1HD2      LEU  36   6.439  -1.171  -1.326
  231   3HD2  LEU  36          2HD2      LEU  36   5.528  -1.368  -2.812
   
  No H/Q in entry =         231
  Start of MODEL    3
    1   1H    THR   1          1H        THR   1  -5.208  -3.267  -6.318
    2   2H    THR   1          2H        THR   1  -3.878  -4.198  -6.619
    3   3H    THR   1          3H        THR   1  -4.318  -3.088  -7.684
    4    HA   THR   1           HA       THR   1  -6.335  -4.269  -8.274
    5    HB   THR   1           HB       THR   1  -5.370  -6.384  -9.207
    6    HG1  THR   1           HG1      THR   1  -3.329  -6.939  -8.571
    7   1HG2  THR   1          3HG2      THR   1  -3.761  -3.826  -9.553
    8   2HG2  THR   1          1HG2      THR   1  -3.518  -5.297 -10.519
    9   3HG2  THR   1          2HG2      THR   1  -5.067  -4.435 -10.570
   10    H    GLN   2           H        GLN   2  -4.940  -7.238  -7.019
   11    HA   GLN   2           HA       GLN   2  -7.338  -8.490  -7.019
   12   1HB   GLN   2          1HB       GLN   2  -4.729  -9.155  -5.684
   13   2HB   GLN   2          2HB       GLN   2  -6.113 -10.214  -5.428
   14   1HG   GLN   2          1HG       GLN   2  -4.637 -10.941  -7.288
   15   2HG   GLN   2          2HG       GLN   2  -6.333 -10.768  -7.709
   16   1HE2  GLN   2          2HE2      GLN   2  -5.561  -8.645 -10.400
   17   2HE2  GLN   2          1HE2      GLN   2  -6.775  -9.621  -9.575
   18    H    SER   3           H        SER   3  -6.011  -8.445  -3.713
   19    HA   SER   3           HA       SER   3  -8.770  -8.104  -2.615
   20   1HB   SER   3          1HB       SER   3  -6.183  -8.819  -1.156
   21   2HB   SER   3          2HB       SER   3  -7.827  -8.787  -0.487
   22    HG   SER   3           HG       SER   3  -7.335 -10.900  -1.138
   23    H    HIS   4           H        HIS   4  -5.701  -6.867  -1.324
   24    HA   HIS   4           HA       HIS   4  -6.306  -4.188  -2.365
   25   1HB   HIS   4          1HB       HIS   4  -6.906  -4.282   0.140
   26   2HB   HIS   4          2HB       HIS   4  -5.178  -4.441   0.451
   27    HD2  HIS   4           HD2      HIS   4  -6.217  -1.936   1.786
   28    HE1  HIS   4           HE1      HIS   4  -5.538   0.315  -1.730
   29    HE2  HIS   4           HE2      HIS   4  -6.092   0.471   0.753
   30    H    ALA   5           H        ALA   5  -4.824  -6.267  -3.430
   31    HA   ALA   5           HA       ALA   5  -2.069  -6.319  -2.793
   32   1HB   ALA   5          2HB       ALA   5  -3.175  -8.091  -4.076
   33   2HB   ALA   5          3HB       ALA   5  -3.411  -6.974  -5.441
   34   3HB   ALA   5          1HB       ALA   5  -1.779  -7.456  -4.956
   35    H    GLY   6           H        GLY   6  -0.554  -4.812  -3.037
   36   1HA   GLY   6          1HA       GLY   6   0.605  -3.028  -4.372
   37   2HA   GLY   6          2HA       GLY   6  -1.019  -2.418  -4.758
   38    H    GLN   7           H        GLN   7  -1.035  -0.504  -3.641
   39    HA   GLN   7           HA       GLN   7   0.122   0.024  -1.099
   40   1HB   GLN   7          1HB       GLN   7  -0.328   1.616  -2.995
   41   2HB   GLN   7          2HB       GLN   7  -2.018   1.640  -2.473
   42   1HG   GLN   7          1HG       GLN   7  -1.208   2.435  -0.194
   43   2HG   GLN   7          2HG       GLN   7   0.440   2.386  -0.824
   44   1HE2  GLN   7          2HE2      GLN   7  -0.659   5.890  -0.996
   45   2HE2  GLN   7          1HE2      GLN   7  -0.573   4.738   0.345
   46    H    CYS   8           H        CYS   8  -0.716  -1.895  -0.104
   47    HA   CYS   8           HA       CYS   8  -3.100  -2.723   0.718
   48   1HB   CYS   8          1HB       CYS   8  -1.886  -3.774   2.660
   49   2HB   CYS   8          2HB       CYS   8  -1.038  -3.921   1.121
   50    H    GLY   9           H        GLY   9  -2.262   0.371   1.876
   51   1HA   GLY   9          1HA       GLY   9  -3.277   1.705   3.534
   52   2HA   GLY   9          2HA       GLY   9  -4.318   0.353   3.952
   53    H    GLY  10           H        GLY  10  -1.108   1.741   4.508
   54   1HA   GLY  10          1HA       GLY  10  -0.331  -0.074   6.665
   55   2HA   GLY  10          2HA       GLY  10   0.503   1.387   6.169
   56    H    ILE  11           H        ILE  11  -0.191   3.452   7.065
   57    HA   ILE  11           HA       ILE  11  -1.875   3.340   9.536
   58    HB   ILE  11           HB       ILE  11   0.727   4.895   9.307
   59   1HG1  ILE  11          2HG1      ILE  11   0.184   2.255  10.747
   60   2HG1  ILE  11          1HG1      ILE  11   1.264   2.500   9.367
   61   1HG2  ILE  11          2HG2      ILE  11  -1.063   5.832  10.832
   62   2HG2  ILE  11          3HG2      ILE  11  -1.063   4.292  11.708
   63   3HG2  ILE  11          1HG2      ILE  11   0.376   5.331  11.705
   64   1HD1  ILE  11          2HD1      ILE  11   2.679   4.020  10.754
   65   2HD1  ILE  11          3HD1      ILE  11   1.691   3.583  12.170
   66   3HD1  ILE  11          1HD1      ILE  11   2.619   2.343  11.322
   67    H    GLY  12           H        GLY  12  -3.409   4.911   9.632
   68   1HA   GLY  12          2HA       GLY  12  -4.668   6.775   9.112
   69   2HA   GLY  12          1HA       GLY  12  -3.299   7.498   8.276
   70    H    TYR  13           H        TYR  13  -2.755   6.001   6.202
   71    HA   TYR  13           HA       TYR  13  -4.936   6.076   4.303
   72   1HB   TYR  13          1HB       TYR  13  -2.037   5.342   4.332
   73   2HB   TYR  13          2HB       TYR  13  -2.970   4.395   3.216
   74    HD1  TYR  13           HD2      TYR  13  -4.921   6.065   1.960
   75    HD2  TYR  13           HD1      TYR  13  -0.864   7.047   3.113
   76    HE1  TYR  13           HE2      TYR  13  -4.553   7.210  -0.219
   77    HE2  TYR  13           HE1      TYR  13  -0.509   8.100   0.879
   78    HH   TYR  13           HH       TYR  13  -2.762   7.331  -1.726
   79    H    SER  14           H        SER  14  -6.385   4.544   3.689
   80    HA   SER  14           HA       SER  14  -6.016   1.671   4.394
   81   1HB   SER  14          1HB       SER  14  -8.456   3.191   5.382
   82   2HB   SER  14          2HB       SER  14  -8.118   1.460   5.555
   83    HG   SER  14           HG       SER  14  -6.003   2.447   6.536
   84    H    GLY  15           H        GLY  15  -8.367   3.904   2.821
   85   1HA   GLY  15          2HA       GLY  15  -9.775   1.936   1.378
   86   2HA   GLY  15          1HA       GLY  15  -9.707   3.659   0.988
   87    HA   PRO  16           HA       PRO  16  -8.160   0.927  -2.513
   88   1HB   PRO  16          2HB       PRO  16  -9.959   2.794  -4.061
   89   2HB   PRO  16          1HB       PRO  16  -9.726   1.043  -4.270
   90   1HG   PRO  16          2HG       PRO  16 -11.916   1.970  -2.990
   91   2HG   PRO  16          1HG       PRO  16 -11.016   0.609  -2.260
   92   1HD   PRO  16          2HD       PRO  16 -10.769   3.572  -1.598
   93   2HD   PRO  16          1HD       PRO  16 -11.053   2.205  -0.495
   94    H    THR  17           H        THR  17  -6.468   3.177  -1.611
   95    HA   THR  17           HA       THR  17  -5.664   4.871  -3.828
   96    HB   THR  17           HB       THR  17  -5.277   5.470  -1.503
   97    HG1  THR  17           HG1      THR  17  -2.796   5.087  -2.815
   98   1HG2  THR  17          3HG2      THR  17  -3.346   3.117  -1.400
   99   2HG2  THR  17          1HG2      THR  17  -3.386   4.424  -0.218
  100   3HG2  THR  17          2HG2      THR  17  -4.772   3.357  -0.403
  101    H    VAL  18           H        VAL  18  -5.782   2.277  -4.941
  102    HA   VAL  18           HA       VAL  18  -3.221   0.970  -4.435
  103    HB   VAL  18           HB       VAL  18  -5.499  -0.069  -4.096
  104   1HG1  VAL  18          3HG2      VAL  18  -6.506   0.523  -6.313
  105   2HG1  VAL  18          1HG2      VAL  18  -5.385  -0.609  -7.094
  106   3HG1  VAL  18          2HG2      VAL  18  -6.579  -1.207  -5.933
  107   1HG2  VAL  18          2HG1      VAL  18  -3.364  -1.312  -4.004
  108   2HG2  VAL  18          3HG1      VAL  18  -4.692  -2.290  -4.617
  109   3HG2  VAL  18          1HG1      VAL  18  -3.477  -1.633  -5.744
  110    H    CYS  19           H        CYS  19  -1.746   0.240  -5.808
  111    HA   CYS  19           HA       CYS  19  -1.535   1.273  -8.549
  112   1HB   CYS  19          1HB       CYS  19   0.706   0.412  -8.422
  113   2HB   CYS  19          2HB       CYS  19   0.358   1.125  -6.861
  114    H    ALA  20           H        ALA  20  -0.144  -0.888  -9.686
  115    HA   ALA  20           HA       ALA  20  -2.018  -2.796 -10.730
  116   1HB   ALA  20          2HB       ALA  20   0.032  -2.004 -11.879
  117   2HB   ALA  20          3HB       ALA  20   1.028  -2.828 -10.662
  118   3HB   ALA  20          1HB       ALA  20  -0.019  -3.760 -11.759
  119    H    SER  21           H        SER  21  -0.031  -5.103 -10.253
  120    HA   SER  21           HA       SER  21  -1.240  -6.056  -7.678
  121   1HB   SER  21          1HB       SER  21  -1.639  -7.336  -9.873
  122   2HB   SER  21          2HB       SER  21   0.059  -7.817  -9.773
  123    HG   SER  21           HG       SER  21  -2.013  -8.870  -8.439
  124    H    GLY  22           H        GLY  22   0.432  -8.124  -7.163
  125   1HA   GLY  22          1HA       GLY  22   2.944  -8.313  -6.684
  126   2HA   GLY  22          2HA       GLY  22   2.820  -6.726  -5.918
  127    H    THR  23           H        THR  23   1.046  -6.595  -4.230
  128    HA   THR  23           HA       THR  23  -0.066  -7.287  -2.320
  129    HB   THR  23           HB       THR  23   0.924 -10.148  -2.435
  130    HG1  THR  23           HG1      THR  23   0.089  -9.623  -4.444
  131   1HG2  THR  23          3HG2      THR  23  -1.687  -8.847  -1.500
  132   2HG2  THR  23          1HG2      THR  23  -1.310 -10.579  -1.444
  133   3HG2  THR  23          2HG2      THR  23  -0.399  -9.452  -0.438
  134    H    THR  24           H        THR  24   2.440  -6.106  -2.414
  135    HA   THR  24           HA       THR  24   4.117  -7.260  -0.267
  136    HB   THR  24           HB       THR  24   5.802  -5.695  -1.402
  137    HG1  THR  24           HG1      THR  24   4.978  -5.449  -3.721
  138   1HG2  THR  24          2HG2      THR  24   5.745  -8.151  -1.782
  139   2HG2  THR  24          3HG2      THR  24   4.568  -7.919  -3.088
  140   3HG2  THR  24          1HG2      THR  24   6.202  -7.266  -3.239
  141    H    CYS  25           H        CYS  25   2.889  -6.446   1.510
  142    HA   CYS  25           HA       CYS  25   2.584  -3.584   1.897
  143   1HB   CYS  25          1HB       CYS  25   1.209  -5.629   2.859
  144   2HB   CYS  25          2HB       CYS  25   2.387  -5.570   4.164
  145    H    GLN  26           H        GLN  26   3.750  -2.178   3.213
  146    HA   GLN  26           HA       GLN  26   6.577  -2.839   3.878
  147   1HB   GLN  26          1HB       GLN  26   6.456  -2.690   1.481
  148   2HB   GLN  26          2HB       GLN  26   5.413  -1.275   1.534
  149   1HG   GLN  26          2HG       GLN  26   7.543  -0.572   0.714
  150   2HG   GLN  26          1HG       GLN  26   7.306   0.141   2.275
  151   1HE2  GLN  26          2HE2      GLN  26   9.922  -2.814   2.878
  152   2HE2  GLN  26          1HE2      GLN  26   8.201  -3.184   2.693
  153    H    VAL  27           H        VAL  27   7.866  -0.777   4.340
  154    HA   VAL  27           HA       VAL  27   6.266   1.560   5.237
  155    HB   VAL  27           HB       VAL  27   6.761   0.394   7.269
  156   1HG1  VAL  27          3HG2      VAL  27   8.765  -0.946   6.583
  157   2HG1  VAL  27          1HG2      VAL  27   9.748   0.525   6.661
  158   3HG1  VAL  27          2HG2      VAL  27   8.978  -0.096   8.116
  159   1HG2  VAL  27          2HG1      VAL  27   6.914   2.900   7.168
  160   2HG2  VAL  27          3HG1      VAL  27   7.845   2.166   8.498
  161   3HG2  VAL  27          1HG1      VAL  27   8.681   2.751   7.044
  162    H    LEU  28           H        LEU  28   6.803   3.167   3.821
  163    HA   LEU  28           HA       LEU  28   9.697   3.659   3.143
  164   1HB   LEU  28          1HB       LEU  28   7.070   4.851   2.188
  165   2HB   LEU  28          2HB       LEU  28   8.591   5.719   2.002
  166    HG   LEU  28           HG       LEU  28   9.577   3.921   0.711
  167   1HD1  LEU  28          3HD1      LEU  28   6.914   2.487   1.072
  168   2HD1  LEU  28          1HD1      LEU  28   8.110   2.065  -0.170
  169   3HD1  LEU  28          2HD1      LEU  28   8.541   1.922   1.532
  170   1HD2  LEU  28          3HD2      LEU  28   8.349   5.703  -0.462
  171   2HD2  LEU  28          1HD2      LEU  28   8.196   4.164  -1.321
  172   3HD2  LEU  28          2HD2      LEU  28   6.846   4.766  -0.344
  173    H    ASN  29           H        ASN  29   7.526   6.305   3.884
  174    HA   ASN  29           HA       ASN  29   8.690   6.758   6.586
  175   1HB   ASN  29          1HB       ASN  29   7.152   8.683   6.669
  176   2HB   ASN  29          2HB       ASN  29   8.153   8.733   5.224
  177   1HD2  ASN  29          1HD2      ASN  29   4.228   8.791   4.678
  178   2HD2  ASN  29          2HD2      ASN  29   4.965   9.202   6.226
  179    HA   PRO  30           HA       PRO  30   5.777   4.108   8.767
  180   1HB   PRO  30          2HB       PRO  30   4.592   5.885  10.621
  181   2HB   PRO  30          1HB       PRO  30   6.120   4.994  10.818
  182   1HG   PRO  30          1HG       PRO  30   5.741   7.818   9.782
  183   2HG   PRO  30          2HG       PRO  30   6.901   7.247  11.014
  184   1HD   PRO  30          2HD       PRO  30   7.779   7.600   8.538
  185   2HD   PRO  30          1HD       PRO  30   8.186   6.060   9.329
  186    H    TYR  31           H        TYR  31   4.374   7.259   7.829
  187    HA   TYR  31           HA       TYR  31   1.708   6.095   7.433
  188   1HB   TYR  31          1HB       TYR  31   2.678   8.906   6.869
  189   2HB   TYR  31          2HB       TYR  31   1.011   8.351   6.925
  190    HD1  TYR  31           HD2      TYR  31  -0.032   7.604   9.105
  191    HD2  TYR  31           HD1      TYR  31   3.904   9.381   8.927
  192    HE1  TYR  31           HE2      TYR  31  -0.129   8.085  11.548
  193    HE2  TYR  31           HE1      TYR  31   3.807   9.819  11.381
  194    HH   TYR  31           HH       TYR  31   0.949   8.959  13.320
  195    H    TYR  32           H        TYR  32   4.102   5.333   5.490
  196    HA   TYR  32           HA       TYR  32   2.173   5.108   3.276
  197   1HB   TYR  32          1HB       TYR  32   3.745   7.176   3.013
  198   2HB   TYR  32          2HB       TYR  32   4.901   6.001   2.418
  199    HD1  TYR  32           HD2      TYR  32   3.343   4.173   0.704
  200    HD2  TYR  32           HD1      TYR  32   2.900   8.441   1.287
  201    HE1  TYR  32           HE2      TYR  32   2.513   4.430  -1.636
  202    HE2  TYR  32           HE1      TYR  32   2.077   8.660  -1.042
  203    HH   TYR  32           HH       TYR  32   1.612   7.600  -2.967
  204    H    SER  33           H        SER  33   1.913   3.036   3.549
  205    HA   SER  33           HA       SER  33   4.095   1.068   3.014
  206   1HB   SER  33          1HB       SER  33   2.501   0.623   4.866
  207   2HB   SER  33          2HB       SER  33   1.145   0.641   3.707
  208    HG   SER  33           HG       SER  33   2.349  -1.444   4.297
  209    H    GLN  34           H        GLN  34   4.436   0.480   0.931
  210    HA   GLN  34           HA       GLN  34   2.662   1.717  -1.110
  211   1HB   GLN  34          1HB       GLN  34   4.849   2.715  -0.524
  212   2HB   GLN  34          2HB       GLN  34   5.643   1.264  -1.096
  213   1HG   GLN  34          1HG       GLN  34   3.817   2.222  -3.184
  214   2HG   GLN  34          2HG       GLN  34   4.680   3.616  -2.563
  215   1HE2  GLN  34          2HE2      GLN  34   6.577   2.064  -5.385
  216   2HE2  GLN  34          1HE2      GLN  34   4.944   2.711  -5.254
  217    H    CYS  35           H        CYS  35   5.098  -0.030  -2.700
  218    HA   CYS  35           HA       CYS  35   3.338  -2.172  -3.689
  219   1HB   CYS  35          1HB       CYS  35   2.111  -0.209  -4.467
  220   2HB   CYS  35          2HB       CYS  35   3.576   0.482  -5.164
  221    H    LEU  36           H        LEU  36   5.067  -3.557  -3.690
  222    HA   LEU  36           HA       LEU  36   7.545  -2.895  -5.221
  223   1HB   LEU  36          1HB       LEU  36   7.396  -4.773  -2.845
  224   2HB   LEU  36          2HB       LEU  36   8.800  -4.080  -3.628
  225    HG   LEU  36           HG       LEU  36   8.660  -3.052  -1.559
  226   1HD1  LEU  36          2HD1      LEU  36   9.132  -1.456  -3.363
  227   2HD1  LEU  36          3HD1      LEU  36   7.430  -0.972  -3.388
  228   3HD1  LEU  36          1HD1      LEU  36   8.398  -0.696  -1.941
  229   1HD2  LEU  36          2HD2      LEU  36   5.653  -2.732  -1.882
  230   2HD2  LEU  36          3HD2      LEU  36   6.589  -3.603  -0.680
  231   3HD2  LEU  36          1HD2      LEU  36   6.592  -1.836  -0.724
   
  No H/Q in entry =         231
  Start of MODEL    4
    1   1H    THR   1          2H        THR   1  -3.516  -6.688 -14.198
    2   2H    THR   1          3H        THR   1  -2.500  -6.043 -13.081
    3   3H    THR   1          1H        THR   1  -1.881  -6.912 -14.332
    4    HA   THR   1           HA       THR   1  -2.805  -8.937 -13.407
    5    HB   THR   1           HB       THR   1  -1.586  -8.959 -11.179
    6    HG1  THR   1           HG1      THR   1  -0.502  -6.916 -10.706
    7   1HG2  THR   1          2HG2      THR   1  -0.261  -9.250 -13.305
    8   2HG2  THR   1          3HG2      THR   1   0.034  -7.495 -13.329
    9   3HG2  THR   1          1HG2      THR   1   0.644  -8.482 -11.998
   10    H    GLN   2           H        GLN   2  -4.042 -10.050 -11.648
   11    HA   GLN   2           HA       GLN   2  -6.362  -8.672 -10.619
   12   1HB   GLN   2          2HB       GLN   2  -6.480 -11.006 -11.055
   13   2HB   GLN   2          1HB       GLN   2  -5.058 -11.367 -10.071
   14   1HG   GLN   2          1HG       GLN   2  -7.189 -12.006  -8.970
   15   2HG   GLN   2          2HG       GLN   2  -6.248 -10.884  -8.004
   16   1HE2  GLN   2          2HE2      GLN   2  -9.043  -8.724  -7.819
   17   2HE2  GLN   2          1HE2      GLN   2  -7.520  -9.174  -7.071
   18    H    SER   3           H        SER   3  -6.239  -7.110  -9.058
   19    HA   SER   3           HA       SER   3  -3.954  -6.780  -7.332
   20   1HB   SER   3          1HB       SER   3  -5.374  -4.931  -8.229
   21   2HB   SER   3          2HB       SER   3  -6.598  -5.351  -7.009
   22    HG   SER   3           HG       SER   3  -4.806  -3.728  -6.431
   23    H    HIS   4           H        HIS   4  -3.482  -8.019  -5.647
   24    HA   HIS   4           HA       HIS   4  -5.571  -9.249  -3.908
   25   1HB   HIS   4          1HB       HIS   4  -3.862 -10.694  -4.795
   26   2HB   HIS   4          2HB       HIS   4  -2.574  -9.661  -4.193
   27    HD2  HIS   4           HD2      HIS   4  -4.885 -12.511  -2.982
   28    HE1  HIS   4           HE1      HIS   4  -2.541 -11.249   0.315
   29    HE2  HIS   4           HE2      HIS   4  -4.167 -13.029  -0.496
   30    H    ALA   5           H        ALA   5  -2.416  -7.770  -3.132
   31    HA   ALA   5           HA       ALA   5  -3.775  -5.601  -1.615
   32   1HB   ALA   5          2HB       ALA   5  -3.078  -7.327   0.047
   33   2HB   ALA   5          3HB       ALA   5  -1.389  -7.041  -0.423
   34   3HB   ALA   5          1HB       ALA   5  -2.341  -5.728   0.268
   35    H    GLY   6           H        GLY   6  -3.349  -4.028  -3.045
   36   1HA   GLY   6          1HA       GLY   6  -0.550  -3.189  -3.692
   37   2HA   GLY   6          2HA       GLY   6  -2.060  -2.393  -4.142
   38    H    GLN   7           H        GLN   7  -1.626  -0.337  -3.188
   39    HA   GLN   7           HA       GLN   7  -0.540   0.226  -0.684
   40   1HB   GLN   7          1HB       GLN   7  -0.814   1.822  -2.507
   41   2HB   GLN   7          2HB       GLN   7  -2.558   1.874  -2.207
   42   1HG   GLN   7          1HG       GLN   7  -2.044   2.712   0.151
   43   2HG   GLN   7          2HG       GLN   7  -0.339   2.702  -0.268
   44   1HE2  GLN   7          2HE2      GLN   7  -1.827   6.128  -0.758
   45   2HE2  GLN   7          1HE2      GLN   7  -1.823   5.041   0.633
   46    H    CYS   8           H        CYS   8  -1.431  -1.475   0.628
   47    HA   CYS   8           HA       CYS   8  -3.861  -1.469   2.052
   48   1HB   CYS   8          1HB       CYS   8  -2.459  -2.335   3.938
   49   2HB   CYS   8          2HB       CYS   8  -2.114  -3.137   2.405
   50    H    GLY   9           H        GLY   9  -1.072   0.690   2.472
   51   1HA   GLY   9          2HA       GLY   9  -1.040   2.779   3.499
   52   2HA   GLY   9          1HA       GLY   9  -2.531   2.472   4.365
   53    H    GLY  10           H        GLY  10  -0.169   3.486   5.550
   54   1HA   GLY  10          1HA       GLY  10   0.726   1.316   7.455
   55   2HA   GLY  10          2HA       GLY  10   1.723   2.681   6.978
   56    H    ILE  11           H        ILE  11   1.803   4.169   8.664
   57    HA   ILE  11           HA       ILE  11  -0.314   4.333  10.679
   58    HB   ILE  11           HB       ILE  11   1.972   6.266  10.232
   59   1HG1  ILE  11          2HG1      ILE  11   1.856   3.854  12.109
   60   2HG1  ILE  11          1HG1      ILE  11   2.792   3.926  10.611
   61   1HG2  ILE  11          2HG2      ILE  11   0.066   7.114  11.662
   62   2HG2  ILE  11          3HG2      ILE  11   0.231   5.681  12.687
   63   3HG2  ILE  11          1HG2      ILE  11   1.523   6.890  12.608
   64   1HD1  ILE  11          2HD1      ILE  11   4.058   5.893  11.522
   65   2HD1  ILE  11          3HD1      ILE  11   3.267   5.620  13.089
   66   3HD1  ILE  11          1HD1      ILE  11   4.307   4.372  12.401
   67    H    GLY  12           H        GLY  12  -2.060   5.685  10.741
   68   1HA   GLY  12          2HA       GLY  12  -3.535   7.386  10.301
   69   2HA   GLY  12          1HA       GLY  12  -2.186   8.290   9.628
   70    H    TYR  13           H        TYR  13  -2.717   5.454   7.781
   71    HA   TYR  13           HA       TYR  13  -4.480   6.877   5.813
   72   1HB   TYR  13          1HB       TYR  13  -1.790   6.896   5.585
   73   2HB   TYR  13          2HB       TYR  13  -2.080   5.347   4.837
   74    HD1  TYR  13           HD2      TYR  13  -4.711   6.024   3.320
   75    HD2  TYR  13           HD1      TYR  13  -1.046   8.268   3.832
   76    HE1  TYR  13           HE2      TYR  13  -4.857   6.845   0.991
   77    HE2  TYR  13           HE1      TYR  13  -1.152   8.945   1.433
   78    HH   TYR  13           HH       TYR  13  -3.537   7.485  -0.789
   79    H    SER  14           H        SER  14  -6.223   5.591   5.396
   80    HA   SER  14           HA       SER  14  -6.022   2.703   4.832
   81   1HB   SER  14          2HB       SER  14  -5.895   2.503   7.191
   82   2HB   SER  14          1HB       SER  14  -7.160   3.708   7.463
   83    HG   SER  14           HG       SER  14  -8.668   2.267   6.582
   84    H    GLY  15           H        GLY  15  -7.220   2.849   2.939
   85   1HA   GLY  15          2HA       GLY  15  -9.976   2.737   2.869
   86   2HA   GLY  15          1HA       GLY  15  -9.640   4.469   2.719
   87    HA   PRO  16           HA       PRO  16  -9.802   2.728  -1.623
   88   1HB   PRO  16          2HB       PRO  16 -11.238   5.370  -1.895
   89   2HB   PRO  16          1HB       PRO  16 -11.577   3.823  -2.716
   90   1HG   PRO  16          2HG       PRO  16 -13.095   4.586  -0.612
   91   2HG   PRO  16          1HG       PRO  16 -12.477   2.909  -0.633
   92   1HD   PRO  16          2HD       PRO  16 -11.264   5.318   0.786
   93   2HD   PRO  16          1HD       PRO  16 -11.685   3.725   1.470
   94    H    THR  17           H        THR  17  -7.404   3.226  -1.131
   95    HA   THR  17           HA       THR  17  -6.405   5.363  -3.027
   96    HB   THR  17           HB       THR  17  -6.023   5.946  -0.659
   97    HG1  THR  17           HG1      THR  17  -3.732   5.255  -2.179
   98   1HG2  THR  17          3HG2      THR  17  -4.395   3.346  -0.608
   99   2HG2  THR  17          1HG2      THR  17  -4.227   4.612   0.597
  100   3HG2  THR  17          2HG2      THR  17  -5.755   3.759   0.434
  101    H    VAL  18           H        VAL  18  -6.980   2.351  -3.293
  102    HA   VAL  18           HA       VAL  18  -4.506   1.013  -2.982
  103    HB   VAL  18           HB       VAL  18  -6.748   0.080  -2.555
  104   1HG1  VAL  18          2HG1      VAL  18  -7.899   0.707  -4.681
  105   2HG1  VAL  18          3HG1      VAL  18  -6.884  -0.455  -5.561
  106   3HG1  VAL  18          1HG1      VAL  18  -8.007  -1.022  -4.315
  107   1HG2  VAL  18          2HG2      VAL  18  -4.714  -1.322  -2.590
  108   2HG2  VAL  18          3HG2      VAL  18  -6.158  -2.202  -3.106
  109   3HG2  VAL  18          1HG2      VAL  18  -4.981  -1.668  -4.313
  110    H    CYS  19           H        CYS  19  -3.166  -0.013  -4.322
  111    HA   CYS  19           HA       CYS  19  -2.729   1.007  -7.063
  112   1HB   CYS  19          1HB       CYS  19  -0.951   1.107  -5.390
  113   2HB   CYS  19          2HB       CYS  19  -1.095  -0.616  -5.081
  114    H    ALA  20           H        ALA  20  -1.739  -0.721  -8.584
  115    HA   ALA  20           HA       ALA  20  -3.307  -3.091  -9.079
  116   1HB   ALA  20          2HB       ALA  20  -1.921  -1.944 -10.798
  117   2HB   ALA  20          3HB       ALA  20  -0.453  -2.375  -9.897
  118   3HB   ALA  20          1HB       ALA  20  -1.459  -3.648 -10.620
  119    H    SER  21           H        SER  21  -1.916  -5.310  -9.152
  120    HA   SER  21           HA       SER  21  -1.866  -6.040  -6.393
  121   1HB   SER  21          1HB       SER  21  -2.309  -7.457  -8.656
  122   2HB   SER  21          2HB       SER  21  -0.643  -7.953  -8.376
  123    HG   SER  21           HG       SER  21  -2.448  -9.162  -7.257
  124    H    GLY  22           H        GLY  22  -0.321  -6.935  -5.087
  125   1HA   GLY  22          1HA       GLY  22   2.542  -7.078  -5.802
  126   2HA   GLY  22          2HA       GLY  22   2.132  -5.920  -4.534
  127    H    THR  23           H        THR  23   0.316  -7.078  -3.023
  128    HA   THR  23           HA       THR  23  -0.142  -8.559  -1.338
  129    HB   THR  23           HB       THR  23   1.710 -10.592  -2.638
  130    HG1  THR  23           HG1      THR  23  -1.116 -10.433  -2.508
  131   1HG2  THR  23          3HG2      THR  23  -0.169 -10.774  -0.258
  132   2HG2  THR  23          1HG2      THR  23   0.151 -12.175  -1.303
  133   3HG2  THR  23          2HG2      THR  23   1.476 -11.418  -0.434
  134    H    THR  24           H        THR  24   1.887  -6.520  -1.462
  135    HA   THR  24           HA       THR  24   3.913  -7.273   0.609
  136    HB   THR  24           HB       THR  24   5.439  -5.828  -0.792
  137    HG1  THR  24           HG1      THR  24   4.538  -5.787  -3.071
  138   1HG2  THR  24          2HG2      THR  24   5.497  -8.308  -0.947
  139   2HG2  THR  24          3HG2      THR  24   4.257  -8.264  -2.204
  140   3HG2  THR  24          1HG2      THR  24   5.837  -7.549  -2.510
  141    H    CYS  25           H        CYS  25   2.286  -6.293   2.089
  142    HA   CYS  25           HA       CYS  25   2.017  -3.388   2.089
  143   1HB   CYS  25          1HB       CYS  25   0.323  -4.957   3.021
  144   2HB   CYS  25          2HB       CYS  25   1.446  -5.366   4.327
  145    H    GLN  26           H        GLN  26   4.497  -3.354   1.714
  146    HA   GLN  26           HA       GLN  26   5.835  -2.775   4.316
  147   1HB   GLN  26          1HB       GLN  26   7.601  -3.984   3.855
  148   2HB   GLN  26          2HB       GLN  26   6.671  -4.724   2.599
  149   1HG   GLN  26          2HG       GLN  26   8.672  -4.177   1.528
  150   2HG   GLN  26          1HG       GLN  26   7.594  -2.874   1.031
  151   1HE2  GLN  26          1HE2      GLN  26  10.230  -0.746   1.990
  152   2HE2  GLN  26          2HE2      GLN  26   9.505  -1.515   0.575
  153    H    VAL  27           H        VAL  27   7.714  -1.224   4.000
  154    HA   VAL  27           HA       VAL  27   6.079   1.183   3.585
  155    HB   VAL  27           HB       VAL  27   7.365  -0.024   5.771
  156   1HG1  VAL  27          3HG2      VAL  27   9.563   0.891   5.080
  157   2HG1  VAL  27          1HG2      VAL  27   8.900   2.537   5.233
  158   3HG1  VAL  27          2HG2      VAL  27   8.995   1.478   6.651
  159   1HG2  VAL  27          2HG1      VAL  27   5.359   1.307   5.832
  160   2HG2  VAL  27          3HG1      VAL  27   6.546   1.810   7.049
  161   3HG2  VAL  27          1HG1      VAL  27   6.308   2.780   5.569
  162    H    LEU  28           H        LEU  28   6.749   3.106   2.805
  163    HA   LEU  28           HA       LEU  28   9.461   3.410   1.493
  164   1HB   LEU  28          1HB       LEU  28   6.836   4.940   1.233
  165   2HB   LEU  28          2HB       LEU  28   8.380   5.662   0.795
  166    HG   LEU  28           HG       LEU  28   8.815   4.027  -0.906
  167   1HD1  LEU  28          1HD2      LEU  28   6.272   2.643   0.030
  168   2HD1  LEU  28          2HD2      LEU  28   7.043   2.333  -1.537
  169   3HD1  LEU  28          3HD2      LEU  28   7.913   1.964  -0.053
  170   1HD2  LEU  28          2HD1      LEU  28   7.410   5.971  -1.503
  171   2HD2  LEU  28          3HD1      LEU  28   6.952   4.547  -2.446
  172   3HD2  LEU  28          1HD1      LEU  28   5.949   5.059  -1.081
  173    H    ASN  29           H        ASN  29   7.240   5.463   3.327
  174    HA   ASN  29           HA       ASN  29   9.098   5.579   5.633
  175   1HB   ASN  29          1HB       ASN  29   7.341   7.902   4.673
  176   2HB   ASN  29          2HB       ASN  29   8.321   7.871   6.142
  177   1HD2  ASN  29          1HD2      ASN  29  10.168   8.571   2.581
  178   2HD2  ASN  29          2HD2      ASN  29   8.502   7.981   2.564
  179    HA   PRO  30           HA       PRO  30   5.705   3.718   7.934
  180   1HB   PRO  30          2HB       PRO  30   5.913   6.208   9.649
  181   2HB   PRO  30          1HB       PRO  30   5.611   4.523  10.166
  182   1HG   PRO  30          2HG       PRO  30   8.135   5.473  10.275
  183   2HG   PRO  30          1HG       PRO  30   7.850   3.862   9.567
  184   1HD   PRO  30          2HD       PRO  30   8.350   6.477   8.141
  185   2HD   PRO  30          1HD       PRO  30   8.958   4.837   7.760
  186    H    TYR  31           H        TYR  31   5.200   7.097   7.084
  187    HA   TYR  31           HA       TYR  31   2.281   6.717   6.587
  188   1HB   TYR  31          2HB       TYR  31   3.871   9.281   6.358
  189   2HB   TYR  31          1HB       TYR  31   2.132   9.065   6.436
  190    HD1  TYR  31           HD1      TYR  31   5.335   9.048   8.337
  191    HD2  TYR  31           HD2      TYR  31   1.027   8.901   8.638
  192    HE1  TYR  31           HE1      TYR  31   5.491   9.331  10.808
  193    HE2  TYR  31           HE2      TYR  31   1.200   9.238  11.099
  194    HH   TYR  31           HH       TYR  31   2.595   9.376  12.874
  195    H    TYR  32           H        TYR  32   3.345   6.279   3.084
  196    HA   TYR  32           HA       TYR  32   1.819   4.994   5.331
  197   1HB   TYR  32          1HB       TYR  32   0.123   4.514   3.529
  198   2HB   TYR  32          2HB       TYR  32   0.341   6.172   3.936
  199    HD1  TYR  32           HD2      TYR  32   1.280   3.638   1.301
  200    HD2  TYR  32           HD1      TYR  32   0.878   7.825   2.315
  201    HE1  TYR  32           HE2      TYR  32   1.866   4.277  -1.029
  202    HE2  TYR  32           HE1      TYR  32   1.309   8.424  -0.049
  203    HH   TYR  32           HH       TYR  32   1.928   7.691  -2.057
  204    H    SER  33           H        SER  33   1.063   2.776   3.451
  205    HA   SER  33           HA       SER  33   3.642   1.365   2.978
  206   1HB   SER  33          1HB       SER  33   2.866   0.590   5.168
  207   2HB   SER  33          2HB       SER  33   1.314   0.108   4.468
  208    HG   SER  33           HG       SER  33   2.841  -1.649   4.543
  209    H    GLN  34           H        GLN  34   3.700   0.196   1.113
  210    HA   GLN  34           HA       GLN  34   1.589   1.250  -0.738
  211   1HB   GLN  34          1HB       GLN  34   3.593   2.561  -0.415
  212   2HB   GLN  34          2HB       GLN  34   4.592   1.260  -1.011
  213   1HG   GLN  34          1HG       GLN  34   2.334   2.107  -2.843
  214   2HG   GLN  34          2HG       GLN  34   3.507   3.376  -2.498
  215   1HE2  GLN  34          2HE2      GLN  34   4.717   1.734  -5.524
  216   2HE2  GLN  34          1HE2      GLN  34   3.315   2.734  -5.117
  217    H    CYS  35           H        CYS  35   4.079  -0.298  -2.524
  218    HA   CYS  35           HA       CYS  35   2.396  -2.605  -3.311
  219   1HB   CYS  35          1HB       CYS  35   1.227  -0.492  -4.074
  220   2HB   CYS  35          2HB       CYS  35   2.630  -0.116  -5.060
  221    H    LEU  36           H        LEU  36   4.424  -3.771  -3.038
  222    HA   LEU  36           HA       LEU  36   6.677  -3.061  -4.888
  223   1HB   LEU  36          1HB       LEU  36   6.768  -4.550  -2.238
  224   2HB   LEU  36          2HB       LEU  36   8.125  -4.092  -3.253
  225    HG   LEU  36           HG       LEU  36   8.208  -2.604  -1.504
  226   1HD1  LEU  36          3HD2      LEU  36   8.427  -1.488  -3.704
  227   2HD1  LEU  36          1HD2      LEU  36   6.722  -1.027  -3.640
  228   3HD1  LEU  36          2HD2      LEU  36   7.850  -0.380  -2.444
  229   1HD2  LEU  36          2HD1      LEU  36   5.931  -3.082  -0.563
  230   2HD2  LEU  36          3HD1      LEU  36   6.430  -1.384  -0.454
  231   3HD2  LEU  36          1HD1      LEU  36   5.270  -1.887  -1.672
   
  No H/Q in entry =         231
  Start of MODEL    5
    1   1H    THR   1          3H        THR   1  -4.514  -7.572 -11.495
    2   2H    THR   1          1H        THR   1  -4.658  -5.972 -11.202
    3   3H    THR   1          2H        THR   1  -3.251  -6.779 -10.804
    4    HA   THR   1           HA       THR   1  -4.389  -8.048  -9.147
    5    HB   THR   1           HB       THR   1  -3.432  -5.941  -8.362
    6    HG1  THR   1           HG1      THR   1  -4.590  -5.864  -6.527
    7   1HG2  THR   1          2HG2      THR   1  -4.639  -4.274  -9.770
    8   2HG2  THR   1          3HG2      THR   1  -6.127  -4.607  -8.841
    9   3HG2  THR   1          1HG2      THR   1  -4.709  -3.922  -8.040
   10    H    GLN   2           H        GLN   2  -6.282  -8.612  -7.944
   11    HA   GLN   2           HA       GLN   2  -8.865  -7.310  -8.743
   12   1HB   GLN   2          2HB       GLN   2  -8.827  -9.689  -9.396
   13   2HB   GLN   2          1HB       GLN   2  -8.568 -10.166  -7.717
   14   1HG   GLN   2          1HG       GLN   2 -10.964  -8.513  -8.712
   15   2HG   GLN   2          2HG       GLN   2 -10.965 -10.270  -8.574
   16   1HE2  GLN   2          2HE2      GLN   2 -11.719  -8.191  -5.253
   17   2HE2  GLN   2          1HE2      GLN   2 -11.511  -7.334  -6.779
   18    H    SER   3           H        SER   3  -7.861  -9.293  -5.925
   19    HA   SER   3           HA       SER   3  -8.168  -6.942  -4.096
   20   1HB   SER   3          1HB       SER   3  -8.465  -8.557  -2.338
   21   2HB   SER   3          2HB       SER   3  -9.531  -9.009  -3.679
   22    HG   SER   3           HG       SER   3  -7.162 -10.265  -2.793
   23    H    HIS   4           H        HIS   4  -5.698  -8.491  -5.762
   24    HA   HIS   4           HA       HIS   4  -3.646  -8.818  -3.828
   25   1HB   HIS   4          1HB       HIS   4  -3.168  -8.113  -6.746
   26   2HB   HIS   4          2HB       HIS   4  -2.176  -9.072  -5.663
   27    HD2  HIS   4           HD2      HIS   4  -2.907 -11.756  -5.487
   28    HE1  HIS   4           HE1      HIS   4  -6.191 -11.505  -8.157
   29    HE2  HIS   4           HE2      HIS   4  -4.712 -13.113  -6.839
   30    H    ALA   5           H        ALA   5  -3.671  -6.984  -2.462
   31    HA   ALA   5           HA       ALA   5  -3.838  -4.371  -3.010
   32   1HB   ALA   5          2HB       ALA   5  -3.738  -5.369  -0.752
   33   2HB   ALA   5          3HB       ALA   5  -1.972  -5.514  -0.883
   34   3HB   ALA   5          1HB       ALA   5  -2.735  -3.915  -0.878
   35    H    GLY   6           H        GLY   6  -2.685  -2.622  -3.638
   36   1HA   GLY   6          1HA       GLY   6   0.246  -2.865  -4.332
   37   2HA   GLY   6          2HA       GLY   6  -0.823  -1.575  -4.853
   38    H    GLN   7           H        GLN   7  -0.938   0.270  -3.508
   39    HA   GLN   7           HA       GLN   7   0.445   0.358  -0.921
   40   1HB   GLN   7          1HB       GLN   7   0.274   2.302  -2.523
   41   2HB   GLN   7          2HB       GLN   7  -1.449   2.335  -2.169
   42   1HG   GLN   7          1HG       GLN   7  -0.846   2.692   0.289
   43   2HG   GLN   7          2HG       GLN   7   0.800   2.964  -0.267
   44   1HE2  GLN   7          2HE2      GLN   7  -1.710   6.029  -0.488
   45   2HE2  GLN   7          1HE2      GLN   7  -2.182   4.514   0.309
   46    H    CYS   8           H        CYS   8  -0.435  -1.126   0.428
   47    HA   CYS   8           HA       CYS   8  -3.075  -1.895   0.867
   48   1HB   CYS   8          2HB       CYS   8  -2.210  -2.706   3.081
   49   2HB   CYS   8          1HB       CYS   8  -1.209  -3.140   1.698
   50    H    GLY   9           H        GLY   9  -1.491   0.859   2.413
   51   1HA   GLY   9          1HA       GLY   9  -2.755   2.695   3.502
   52   2HA   GLY   9          2HA       GLY   9  -3.977   1.540   3.999
   53    H    GLY  10           H        GLY  10  -0.999   3.006   4.849
   54   1HA   GLY  10          1HA       GLY  10  -0.083   0.941   6.761
   55   2HA   GLY  10          2HA       GLY  10   0.725   2.444   6.362
   56    H    ILE  11           H        ILE  11   0.086   4.400   7.467
   57    HA   ILE  11           HA       ILE  11  -1.604   4.114   9.918
   58    HB   ILE  11           HB       ILE  11   1.149   5.400   9.843
   59   1HG1  ILE  11          2HG1      ILE  11   0.271   2.788  11.150
   60   2HG1  ILE  11          1HG1      ILE  11   1.338   2.944   9.747
   61   1HG2  ILE  11          2HG2      ILE  11  -0.483   6.505  11.385
   62   2HG2  ILE  11          3HG2      ILE  11  -0.761   4.937  12.169
   63   3HG2  ILE  11          1HG2      ILE  11   0.827   5.729  12.256
   64   1HD1  ILE  11          2HD1      ILE  11   2.970   4.220  11.135
   65   2HD1  ILE  11          3HD1      ILE  11   1.988   3.835  12.571
   66   3HD1  ILE  11          1HD1      ILE  11   2.727   2.535  11.627
   67    H    GLY  12           H        GLY  12  -3.117   5.712   9.999
   68   1HA   GLY  12          1HA       GLY  12  -4.184   7.750   9.572
   69   2HA   GLY  12          2HA       GLY  12  -2.729   8.405   8.830
   70    H    TYR  13           H        TYR  13  -2.188   6.819   6.711
   71    HA   TYR  13           HA       TYR  13  -4.380   6.987   4.804
   72   1HB   TYR  13          1HB       TYR  13  -1.585   5.869   4.810
   73   2HB   TYR  13          2HB       TYR  13  -2.695   5.142   3.677
   74    HD1  TYR  13           HD1      TYR  13  -4.316   6.925   2.386
   75    HD2  TYR  13           HD2      TYR  13  -0.347   7.715   3.885
   76    HE1  TYR  13           HE1      TYR  13  -3.855   8.375   0.420
   77    HE2  TYR  13           HE2      TYR  13   0.177   8.989   1.796
   78    HH   TYR  13           HH       TYR  13  -2.288   9.536  -0.711
   79    H    SER  14           H        SER  14  -5.979   5.583   4.317
   80    HA   SER  14           HA       SER  14  -5.875   2.725   5.030
   81   1HB   SER  14          2HB       SER  14  -6.660   3.687   7.104
   82   2HB   SER  14          1HB       SER  14  -7.876   4.667   6.278
   83    HG   SER  14           HG       SER  14  -9.080   2.849   5.929
   84    H    GLY  15           H        GLY  15  -7.771   1.532   4.268
   85   1HA   GLY  15          2HA       GLY  15  -9.314   0.903   2.679
   86   2HA   GLY  15          1HA       GLY  15  -9.621   2.615   2.344
   87    HA   PRO  16           HA       PRO  16  -7.886   0.249  -1.267
   88   1HB   PRO  16          2HB       PRO  16  -9.995   1.814  -2.770
   89   2HB   PRO  16          1HB       PRO  16  -9.526   0.103  -2.934
   90   1HG   PRO  16          2HG       PRO  16 -11.763   0.778  -1.560
   91   2HG   PRO  16          1HG       PRO  16 -10.646  -0.422  -0.845
   92   1HD   PRO  16          2HD       PRO  16 -10.762   2.569  -0.270
   93   2HD   PRO  16          1HD       PRO  16 -10.822   1.211   0.879
   94    H    THR  17           H        THR  17  -6.113   2.138  -0.585
   95    HA   THR  17           HA       THR  17  -5.782   4.172  -2.670
   96    HB   THR  17           HB       THR  17  -3.668   4.657  -1.636
   97    HG1  THR  17           HG1      THR  17  -3.537   2.223  -0.796
   98   1HG2  THR  17          3HG2      THR  17  -5.804   5.521  -0.584
   99   2HG2  THR  17          1HG2      THR  17  -5.752   4.146   0.538
  100   3HG2  THR  17          2HG2      THR  17  -4.452   5.343   0.546
  101    H    VAL  18           H        VAL  18  -6.177   1.860  -4.052
  102    HA   VAL  18           HA       VAL  18  -3.956   0.153  -4.053
  103    HB   VAL  18           HB       VAL  18  -6.306  -0.486  -4.155
  104   1HG1  VAL  18          3HG2      VAL  18  -7.107   1.094  -5.904
  105   2HG1  VAL  18          1HG2      VAL  18  -6.198   0.187  -7.128
  106   3HG1  VAL  18          2HG2      VAL  18  -7.536  -0.587  -6.260
  107   1HG2  VAL  18          2HG1      VAL  18  -4.509  -2.117  -4.661
  108   2HG2  VAL  18          3HG1      VAL  18  -6.036  -2.481  -5.482
  109   3HG2  VAL  18          1HG1      VAL  18  -4.698  -1.767  -6.393
  110    H    CYS  19           H        CYS  19  -2.619  -0.722  -5.511
  111    HA   CYS  19           HA       CYS  19  -1.989   0.572  -8.112
  112   1HB   CYS  19          1HB       CYS  19  -0.493   1.722  -6.811
  113   2HB   CYS  19          2HB       CYS  19  -0.267   0.455  -5.637
  114    H    ALA  20           H        ALA  20  -0.098  -0.835  -9.145
  115    HA   ALA  20           HA       ALA  20  -1.205  -3.131 -10.144
  116   1HB   ALA  20          2HB       ALA  20   0.641  -1.865 -11.149
  117   2HB   ALA  20          3HB       ALA  20   1.754  -2.423  -9.881
  118   3HB   ALA  20          1HB       ALA  20   1.079  -3.576 -11.046
  119    H    SER  21           H        SER  21  -0.066  -5.270 -10.233
  120    HA   SER  21           HA       SER  21  -1.447  -6.518  -8.164
  121   1HB   SER  21          1HB       SER  21   0.308  -7.832 -10.261
  122   2HB   SER  21          2HB       SER  21  -1.087  -8.568  -9.477
  123    HG   SER  21           HG       SER  21  -1.057  -7.141 -11.709
  124    H    GLY  22           H        GLY  22   0.611  -5.499  -6.610
  125   1HA   GLY  22          2HA       GLY  22   2.774  -7.227  -6.048
  126   2HA   GLY  22          1HA       GLY  22   2.107  -5.966  -5.020
  127    H    THR  23           H        THR  23  -0.145  -6.647  -4.185
  128    HA   THR  23           HA       THR  23  -0.978  -7.278  -2.259
  129    HB   THR  23           HB       THR  23  -1.444  -9.517  -3.272
  130    HG1  THR  23           HG1      THR  23  -0.925  -9.325  -0.503
  131   1HG2  THR  23          3HG2      THR  23   1.038 -10.334  -1.692
  132   2HG2  THR  23          1HG2      THR  23  -0.293 -11.440  -2.045
  133   3HG2  THR  23          2HG2      THR  23   0.623 -10.739  -3.369
  134    H    THR  24           H        THR  24   1.754  -6.255  -2.541
  135    HA   THR  24           HA       THR  24   3.060  -7.025  -0.018
  136    HB   THR  24           HB       THR  24   4.865  -5.463  -1.034
  137    HG1  THR  24           HG1      THR  24   4.735  -5.396  -3.297
  138   1HG2  THR  24          2HG2      THR  24   4.994  -7.952  -0.951
  139   2HG2  THR  24          3HG2      THR  24   4.127  -8.036  -2.504
  140   3HG2  THR  24          1HG2      THR  24   5.730  -7.287  -2.408
  141    H    CYS  25           H        CYS  25   3.134  -5.795   1.704
  142    HA   CYS  25           HA       CYS  25   2.066  -2.983   1.712
  143   1HB   CYS  25          1HB       CYS  25   0.601  -4.772   2.693
  144   2HB   CYS  25          2HB       CYS  25   1.862  -5.133   3.867
  145    H    GLN  26           H        GLN  26   4.407  -2.495   1.173
  146    HA   GLN  26           HA       GLN  26   6.294  -2.897   3.454
  147   1HB   GLN  26          1HB       GLN  26   6.731  -4.139   1.442
  148   2HB   GLN  26          2HB       GLN  26   6.633  -2.682   0.453
  149   1HG   GLN  26          2HG       GLN  26   8.955  -3.317   0.759
  150   2HG   GLN  26          1HG       GLN  26   8.679  -1.782   1.576
  151   1HE2  GLN  26          1HE2      GLN  26   9.729  -5.054   3.776
  152   2HE2  GLN  26          2HE2      GLN  26   9.395  -5.202   2.040
  153    H    VAL  27           H        VAL  27   7.539  -1.286   4.325
  154    HA   VAL  27           HA       VAL  27   6.358   1.344   4.203
  155    HB   VAL  27           HB       VAL  27   6.971   0.318   6.300
  156   1HG1  VAL  27          3HG2      VAL  27   9.082  -0.826   5.676
  157   2HG1  VAL  27          1HG2      VAL  27   9.898   0.740   5.538
  158   3HG1  VAL  27          2HG2      VAL  27   9.291   0.195   7.101
  159   1HG2  VAL  27          2HG1      VAL  27   6.782   2.789   6.085
  160   2HG2  VAL  27          3HG1      VAL  27   7.853   2.273   7.399
  161   3HG2  VAL  27          1HG1      VAL  27   8.547   2.888   5.892
  162    H    LEU  28           H        LEU  28   6.916   3.161   3.171
  163    HA   LEU  28           HA       LEU  28   9.764   3.661   2.286
  164   1HB   LEU  28          1HB       LEU  28   7.123   5.031   1.618
  165   2HB   LEU  28          2HB       LEU  28   8.674   5.840   1.419
  166    HG   LEU  28           HG       LEU  28   9.473   4.018  -0.066
  167   1HD1  LEU  28          3HD1      LEU  28   6.611   3.052   0.250
  168   2HD1  LEU  28          1HD1      LEU  28   7.677   2.543  -1.081
  169   3HD1  LEU  28          2HD1      LEU  28   8.088   2.125   0.574
  170   1HD2  LEU  28          3HD2      LEU  28   8.516   6.116  -0.967
  171   2HD2  LEU  28          1HD2      LEU  28   8.144   4.740  -2.010
  172   3HD2  LEU  28          2HD2      LEU  28   6.893   5.395  -0.935
  173    H    ASN  29           H        ASN  29   7.140   5.368   3.947
  174    HA   ASN  29           HA       ASN  29   8.869   5.872   6.288
  175   1HB   ASN  29          1HB       ASN  29   8.146   8.153   6.585
  176   2HB   ASN  29          2HB       ASN  29   8.792   8.028   4.960
  177   1HD2  ASN  29          1HD2      ASN  29   5.596   8.765   3.505
  178   2HD2  ASN  29          2HD2      ASN  29   7.235   8.220   3.151
  179    HA   PRO  30           HA       PRO  30   5.763   3.685   8.310
  180   1HB   PRO  30          2HB       PRO  30   5.200   5.067  10.692
  181   2HB   PRO  30          1HB       PRO  30   6.602   4.014  10.382
  182   1HG   PRO  30          1HG       PRO  30   6.441   7.027  10.094
  183   2HG   PRO  30          2HG       PRO  30   7.707   6.067  10.920
  184   1HD   PRO  30          2HD       PRO  30   8.137   6.959   8.443
  185   2HD   PRO  30          1HD       PRO  30   8.576   5.270   8.815
  186    H    TYR  31           H        TYR  31   4.799   7.099   7.915
  187    HA   TYR  31           HA       TYR  31   1.978   6.591   8.240
  188   1HB   TYR  31          1HB       TYR  31   3.453   8.972   7.106
  189   2HB   TYR  31          2HB       TYR  31   1.715   8.890   7.361
  190    HD1  TYR  31           HD2      TYR  31   0.758   8.486   9.658
  191    HD2  TYR  31           HD1      TYR  31   4.963   9.263   9.045
  192    HE1  TYR  31           HE2      TYR  31   1.081   8.728  12.118
  193    HE2  TYR  31           HE1      TYR  31   5.269   9.503  11.504
  194    HH   TYR  31           HH       TYR  31   4.278   9.414  13.527
  195    H    TYR  32           H        TYR  32   3.966   5.871   5.485
  196    HA   TYR  32           HA       TYR  32   1.542   4.693   4.544
  197   1HB   TYR  32          1HB       TYR  32   0.839   5.735   2.817
  198   2HB   TYR  32          2HB       TYR  32   1.774   7.078   3.441
  199    HD1  TYR  32           HD1      TYR  32   2.348   4.066   1.184
  200    HD2  TYR  32           HD2      TYR  32   2.557   8.351   1.721
  201    HE1  TYR  32           HE1      TYR  32   2.658   4.368  -1.250
  202    HE2  TYR  32           HE2      TYR  32   2.770   8.629  -0.738
  203    HH   TYR  32           HH       TYR  32   1.754   6.553  -2.802
  204    H    SER  33           H        SER  33   1.698   2.797   4.058
  205    HA   SER  33           HA       SER  33   4.212   1.432   3.304
  206   1HB   SER  33          1HB       SER  33   3.054   0.675   5.308
  207   2HB   SER  33          2HB       SER  33   1.555   0.421   4.392
  208    HG   SER  33           HG       SER  33   3.006  -1.501   4.627
  209    H    GLN  34           H        GLN  34   4.491   0.653   1.304
  210    HA   GLN  34           HA       GLN  34   2.439   1.242  -0.755
  211   1HB   GLN  34          1HB       GLN  34   4.332   2.816  -0.444
  212   2HB   GLN  34          2HB       GLN  34   5.441   1.510  -0.887
  213   1HG   GLN  34          1HG       GLN  34   4.553   1.465  -3.170
  214   2HG   GLN  34          2HG       GLN  34   3.260   2.591  -2.749
  215   1HE2  GLN  34          2HE2      GLN  34   5.452   5.330  -3.378
  216   2HE2  GLN  34          1HE2      GLN  34   3.810   4.933  -2.906
  217    H    CYS  35           H        CYS  35   2.728   0.388  -2.728
  218    HA   CYS  35           HA       CYS  35   2.596  -2.321  -3.364
  219   1HB   CYS  35          1HB       CYS  35   1.695  -0.125  -4.405
  220   2HB   CYS  35          2HB       CYS  35   3.287   0.103  -5.096
  221    H    LEU  36           H        LEU  36   5.053  -2.402  -2.071
  222    HA   LEU  36           HA       LEU  36   7.146  -2.903  -4.184
  223   1HB   LEU  36          1HB       LEU  36   7.298  -1.792  -1.386
  224   2HB   LEU  36          2HB       LEU  36   8.635  -2.756  -2.004
  225    HG   LEU  36           HG       LEU  36   9.046  -1.230  -3.814
  226   1HD1  LEU  36          1HD2      LEU  36   6.606   0.280  -2.793
  227   2HD1  LEU  36          2HD2      LEU  36   7.823   1.000  -3.870
  228   3HD1  LEU  36          3HD2      LEU  36   6.878  -0.380  -4.424
  229   1HD2  LEU  36          2HD1      LEU  36  10.065  -0.815  -1.587
  230   2HD2  LEU  36          3HD1      LEU  36   9.787   0.705  -2.457
  231   3HD2  LEU  36          1HD1      LEU  36   8.695   0.219  -1.145
   
  No H/Q in entry =         231
  Start of MODEL    6
    1   1H    THR   1          1H        THR   1  -7.375 -10.477 -12.791
    2   2H    THR   1          2H        THR   1  -7.073  -8.893 -12.566
    3   3H    THR   1          3H        THR   1  -5.929  -9.850 -13.288
    4    HA   THR   1           HA       THR   1  -5.581 -11.101 -11.310
    5    HB   THR   1           HB       THR   1  -4.275  -8.989 -11.591
    6    HG1  THR   1           HG1      THR   1  -3.486  -9.090  -9.548
    7   1HG2  THR   1          2HG2      THR   1  -6.182  -7.341 -11.250
    8   2HG2  THR   1          3HG2      THR   1  -6.207  -7.804  -9.530
    9   3HG2  THR   1          1HG2      THR   1  -4.774  -7.035 -10.227
   10    H    GLN   2           H        GLN   2  -5.801 -10.637  -8.679
   11    HA   GLN   2           HA       GLN   2  -8.691 -10.408  -7.940
   12   1HB   GLN   2          1HB       GLN   2  -6.952 -12.865  -7.470
   13   2HB   GLN   2          2HB       GLN   2  -8.406 -12.532  -6.527
   14   1HG   GLN   2          1HG       GLN   2  -8.386 -12.902  -9.563
   15   2HG   GLN   2          2HG       GLN   2  -8.797 -14.130  -8.367
   16   1HE2  GLN   2          2HE2      GLN   2 -11.579 -11.282  -9.166
   17   2HE2  GLN   2          1HE2      GLN   2  -9.920 -10.962  -9.692
   18    H    SER   3           H        SER   3  -5.508 -11.181  -6.444
   19    HA   SER   3           HA       SER   3  -5.831  -9.363  -4.188
   20   1HB   SER   3          1HB       SER   3  -3.379  -9.777  -3.960
   21   2HB   SER   3          2HB       SER   3  -4.296 -11.283  -4.124
   22    HG   SER   3           HG       SER   3  -2.747  -9.937  -6.079
   23    H    HIS   4           H        HIS   4  -6.801  -7.726  -5.842
   24    HA   HIS   4           HA       HIS   4  -5.160  -6.397  -7.761
   25   1HB   HIS   4          1HB       HIS   4  -7.662  -6.554  -7.701
   26   2HB   HIS   4          2HB       HIS   4  -7.667  -5.328  -6.435
   27    HD2  HIS   4           HD2      HIS   4  -8.964  -4.943  -9.521
   28    HE1  HIS   4           HE1      HIS   4  -5.970  -1.947  -9.726
   29    HE2  HIS   4           HE2      HIS   4  -8.154  -2.751 -10.754
   30    H    ALA   5           H        ALA   5  -6.137  -5.317  -4.496
   31    HA   ALA   5           HA       ALA   5  -4.723  -2.843  -4.513
   32   1HB   ALA   5          2HB       ALA   5  -6.625  -3.260  -3.040
   33   2HB   ALA   5          3HB       ALA   5  -5.714  -4.505  -2.162
   34   3HB   ALA   5          1HB       ALA   5  -5.194  -2.815  -2.101
   35    H    GLY   6           H        GLY   6  -2.537  -2.816  -4.888
   36   1HA   GLY   6          1HA       GLY   6  -0.530  -4.358  -3.535
   37   2HA   GLY   6          2HA       GLY   6  -0.329  -2.750  -4.228
   38    H    GLN   7           H        GLN   7  -1.736  -1.069  -2.880
   39    HA   GLN   7           HA       GLN   7  -0.321  -0.554  -0.471
   40   1HB   GLN   7          1HB       GLN   7  -1.265   1.167  -1.998
   41   2HB   GLN   7          2HB       GLN   7  -2.887   0.665  -1.474
   42   1HG   GLN   7          2HG       GLN   7  -1.788   1.229   0.966
   43   2HG   GLN   7          1HG       GLN   7  -0.791   2.279  -0.026
   44   1HE2  GLN   7          2HE2      GLN   7  -3.749   4.180   1.153
   45   2HE2  GLN   7          1HE2      GLN   7  -2.296   3.487   1.886
   46    H    CYS   8           H        CYS   8  -0.735  -2.616   0.663
   47    HA   CYS   8           HA       CYS   8  -2.829  -3.629   1.989
   48   1HB   CYS   8          2HB       CYS   8  -1.337  -4.026   3.933
   49   2HB   CYS   8          1HB       CYS   8  -0.535  -4.335   2.391
   50    H    GLY   9           H        GLY   9  -1.577  -0.444   2.912
   51   1HA   GLY   9          1HA       GLY   9  -2.899   1.244   3.971
   52   2HA   GLY   9          2HA       GLY   9  -3.874   0.033   4.789
   53    H    GLY  10           H        GLY  10  -1.196   2.105   5.115
   54   1HA   GLY  10          1HA       GLY  10  -0.026   0.693   7.516
   55   2HA   GLY  10          2HA       GLY  10   0.828   1.847   6.518
   56    H    ILE  11           H        ILE  11   1.272   2.726   8.791
   57    HA   ILE  11           HA       ILE  11  -0.497   3.444  10.719
   58    HB   ILE  11           HB       ILE  11   1.942   5.102  10.046
   59   1HG1  ILE  11          2HG1      ILE  11   1.742   2.718  11.949
   60   2HG1  ILE  11          1HG1      ILE  11   2.441   2.627  10.330
   61   1HG2  ILE  11          2HG2      ILE  11   0.392   6.182  11.712
   62   2HG2  ILE  11          3HG2      ILE  11   0.458   4.711  12.692
   63   3HG2  ILE  11          1HG2      ILE  11   1.901   5.710  12.454
   64   1HD1  ILE  11          2HD1      ILE  11   4.127   4.350  10.948
   65   2HD1  ILE  11          3HD1      ILE  11   3.540   4.289  12.624
   66   3HD1  ILE  11          1HD1      ILE  11   4.244   2.853  11.885
   67    H    GLY  12           H        GLY  12  -2.488   4.272  10.174
   68   1HA   GLY  12          1HA       GLY  12  -3.991   6.053  10.216
   69   2HA   GLY  12          2HA       GLY  12  -2.718   7.192   9.799
   70    H    TYR  13           H        TYR  13  -2.986   4.495   7.607
   71    HA   TYR  13           HA       TYR  13  -4.704   6.068   5.732
   72   1HB   TYR  13          1HB       TYR  13  -1.990   5.997   5.542
   73   2HB   TYR  13          2HB       TYR  13  -2.388   4.635   4.532
   74    HD1  TYR  13           HD2      TYR  13  -4.677   5.258   2.959
   75    HD2  TYR  13           HD1      TYR  13  -1.699   8.031   4.434
   76    HE1  TYR  13           HE2      TYR  13  -5.359   6.933   1.252
   77    HE2  TYR  13           HE1      TYR  13  -2.314   9.628   2.624
   78    HH   TYR  13           HH       TYR  13  -4.902   8.882   0.282
   79    H    SER  14           H        SER  14  -6.456   4.971   5.416
   80    HA   SER  14           HA       SER  14  -6.386   2.094   4.506
   81   1HB   SER  14          1HB       SER  14  -8.638   3.469   6.043
   82   2HB   SER  14          2HB       SER  14  -8.542   1.766   5.559
   83    HG   SER  14           HG       SER  14  -6.482   1.790   6.841
   84    H    GLY  15           H        GLY  15  -7.661   5.309   3.775
   85   1HA   GLY  15          2HA       GLY  15  -9.446   4.546   1.639
   86   2HA   GLY  15          1HA       GLY  15  -8.693   6.126   1.868
   87    HA   PRO  16           HA       PRO  16  -6.666   3.453  -1.578
   88   1HB   PRO  16          1HB       PRO  16  -7.875   4.261  -3.894
   89   2HB   PRO  16          2HB       PRO  16  -8.535   2.998  -2.823
   90   1HG   PRO  16          1HG       PRO  16  -9.239   5.957  -2.829
   91   2HG   PRO  16          2HG       PRO  16 -10.375   4.586  -2.950
   92   1HD   PRO  16          2HD       PRO  16  -9.911   5.729  -0.556
   93   2HD   PRO  16          1HD       PRO  16  -9.972   3.950  -0.679
   94    H    THR  17           H        THR  17  -4.730   4.411  -1.420
   95    HA   THR  17           HA       THR  17  -4.158   6.298  -3.659
   96    HB   THR  17           HB       THR  17  -3.633   7.639  -1.792
   97    HG1  THR  17           HG1      THR  17  -1.432   7.924  -2.167
   98   1HG2  THR  17          2HG2      THR  17  -3.434   5.880  -0.053
   99   2HG2  THR  17          3HG2      THR  17  -1.852   5.428  -0.684
  100   3HG2  THR  17          1HG2      THR  17  -2.122   7.049  -0.001
  101    H    VAL  18           H        VAL  18  -4.551   4.130  -4.459
  102    HA   VAL  18           HA       VAL  18  -2.838   2.001  -3.450
  103    HB   VAL  18           HB       VAL  18  -5.129   1.873  -2.995
  104   1HG1  VAL  18          2HG1      VAL  18  -6.125   3.037  -4.967
  105   2HG1  VAL  18          3HG1      VAL  18  -5.754   1.623  -5.969
  106   3HG1  VAL  18          1HG1      VAL  18  -6.886   1.481  -4.617
  107   1HG2  VAL  18          3HG2      VAL  18  -3.816  -0.251  -3.382
  108   2HG2  VAL  18          1HG2      VAL  18  -5.565  -0.404  -3.583
  109   3HG2  VAL  18          2HG2      VAL  18  -4.521  -0.320  -5.006
  110    H    CYS  19           H        CYS  19  -1.205   1.239  -4.487
  111    HA   CYS  19           HA       CYS  19  -0.742   1.081  -7.330
  112   1HB   CYS  19          2HB       CYS  19   1.005   1.067  -5.569
  113   2HB   CYS  19          1HB       CYS  19   0.354  -0.447  -4.958
  114    H    ALA  20           H        ALA  20  -0.595  -0.898  -8.596
  115    HA   ALA  20           HA       ALA  20  -2.874  -2.688  -8.412
  116   1HB   ALA  20          2HB       ALA  20  -1.917  -1.819 -10.547
  117   2HB   ALA  20          3HB       ALA  20  -0.460  -2.800 -10.269
  118   3HB   ALA  20          1HB       ALA  20  -2.036  -3.578 -10.521
  119    H    SER  21           H        SER  21  -2.017  -5.125  -9.242
  120    HA   SER  21           HA       SER  21  -1.878  -6.307  -6.703
  121   1HB   SER  21          1HB       SER  21  -2.094  -8.440  -7.844
  122   2HB   SER  21          2HB       SER  21  -3.227  -7.209  -8.412
  123    HG   SER  21           HG       SER  21  -0.816  -7.896  -9.733
  124    H    GLY  22           H        GLY  22   0.109  -5.655  -5.784
  125   1HA   GLY  22          2HA       GLY  22   2.177  -7.844  -6.068
  126   2HA   GLY  22          1HA       GLY  22   2.548  -6.244  -5.435
  127    H    THR  23           H        THR  23   1.031  -5.577  -3.600
  128    HA   THR  23           HA       THR  23  -0.043  -5.749  -1.620
  129    HB   THR  23           HB       THR  23  -0.394  -8.738  -1.943
  130    HG1  THR  23           HG1      THR  23  -2.220  -6.726  -2.773
  131   1HG2  THR  23          3HG2      THR  23  -2.059  -6.570  -0.554
  132   2HG2  THR  23          1HG2      THR  23  -2.481  -8.293  -0.657
  133   3HG2  THR  23          2HG2      THR  23  -1.088  -7.785   0.293
  134    H    THR  24           H        THR  24   2.587  -5.503  -1.611
  135    HA   THR  24           HA       THR  24   3.762  -7.140   0.575
  136    HB   THR  24           HB       THR  24   5.912  -6.194  -0.401
  137    HG1  THR  24           HG1      THR  24   5.800  -5.368  -2.399
  138   1HG2  THR  24          2HG2      THR  24   5.091  -8.496  -0.990
  139   2HG2  THR  24          3HG2      THR  24   4.160  -7.801  -2.333
  140   3HG2  THR  24          1HG2      THR  24   5.927  -7.701  -2.338
  141    H    CYS  25           H        CYS  25   3.250  -6.118   2.446
  142    HA   CYS  25           HA       CYS  25   2.865  -3.306   2.645
  143   1HB   CYS  25          1HB       CYS  25   1.780  -5.365   3.907
  144   2HB   CYS  25          2HB       CYS  25   3.075  -5.097   5.076
  145    H    GLN  26           H        GLN  26   5.405  -3.359   1.823
  146    HA   GLN  26           HA       GLN  26   6.972  -2.152   4.068
  147   1HB   GLN  26          1HB       GLN  26   8.170  -3.913   2.922
  148   2HB   GLN  26          2HB       GLN  26   7.826  -3.213   1.352
  149   1HG   GLN  26          2HG       GLN  26  10.148  -2.816   1.979
  150   2HG   GLN  26          1HG       GLN  26   9.306  -1.292   1.814
  151   1HE2  GLN  26          1HE2      GLN  26   9.924  -2.148   5.746
  152   2HE2  GLN  26          2HE2      GLN  26   8.847  -3.204   4.811
  153    H    VAL  27           H        VAL  27   8.149  -0.073   3.373
  154    HA   VAL  27           HA       VAL  27   5.922   1.688   2.438
  155    HB   VAL  27           HB       VAL  27   5.765   1.214   4.778
  156   1HG1  VAL  27          3HG2      VAL  27   8.118   0.629   5.354
  157   2HG1  VAL  27          1HG2      VAL  27   8.598   2.321   5.119
  158   3HG1  VAL  27          2HG2      VAL  27   7.484   1.880   6.420
  159   1HG2  VAL  27          1HG1      VAL  27   5.280   3.542   3.911
  160   2HG2  VAL  27          2HG1      VAL  27   5.674   3.438   5.641
  161   3HG2  VAL  27          3HG1      VAL  27   6.894   4.015   4.489
  162    H    LEU  28           H        LEU  28   6.245   3.620   1.617
  163    HA   LEU  28           HA       LEU  28   8.876   4.702   0.868
  164   1HB   LEU  28          1HB       LEU  28   5.976   5.607   0.644
  165   2HB   LEU  28          2HB       LEU  28   7.287   6.746   0.366
  166    HG   LEU  28           HG       LEU  28   8.170   5.502  -1.466
  167   1HD1  LEU  28          1HD2      LEU  28   5.993   3.427  -0.972
  168   2HD1  LEU  28          2HD2      LEU  28   7.078   3.507  -2.379
  169   3HD1  LEU  28          3HD2      LEU  28   7.745   3.177  -0.787
  170   1HD2  LEU  28          2HD1      LEU  28   6.307   7.068  -1.922
  171   2HD2  LEU  28          3HD1      LEU  28   6.243   5.692  -3.034
  172   3HD2  LEU  28          1HD1      LEU  28   5.129   5.768  -1.661
  173    H    ASN  29           H        ASN  29   6.307   6.421   2.633
  174    HA   ASN  29           HA       ASN  29   8.188   7.212   4.808
  175   1HB   ASN  29          1HB       ASN  29   6.827   9.193   5.095
  176   2HB   ASN  29          2HB       ASN  29   7.446   9.086   3.448
  177   1HD2  ASN  29          1HD2      ASN  29   3.560   9.555   3.789
  178   2HD2  ASN  29          2HD2      ASN  29   4.721  10.068   5.014
  179    HA   PRO  30           HA       PRO  30   6.090   4.490   7.653
  180   1HB   PRO  30          2HB       PRO  30   6.109   7.007   9.354
  181   2HB   PRO  30          1HB       PRO  30   6.340   5.314   9.882
  182   1HG   PRO  30          2HG       PRO  30   8.524   6.815   9.364
  183   2HG   PRO  30          1HG       PRO  30   8.434   5.156   8.709
  184   1HD   PRO  30          2HD       PRO  30   7.991   7.766   7.263
  185   2HD   PRO  30          1HD       PRO  30   8.775   6.257   6.699
  186    H    TYR  31           H        TYR  31   4.463   7.627   7.173
  187    HA   TYR  31           HA       TYR  31   1.911   6.638   8.203
  188   1HB   TYR  31          1HB       TYR  31   2.813   9.326   7.146
  189   2HB   TYR  31          2HB       TYR  31   1.157   8.985   7.613
  190    HD1  TYR  31           HD2      TYR  31   0.501   8.480   9.930
  191    HD2  TYR  31           HD1      TYR  31   4.594   9.447   8.937
  192    HE1  TYR  31           HE2      TYR  31   1.047   8.684  12.349
  193    HE2  TYR  31           HE1      TYR  31   5.114   9.680  11.362
  194    HH   TYR  31           HH       TYR  31   4.302   9.596  13.466
  195    H    TYR  32           H        TYR  32   3.068   5.577   5.541
  196    HA   TYR  32           HA       TYR  32   0.552   4.426   5.599
  197   1HB   TYR  32          2HB       TYR  32  -0.311   4.326   3.414
  198   2HB   TYR  32          1HB       TYR  32  -0.177   5.979   3.926
  199    HD1  TYR  32           HD1      TYR  32   2.400   3.780   2.027
  200    HD2  TYR  32           HD2      TYR  32  -0.060   7.332   2.025
  201    HE1  TYR  32           HE1      TYR  32   2.037   3.550  -0.395
  202    HE2  TYR  32           HE2      TYR  32   0.141   7.383  -0.465
  203    HH   TYR  32           HH       TYR  32  -0.068   5.515  -2.213
  204    H    SER  33           H        SER  33   0.738   2.570   3.381
  205    HA   SER  33           HA       SER  33   3.465   1.657   3.199
  206   1HB   SER  33          1HB       SER  33   2.985   0.576   5.292
  207   2HB   SER  33          2HB       SER  33   1.502  -0.146   4.656
  208    HG   SER  33           HG       SER  33   3.582  -1.461   4.600
  209    H    GLN  34           H        GLN  34   3.810   0.061   1.475
  210    HA   GLN  34           HA       GLN  34   1.791   0.747  -0.640
  211   1HB   GLN  34          1HB       GLN  34   3.802   2.289  -0.322
  212   2HB   GLN  34          2HB       GLN  34   4.775   1.004  -0.962
  213   1HG   GLN  34          1HG       GLN  34   2.859   1.048  -2.926
  214   2HG   GLN  34          2HG       GLN  34   2.590   2.656  -2.321
  215   1HE2  GLN  34          2HE2      GLN  34   5.064   3.601  -4.657
  216   2HE2  GLN  34          1HE2      GLN  34   3.410   3.860  -4.083
  217    H    CYS  35           H        CYS  35   4.701  -0.688  -1.852
  218    HA   CYS  35           HA       CYS  35   3.461  -3.125  -2.872
  219   1HB   CYS  35          1HB       CYS  35   1.907  -1.267  -3.613
  220   2HB   CYS  35          2HB       CYS  35   3.257  -0.535  -4.467
  221    H    LEU  36           H        LEU  36   5.786  -3.620  -2.394
  222    HA   LEU  36           HA       LEU  36   7.616  -3.046  -4.638
  223   1HB   LEU  36          1HB       LEU  36   8.966  -2.770  -2.011
  224   2HB   LEU  36          2HB       LEU  36   9.210  -1.932  -3.530
  225    HG   LEU  36           HG       LEU  36   7.028  -0.603  -2.910
  226   1HD1  LEU  36          3HD2      LEU  36   6.460  -2.173  -0.905
  227   2HD1  LEU  36          1HD2      LEU  36   7.903  -1.517  -0.135
  228   3HD1  LEU  36          2HD2      LEU  36   6.552  -0.447  -0.533
  229   1HD2  LEU  36          1HD1      LEU  36   9.622  -0.234  -1.361
  230   2HD2  LEU  36          2HD1      LEU  36   9.208   0.460  -2.944
  231   3HD2  LEU  36          3HD1      LEU  36   8.321   0.968  -1.499
   
  No H/Q in entry =         231
  Start of MODEL    7
    1   1H    THR   1          2H        THR   1  -6.869  -7.513 -11.644
    2   2H    THR   1          3H        THR   1  -6.961  -5.981 -11.081
    3   3H    THR   1          1H        THR   1  -5.648  -6.457 -11.982
    4    HA   THR   1           HA       THR   1  -4.979  -8.011 -10.319
    5    HB   THR   1           HB       THR   1  -4.094  -5.699 -10.128
    6    HG1  THR   1           HG1      THR   1  -3.315  -6.079  -8.084
    7   1HG2  THR   1          2HG2      THR   1  -6.177  -4.484  -9.470
    8   2HG2  THR   1          3HG2      THR   1  -6.152  -5.311  -7.889
    9   3HG2  THR   1          1HG2      THR   1  -4.835  -4.225  -8.349
   10    H    GLN   2           H        GLN   2  -5.112  -8.184  -7.713
   11    HA   GLN   2           HA       GLN   2  -7.829  -9.230  -7.041
   12   1HB   GLN   2          1HB       GLN   2  -5.306 -10.814  -7.695
   13   2HB   GLN   2          2HB       GLN   2  -6.375 -11.384  -6.424
   14   1HG   GLN   2          1HG       GLN   2  -7.100 -12.559  -8.269
   15   2HG   GLN   2          2HG       GLN   2  -8.310 -11.294  -8.072
   16   1HE2  GLN   2          2HE2      GLN   2  -7.780 -11.455 -11.654
   17   2HE2  GLN   2          1HE2      GLN   2  -8.607 -12.349 -10.383
   18    H    SER   3           H        SER   3  -8.238  -8.779  -4.954
   19    HA   SER   3           HA       SER   3  -8.039  -8.119  -2.792
   20   1HB   SER   3          1HB       SER   3  -6.285  -8.689  -1.382
   21   2HB   SER   3          2HB       SER   3  -6.151  -9.918  -2.640
   22    HG   SER   3           HG       SER   3  -4.503  -8.501  -3.590
   23    H    HIS   4           H        HIS   4  -6.737  -6.333  -1.382
   24    HA   HIS   4           HA       HIS   4  -6.471  -3.907  -3.037
   25   1HB   HIS   4          1HB       HIS   4  -7.557  -3.837  -0.812
   26   2HB   HIS   4          2HB       HIS   4  -6.010  -4.247  -0.061
   27    HD2  HIS   4           HD2      HIS   4  -6.769  -1.573   1.087
   28    HE1  HIS   4           HE1      HIS   4  -4.779   0.355  -2.099
   29    HE2  HIS   4           HE2      HIS   4  -5.708   0.693   0.225
   30    H    ALA   5           H        ALA   5  -4.854  -5.144  -4.295
   31    HA   ALA   5           HA       ALA   5  -2.254  -5.765  -3.351
   32   1HB   ALA   5          2HB       ALA   5  -3.288  -6.786  -5.329
   33   2HB   ALA   5          3HB       ALA   5  -3.236  -5.220  -6.167
   34   3HB   ALA   5          1HB       ALA   5  -1.725  -6.053  -5.734
   35    H    GLY   6           H        GLY   6  -1.148  -4.093  -2.333
   36   1HA   GLY   6          1HA       GLY   6   0.793  -2.673  -3.274
   37   2HA   GLY   6          2HA       GLY   6  -0.483  -1.579  -3.828
   38    H    GLN   7           H        GLN   7  -0.927   0.089  -2.457
   39    HA   GLN   7           HA       GLN   7   0.071   0.167   0.304
   40   1HB   GLN   7          1HB       GLN   7   0.251   2.086  -1.057
   41   2HB   GLN   7          2HB       GLN   7  -1.460   2.099  -1.442
   42   1HG   GLN   7          2HG       GLN   7  -2.028   2.749   0.870
   43   2HG   GLN   7          1HG       GLN   7  -0.366   2.549   1.375
   44   1HE2  GLN   7          2HE2      GLN   7  -0.539   6.121   0.858
   45   2HE2  GLN   7          1HE2      GLN   7  -0.795   4.907   2.111
   46    H    CYS   8           H        CYS   8  -1.086  -1.857   0.666
   47    HA   CYS   8           HA       CYS   8  -3.699  -2.467   0.802
   48   1HB   CYS   8          2HB       CYS   8  -3.074  -4.170   2.415
   49   2HB   CYS   8          1HB       CYS   8  -1.811  -3.983   1.201
   50    H    GLY   9           H        GLY   9  -2.179  -0.431   3.177
   51   1HA   GLY   9          1HA       GLY   9  -4.334   0.917   4.308
   52   2HA   GLY   9          2HA       GLY   9  -4.221  -0.569   5.254
   53    H    GLY  10           H        GLY  10  -2.712   2.521   4.614
   54   1HA   GLY  10          1HA       GLY  10  -0.176   1.993   6.073
   55   2HA   GLY  10          2HA       GLY  10  -0.758   3.538   5.446
   56    H    ILE  11           H        ILE  11   0.323   2.984   8.235
   57    HA   ILE  11           HA       ILE  11  -1.629   3.197  10.246
   58    HB   ILE  11           HB       ILE  11   0.987   4.729  10.103
   59   1HG1  ILE  11          2HG1      ILE  11   0.438   2.037  11.431
   60   2HG1  ILE  11          1HG1      ILE  11   1.398   2.294   9.967
   61   1HG2  ILE  11          2HG2      ILE  11  -0.606   5.621  11.891
   62   2HG2  ILE  11          3HG2      ILE  11  -0.633   3.997  12.584
   63   3HG2  ILE  11          1HG2      ILE  11   0.859   4.955  12.532
   64   1HD1  ILE  11          2HD1      ILE  11   2.937   3.780  11.346
   65   2HD1  ILE  11          3HD1      ILE  11   2.090   3.203  12.794
   66   3HD1  ILE  11          1HD1      ILE  11   2.953   2.063  11.775
   67    H    GLY  12           H        GLY  12  -3.409   4.281   9.116
   68   1HA   GLY  12          2HA       GLY  12  -4.735   6.343   9.736
   69   2HA   GLY  12          1HA       GLY  12  -3.372   7.305   9.181
   70    H    TYR  13           H        TYR  13  -2.692   5.846   6.811
   71    HA   TYR  13           HA       TYR  13  -4.865   6.714   5.016
   72   1HB   TYR  13          1HB       TYR  13  -2.432   7.115   4.608
   73   2HB   TYR  13          2HB       TYR  13  -2.281   5.436   4.122
   74    HD1  TYR  13           HD1      TYR  13  -5.198   5.419   2.631
   75    HD2  TYR  13           HD2      TYR  13  -1.761   8.075   2.524
   76    HE1  TYR  13           HE1      TYR  13  -5.758   6.060   0.341
   77    HE2  TYR  13           HE2      TYR  13  -2.362   8.683   0.180
   78    HH   TYR  13           HH       TYR  13  -5.132   7.172  -1.488
   79    H    SER  14           H        SER  14  -6.286   5.210   6.135
   80    HA   SER  14           HA       SER  14  -6.396   2.381   5.246
   81   1HB   SER  14          1HB       SER  14  -8.113   4.130   7.059
   82   2HB   SER  14          2HB       SER  14  -8.518   2.453   6.664
   83    HG   SER  14           HG       SER  14  -7.245   2.686   8.626
   84    H    GLY  15           H        GLY  15  -6.616   2.897   2.856
   85   1HA   GLY  15          1HA       GLY  15  -9.359   2.905   2.003
   86   2HA   GLY  15          2HA       GLY  15  -8.700   4.543   1.856
   87    HA   PRO  16           HA       PRO  16  -8.282   2.321  -2.229
   88   1HB   PRO  16          2HB       PRO  16  -9.151   5.124  -2.992
   89   2HB   PRO  16          1HB       PRO  16  -9.542   3.580  -3.794
   90   1HG   PRO  16          2HG       PRO  16 -11.362   4.689  -2.136
   91   2HG   PRO  16          1HG       PRO  16 -10.999   2.949  -1.965
   92   1HD   PRO  16          1HD       PRO  16  -9.858   5.245  -0.331
   93   2HD   PRO  16          2HD       PRO  16 -10.591   3.722   0.237
   94    H    THR  17           H        THR  17  -6.374   2.186  -3.144
   95    HA   THR  17           HA       THR  17  -4.738   3.989  -4.433
   96    HB   THR  17           HB       THR  17  -4.198   5.275  -2.552
   97    HG1  THR  17           HG1      THR  17  -1.898   4.533  -2.284
   98   1HG2  THR  17          3HG2      THR  17  -3.507   2.721  -1.028
   99   2HG2  THR  17          1HG2      THR  17  -3.237   4.398  -0.478
  100   3HG2  THR  17          2HG2      THR  17  -4.854   3.791  -0.689
  101    H    VAL  18           H        VAL  18  -5.220   1.937  -5.484
  102    HA   VAL  18           HA       VAL  18  -3.541  -0.400  -4.684
  103    HB   VAL  18           HB       VAL  18  -6.024  -0.586  -4.688
  104   1HG1  VAL  18          2HG1      VAL  18  -6.511   0.785  -6.731
  105   2HG1  VAL  18          3HG1      VAL  18  -5.823  -0.511  -7.729
  106   3HG1  VAL  18          1HG1      VAL  18  -7.268  -0.815  -6.753
  107   1HG2  VAL  18          3HG2      VAL  18  -4.626  -2.557  -4.801
  108   2HG2  VAL  18          1HG2      VAL  18  -6.102  -2.791  -5.745
  109   3HG2  VAL  18          2HG2      VAL  18  -4.565  -2.474  -6.574
  110    H    CYS  19           H        CYS  19  -2.206  -1.466  -6.122
  111    HA   CYS  19           HA       CYS  19  -1.452   0.014  -8.634
  112   1HB   CYS  19          1HB       CYS  19   0.781  -0.755  -8.266
  113   2HB   CYS  19          2HB       CYS  19   0.189  -0.046  -6.779
  114    H    ALA  20           H        ALA  20   0.232  -2.482  -9.250
  115    HA   ALA  20           HA       ALA  20  -1.718  -3.888 -10.950
  116   1HB   ALA  20          2HB       ALA  20   0.526  -3.186 -11.775
  117   2HB   ALA  20          3HB       ALA  20   1.284  -4.310 -10.631
  118   3HB   ALA  20          1HB       ALA  20   0.246  -4.918 -11.945
  119    H    SER  21           H        SER  21  -0.153  -6.466 -10.714
  120    HA   SER  21           HA       SER  21  -1.602  -7.633  -8.374
  121   1HB   SER  21          1HB       SER  21  -1.486  -9.733  -9.610
  122   2HB   SER  21          2HB       SER  21  -2.282  -8.469 -10.555
  123    HG   SER  21           HG       SER  21   0.483  -9.112 -10.782
  124    H    GLY  22           H        GLY  22  -0.253  -7.566  -6.663
  125   1HA   GLY  22          1HA       GLY  22   2.094  -9.336  -6.593
  126   2HA   GLY  22          2HA       GLY  22   2.485  -7.627  -6.374
  127    H    THR  23           H        THR  23   0.448  -6.682  -4.842
  128    HA   THR  23           HA       THR  23  -0.272  -6.416  -2.719
  129    HB   THR  23           HB       THR  23  -0.339  -9.437  -2.396
  130    HG1  THR  23           HG1      THR  23  -2.598  -8.944  -3.174
  131   1HG2  THR  23          3HG2      THR  23  -2.146  -7.219  -1.284
  132   2HG2  THR  23          1HG2      THR  23  -2.396  -8.960  -1.073
  133   3HG2  THR  23          2HG2      THR  23  -1.011  -8.188  -0.327
  134    H    THR  24           H        THR  24   2.562  -6.439  -3.245
  135    HA   THR  24           HA       THR  24   3.753  -6.757  -0.593
  136    HB   THR  24           HB       THR  24   5.555  -5.320  -1.622
  137    HG1  THR  24           HG1      THR  24   5.463  -5.022  -3.824
  138   1HG2  THR  24          2HG2      THR  24   5.696  -7.803  -1.674
  139   2HG2  THR  24          3HG2      THR  24   4.822  -7.815  -3.222
  140   3HG2  THR  24          1HG2      THR  24   6.421  -7.057  -3.107
  141    H    CYS  25           H        CYS  25   4.150  -5.085   0.783
  142    HA   CYS  25           HA       CYS  25   2.854  -2.442   0.546
  143   1HB   CYS  25          1HB       CYS  25   1.077  -4.183   1.102
  144   2HB   CYS  25          2HB       CYS  25   1.900  -4.440   2.636
  145    H    GLN  26           H        GLN  26   5.029  -1.767   0.774
  146    HA   GLN  26           HA       GLN  26   6.544  -2.490   3.255
  147   1HB   GLN  26          1HB       GLN  26   7.266  -3.466   1.120
  148   2HB   GLN  26          2HB       GLN  26   7.381  -1.854   0.409
  149   1HG   GLN  26          2HG       GLN  26   9.591  -2.726   0.963
  150   2HG   GLN  26          1HG       GLN  26   9.257  -1.292   1.929
  151   1HE2  GLN  26          1HE2      GLN  26   9.834  -4.851   3.814
  152   2HE2  GLN  26          2HE2      GLN  26   9.810  -4.768   2.045
  153    H    VAL  27           H        VAL  27   7.730  -0.968   4.415
  154    HA   VAL  27           HA       VAL  27   6.555   1.634   4.539
  155    HB   VAL  27           HB       VAL  27   7.240   0.446   6.506
  156   1HG1  VAL  27          3HG2      VAL  27   9.383  -0.579   5.704
  157   2HG1  VAL  27          1HG2      VAL  27  10.158   1.009   5.803
  158   3HG1  VAL  27          2HG2      VAL  27   9.539   0.235   7.261
  159   1HG2  VAL  27          3HG1      VAL  27   7.009   2.913   6.537
  160   2HG2  VAL  27          1HG1      VAL  27   8.143   2.312   7.759
  161   3HG2  VAL  27          2HG1      VAL  27   8.762   3.076   6.283
  162    H    LEU  28           H        LEU  28   6.946   3.454   3.402
  163    HA   LEU  28           HA       LEU  28   9.780   4.210   2.676
  164   1HB   LEU  28          1HB       LEU  28   7.077   5.421   1.950
  165   2HB   LEU  28          2HB       LEU  28   8.596   6.300   1.791
  166    HG   LEU  28           HG       LEU  28   9.504   4.492   0.326
  167   1HD1  LEU  28          3HD1      LEU  28   6.654   3.451   0.550
  168   2HD1  LEU  28          1HD1      LEU  28   7.750   3.018  -0.783
  169   3HD1  LEU  28          2HD1      LEU  28   8.155   2.558   0.866
  170   1HD2  LEU  28          3HD2      LEU  28   8.555   6.577  -0.593
  171   2HD2  LEU  28          1HD2      LEU  28   8.219   5.206  -1.656
  172   3HD2  LEU  28          2HD2      LEU  28   6.936   5.845  -0.610
  173    H    ASN  29           H        ASN  29   6.982   5.459   4.430
  174    HA   ASN  29           HA       ASN  29   8.645   6.055   6.759
  175   1HB   ASN  29          1HB       ASN  29   7.734   8.291   7.162
  176   2HB   ASN  29          2HB       ASN  29   8.536   8.259   5.607
  177   1HD2  ASN  29          1HD2      ASN  29   5.492   8.913   3.841
  178   2HD2  ASN  29          2HD2      ASN  29   7.149   8.341   3.645
  179    HA   PRO  30           HA       PRO  30   5.706   3.647   8.646
  180   1HB   PRO  30          2HB       PRO  30   4.943   4.934  11.061
  181   2HB   PRO  30          1HB       PRO  30   6.367   3.911  10.760
  182   1HG   PRO  30          2HG       PRO  30   6.172   6.922  10.689
  183   2HG   PRO  30          1HG       PRO  30   7.477   5.908  11.367
  184   1HD   PRO  30          2HD       PRO  30   7.762   7.087   8.975
  185   2HD   PRO  30          1HD       PRO  30   8.345   5.418   9.202
  186    H    TYR  31           H        TYR  31   4.325   6.908   8.366
  187    HA   TYR  31           HA       TYR  31   1.557   6.012   8.314
  188   1HB   TYR  31          2HB       TYR  31   2.764   8.661   7.475
  189   2HB   TYR  31          1HB       TYR  31   1.065   8.330   7.803
  190    HD1  TYR  31           HD2      TYR  31   0.230   8.126  10.144
  191    HD2  TYR  31           HD1      TYR  31   4.361   9.031   9.324
  192    HE1  TYR  31           HE2      TYR  31   0.704   8.111  12.579
  193    HE2  TYR  31           HE1      TYR  31   4.774   9.250  11.781
  194    HH   TYR  31           HH       TYR  31   2.274   8.371  14.165
  195    H    TYR  32           H        TYR  32   3.976   5.825   5.927
  196    HA   TYR  32           HA       TYR  32   1.963   5.159   3.862
  197   1HB   TYR  32          1HB       TYR  32   3.260   7.478   3.567
  198   2HB   TYR  32          2HB       TYR  32   4.485   6.434   2.868
  199    HD1  TYR  32           HD2      TYR  32   2.276   4.343   1.714
  200    HD2  TYR  32           HD1      TYR  32   2.623   8.630   1.511
  201    HE1  TYR  32           HE2      TYR  32   2.028   4.215  -0.724
  202    HE2  TYR  32           HE1      TYR  32   1.959   8.513  -0.904
  203    HH   TYR  32           HH       TYR  32   1.151   5.612  -2.471
  204    H    SER  33           H        SER  33   2.175   2.992   4.296
  205    HA   SER  33           HA       SER  33   4.581   1.544   3.341
  206   1HB   SER  33          1HB       SER  33   3.314   0.588   5.203
  207   2HB   SER  33          2HB       SER  33   1.841   0.559   4.207
  208    HG   SER  33           HG       SER  33   3.793  -1.278   4.239
  209    H    GLN  34           H        GLN  34   4.778   0.708   1.227
  210    HA   GLN  34           HA       GLN  34   2.655   1.419  -0.770
  211   1HB   GLN  34          1HB       GLN  34   4.379   3.194  -0.416
  212   2HB   GLN  34          2HB       GLN  34   5.618   2.040  -0.931
  213   1HG   GLN  34          1HG       GLN  34   4.704   1.990  -3.198
  214   2HG   GLN  34          2HG       GLN  34   3.280   2.918  -2.696
  215   1HE2  GLN  34          2HE2      GLN  34   5.010   5.921  -3.396
  216   2HE2  GLN  34          1HE2      GLN  34   3.445   5.235  -2.974
  217    H    CYS  35           H        CYS  35   2.990   0.635  -2.932
  218    HA   CYS  35           HA       CYS  35   3.348  -2.201  -3.202
  219   1HB   CYS  35          1HB       CYS  35   1.719  -0.801  -4.432
  220   2HB   CYS  35          2HB       CYS  35   3.030   0.001  -5.283
  221    H    LEU  36           H        LEU  36   5.645  -2.015  -2.253
  222    HA   LEU  36           HA       LEU  36   7.676  -2.253  -4.471
  223   1HB   LEU  36          1HB       LEU  36   7.910  -1.426  -1.574
  224   2HB   LEU  36          2HB       LEU  36   9.277  -2.127  -2.424
  225    HG   LEU  36           HG       LEU  36   9.484  -0.291  -3.901
  226   1HD1  LEU  36          1HD2      LEU  36   6.851   0.758  -2.779
  227   2HD1  LEU  36          2HD2      LEU  36   7.996   1.752  -3.702
  228   3HD1  LEU  36          3HD2      LEU  36   7.241   0.360  -4.472
  229   1HD2  LEU  36          2HD1      LEU  36  10.366  -0.079  -1.565
  230   2HD2  LEU  36          3HD1      LEU  36   9.959   1.497  -2.269
  231   3HD2  LEU  36          1HD1      LEU  36   8.869   0.741  -1.090
   
  No H/Q in entry =         231
  Start of MODEL    8
    1   1H    THR   1          1H        THR   1  -7.964  -6.331  -8.025
    2   2H    THR   1          2H        THR   1  -7.667  -5.634  -9.497
    3   3H    THR   1          3H        THR   1  -6.703  -6.850  -8.965
    4    HA   THR   1           HA       THR   1  -5.688  -5.451  -7.397
    5    HB   THR   1           HB       THR   1  -5.207  -3.295  -8.868
    6    HG1  THR   1           HG1      THR   1  -5.797  -3.601 -10.988
    7   1HG2  THR   1          2HG2      THR   1  -3.641  -5.255  -8.607
    8   2HG2  THR   1          3HG2      THR   1  -4.491  -6.067  -9.934
    9   3HG2  THR   1          1HG2      THR   1  -3.655  -4.542 -10.227
   10    H    GLN   2           H        GLN   2  -6.820  -4.906  -5.586
   11    HA   GLN   2           HA       GLN   2  -8.587  -2.490  -5.535
   12   1HB   GLN   2          1HB       GLN   2  -8.669  -5.221  -4.136
   13   2HB   GLN   2          2HB       GLN   2  -9.491  -3.823  -3.472
   14   1HG   GLN   2          1HG       GLN   2 -11.078  -5.134  -4.661
   15   2HG   GLN   2          2HG       GLN   2 -10.879  -3.554  -5.435
   16   1HE2  GLN   2          2HE2      GLN   2 -11.116  -5.635  -8.328
   17   2HE2  GLN   2          1HE2      GLN   2 -11.962  -4.498  -7.285
   18    H    SER   3           H        SER   3  -8.695  -1.617  -3.143
   19    HA   SER   3           HA       SER   3  -6.454  -0.346  -2.368
   20   1HB   SER   3          1HB       SER   3  -8.507  -1.475  -0.429
   21   2HB   SER   3          2HB       SER   3  -7.440  -0.087  -0.141
   22    HG   SER   3           HG       SER   3  -9.642   0.415  -0.876
   23    H    HIS   4           H        HIS   4  -7.145  -3.644  -1.330
   24    HA   HIS   4           HA       HIS   4  -4.558  -3.899   0.134
   25   1HB   HIS   4          1HB       HIS   4  -7.044  -5.625   0.253
   26   2HB   HIS   4          2HB       HIS   4  -5.663  -5.658   1.346
   27    HD2  HIS   4           HD2      HIS   4  -5.720  -3.750   3.385
   28    HE1  HIS   4           HE1      HIS   4  -9.358  -1.917   2.221
   29    HE2  HIS   4           HE2      HIS   4  -7.588  -1.968   4.023
   30    H    ALA   5           H        ALA   5  -4.486  -3.997  -2.723
   31    HA   ALA   5           HA       ALA   5  -3.309  -6.715  -3.139
   32   1HB   ALA   5          2HB       ALA   5  -5.531  -6.649  -4.280
   33   2HB   ALA   5          3HB       ALA   5  -4.954  -5.232  -5.193
   34   3HB   ALA   5          1HB       ALA   5  -4.172  -6.807  -5.413
   35    H    GLY   6           H        GLY   6  -1.136  -6.403  -3.523
   36   1HA   GLY   6          1HA       GLY   6   0.810  -5.487  -4.558
   37   2HA   GLY   6          2HA       GLY   6  -0.185  -4.293  -5.374
   38    H    GLN   7           H        GLN   7  -1.328  -2.763  -3.906
   39    HA   GLN   7           HA       GLN   7   0.187  -1.559  -1.686
   40   1HB   GLN   7          1HB       GLN   7  -1.297  -0.142  -2.982
   41   2HB   GLN   7          2HB       GLN   7  -2.654  -1.256  -2.700
   42   1HG   GLN   7          1HG       GLN   7  -2.438  -0.752  -0.206
   43   2HG   GLN   7          2HG       GLN   7  -1.256   0.491  -0.616
   44   1HE2  GLN   7          2HE2      GLN   7  -4.502   2.166  -0.240
   45   2HE2  GLN   7          1HE2      GLN   7  -3.346   1.363   0.815
   46    H    CYS   8           H        CYS   8   0.282  -2.611   0.301
   47    HA   CYS   8           HA       CYS   8  -1.750  -4.603   1.100
   48   1HB   CYS   8          1HB       CYS   8  -0.468  -4.891   3.088
   49   2HB   CYS   8          2HB       CYS   8   0.610  -4.864   1.692
   50    H    GLY   9           H        GLY   9  -1.069  -1.232   2.122
   51   1HA   GLY   9          1HA       GLY   9  -2.854   0.297   2.674
   52   2HA   GLY   9          2HA       GLY   9  -3.865  -1.024   3.204
   53    H    GLY  10           H        GLY  10  -0.794   0.599   4.093
   54   1HA   GLY  10          1HA       GLY  10  -0.877  -0.323   6.877
   55   2HA   GLY  10          2HA       GLY  10   0.358   0.658   6.118
   56    H    ILE  11           H        ILE  11   0.655   2.067   7.763
   57    HA   ILE  11           HA       ILE  11  -1.017   2.978   9.718
   58    HB   ILE  11           HB       ILE  11   1.226   4.627   8.538
   59   1HG1  ILE  11          2HG1      ILE  11   1.330   2.677  10.889
   60   2HG1  ILE  11          1HG1      ILE  11   1.972   2.343   9.278
   61   1HG2  ILE  11          2HG2      ILE  11  -0.309   5.927  10.070
   62   2HG2  ILE  11          3HG2      ILE  11  -0.045   4.711  11.326
   63   3HG2  ILE  11          1HG2      ILE  11   1.281   5.739  10.764
   64   1HD1  ILE  11          2HD1      ILE  11   3.555   4.273   9.526
   65   2HD1  ILE  11          3HD1      ILE  11   3.005   4.475  11.201
   66   3HD1  ILE  11          1HD1      ILE  11   3.799   2.985  10.707
   67    H    GLY  12           H        GLY  12  -3.054   3.573   9.271
   68   1HA   GLY  12          2HA       GLY  12  -4.737   5.152   9.109
   69   2HA   GLY  12          1HA       GLY  12  -3.563   6.350   8.577
   70    H    TYR  13           H        TYR  13  -3.728   3.427   6.634
   71    HA   TYR  13           HA       TYR  13  -5.256   4.947   4.536
   72   1HB   TYR  13          1HB       TYR  13  -2.634   5.141   4.724
   73   2HB   TYR  13          2HB       TYR  13  -2.630   3.606   3.891
   74    HD1  TYR  13           HD1      TYR  13  -4.910   3.990   1.845
   75    HD2  TYR  13           HD2      TYR  13  -1.883   6.775   3.253
   76    HE1  TYR  13           HE1      TYR  13  -5.479   5.518   0.042
   77    HE2  TYR  13           HE2      TYR  13  -2.437   8.268   1.342
   78    HH   TYR  13           HH       TYR  13  -4.985   7.426  -1.010
   79    H    SER  14           H        SER  14  -6.768   3.088   5.537
   80    HA   SER  14           HA       SER  14  -6.646   0.706   3.740
   81   1HB   SER  14          2HB       SER  14  -7.311   0.439   6.111
   82   2HB   SER  14          1HB       SER  14  -8.789   1.372   5.762
   83    HG   SER  14           HG       SER  14  -9.273  -0.800   5.410
   84    H    GLY  15           H        GLY  15  -6.656   2.183   1.886
   85   1HA   GLY  15          2HA       GLY  15  -9.249   2.379   0.583
   86   2HA   GLY  15          1HA       GLY  15  -8.609   3.968   1.047
   87    HA   PRO  16           HA       PRO  16  -6.850   2.050  -2.948
   88   1HB   PRO  16          2HB       PRO  16  -7.945   3.567  -4.948
   89   2HB   PRO  16          1HB       PRO  16  -8.754   2.169  -4.202
   90   1HG   PRO  16          1HG       PRO  16  -9.118   5.094  -3.475
   91   2HG   PRO  16          2HG       PRO  16 -10.399   3.902  -3.820
   92   1HD   PRO  16          2HD       PRO  16  -9.703   4.449  -1.271
   93   2HD   PRO  16          1HD       PRO  16 -10.031   2.766  -1.767
   94    H    THR  17           H        THR  17  -4.750   2.634  -2.841
   95    HA   THR  17           HA       THR  17  -4.007   4.890  -4.568
   96    HB   THR  17           HB       THR  17  -3.804   5.979  -2.451
   97    HG1  THR  17           HG1      THR  17  -1.199   5.442  -3.291
   98   1HG2  THR  17          1HG2      THR  17  -1.832   3.795  -1.622
   99   2HG2  THR  17          2HG2      THR  17  -2.114   5.326  -0.773
  100   3HG2  THR  17          3HG2      THR  17  -3.408   4.125  -0.920
  101    H    VAL  18           H        VAL  18  -4.077   2.959  -5.723
  102    HA   VAL  18           HA       VAL  18  -2.772   0.618  -4.703
  103    HB   VAL  18           HB       VAL  18  -5.167   0.877  -5.103
  104   1HG1  VAL  18          1HG2      VAL  18  -4.496   0.851  -8.082
  105   2HG1  VAL  18          2HG2      VAL  18  -6.119   0.698  -7.387
  106   3HG1  VAL  18          3HG2      VAL  18  -5.211   2.198  -7.181
  107   1HG2  VAL  18          2HG1      VAL  18  -4.120  -1.404  -5.067
  108   2HG2  VAL  18          3HG1      VAL  18  -5.671  -1.273  -5.919
  109   3HG2  VAL  18          1HG1      VAL  18  -4.186  -1.400  -6.848
  110    H    CYS  19           H        CYS  19  -2.220  -1.239  -6.123
  111    HA   CYS  19           HA       CYS  19  -0.306  -0.544  -8.315
  112   1HB   CYS  19          1HB       CYS  19   0.713  -0.547  -6.019
  113   2HB   CYS  19          2HB       CYS  19   0.187  -2.204  -5.823
  114    H    ALA  20           H        ALA  20   0.687  -2.651  -9.237
  115    HA   ALA  20           HA       ALA  20  -1.203  -4.601 -10.188
  116   1HB   ALA  20          2HB       ALA  20   0.848  -3.978 -11.408
  117   2HB   ALA  20          3HB       ALA  20   1.844  -4.607 -10.079
  118   3HB   ALA  20          1HB       ALA  20   0.847  -5.715 -11.040
  119    H    SER  21           H        SER  21  -1.103  -6.973  -9.716
  120    HA   SER  21           HA       SER  21  -1.575  -7.405  -6.938
  121   1HB   SER  21          1HB       SER  21  -2.575  -8.668  -8.939
  122   2HB   SER  21          2HB       SER  21  -1.088  -9.631  -8.950
  123    HG   SER  21           HG       SER  21  -2.126 -10.732  -7.400
  124    H    GLY  22           H        GLY  22  -0.486  -8.479  -5.291
  125   1HA   GLY  22          2HA       GLY  22   1.593 -10.243  -5.275
  126   2HA   GLY  22          1HA       GLY  22   2.455  -8.708  -5.420
  127    H    THR  23           H        THR  23   1.902  -7.042  -3.801
  128    HA   THR  23           HA       THR  23   1.060  -6.134  -1.916
  129    HB   THR  23           HB       THR  23   0.060  -8.779  -0.854
  130    HG1  THR  23           HG1      THR  23  -1.887  -8.110  -1.904
  131   1HG2  THR  23          3HG2      THR  23  -0.904  -5.897  -0.578
  132   2HG2  THR  23          1HG2      THR  23  -1.706  -7.311   0.126
  133   3HG2  THR  23          2HG2      THR  23  -0.113  -6.835   0.708
  134    H    THR  24           H        THR  24   3.732  -6.463  -2.085
  135    HA   THR  24           HA       THR  24   4.839  -7.468   0.417
  136    HB   THR  24           HB       THR  24   6.946  -6.395  -0.550
  137    HG1  THR  24           HG1      THR  24   6.896  -5.810  -2.585
  138   1HG2  THR  24          2HG2      THR  24   6.527  -8.837  -0.631
  139   2HG2  THR  24          3HG2      THR  24   5.582  -8.628  -2.126
  140   3HG2  THR  24          1HG2      THR  24   7.313  -8.242  -2.102
  141    H    CYS  25           H        CYS  25   4.391  -6.404   2.136
  142    HA   CYS  25           HA       CYS  25   3.401  -3.735   2.097
  143   1HB   CYS  25          1HB       CYS  25   2.507  -5.826   3.280
  144   2HB   CYS  25          2HB       CYS  25   3.744  -5.561   4.516
  145    H    GLN  26           H        GLN  26   5.684  -2.933   1.463
  146    HA   GLN  26           HA       GLN  26   6.956  -1.755   3.918
  147   1HB   GLN  26          1HB       GLN  26   8.382  -3.131   2.469
  148   2HB   GLN  26          2HB       GLN  26   8.072  -2.074   1.111
  149   1HG   GLN  26          2HG       GLN  26  10.285  -1.695   2.180
  150   2HG   GLN  26          1HG       GLN  26   9.312  -0.243   2.139
  151   1HE2  GLN  26          1HE2      GLN  26   9.552  -1.949   5.876
  152   2HE2  GLN  26          2HE2      GLN  26   9.024  -2.967   4.524
  153    H    VAL  27           H        VAL  27   7.948   0.575   3.375
  154    HA   VAL  27           HA       VAL  27   5.461   2.158   2.909
  155    HB   VAL  27           HB       VAL  27   5.928   1.385   5.259
  156   1HG1  VAL  27          1HG2      VAL  27   8.267   3.355   5.148
  157   2HG1  VAL  27          2HG2      VAL  27   7.603   2.593   6.595
  158   3HG1  VAL  27          3HG2      VAL  27   8.352   1.600   5.355
  159   1HG2  VAL  27          3HG1      VAL  27   5.738   4.341   4.680
  160   2HG2  VAL  27          1HG1      VAL  27   4.410   3.186   4.849
  161   3HG2  VAL  27          2HG1      VAL  27   5.410   3.585   6.261
  162    H    LEU  28           H        LEU  28   5.532   4.166   2.133
  163    HA   LEU  28           HA       LEU  28   8.122   5.287   1.142
  164   1HB   LEU  28          1HB       LEU  28   5.227   6.035   0.540
  165   2HB   LEU  28          2HB       LEU  28   6.631   6.959   0.025
  166    HG   LEU  28           HG       LEU  28   7.511   5.010  -1.222
  167   1HD1  LEU  28          3HD1      LEU  28   4.860   3.748  -0.412
  168   2HD1  LEU  28          1HD1      LEU  28   5.830   3.182  -1.788
  169   3HD1  LEU  28          2HD1      LEU  28   6.494   3.084  -0.165
  170   1HD2  LEU  28          3HD2      LEU  28   6.191   6.755  -2.363
  171   2HD2  LEU  28          1HD2      LEU  28   5.879   5.167  -3.079
  172   3HD2  LEU  28          2HD2      LEU  28   4.686   5.890  -1.983
  173    H    ASN  29           H        ASN  29   5.247   6.569   2.811
  174    HA   ASN  29           HA       ASN  29   6.721   8.762   4.149
  175   1HB   ASN  29          1HB       ASN  29   3.863   7.767   4.472
  176   2HB   ASN  29          2HB       ASN  29   4.475   9.333   5.014
  177   1HD2  ASN  29          1HD2      ASN  29   2.716   9.518   1.634
  178   2HD2  ASN  29          2HD2      ASN  29   2.250   8.541   3.036
  179    HA   PRO  30           HA       PRO  30   5.679   6.089   7.982
  180   1HB   PRO  30          2HB       PRO  30   4.205   8.456   9.146
  181   2HB   PRO  30          1HB       PRO  30   5.271   7.276   9.956
  182   1HG   PRO  30          1HG       PRO  30   6.196   9.762   9.366
  183   2HG   PRO  30          2HG       PRO  30   7.227   8.339   9.045
  184   1HD   PRO  30          2HD       PRO  30   5.465   9.836   7.070
  185   2HD   PRO  30          1HD       PRO  30   7.182   9.382   6.901
  186    H    TYR  31           H        TYR  31   3.133   8.532   7.205
  187    HA   TYR  31           HA       TYR  31   0.945   6.679   7.271
  188   1HB   TYR  31          1HB       TYR  31   1.217   9.531   6.291
  189   2HB   TYR  31          2HB       TYR  31  -0.301   8.645   6.250
  190    HD1  TYR  31           HD2      TYR  31   2.225  10.168   8.525
  191    HD2  TYR  31           HD1      TYR  31  -1.521   8.020   8.281
  192    HE1  TYR  31           HE2      TYR  31   1.843  10.527  10.964
  193    HE2  TYR  31           HE1      TYR  31  -1.881   8.385  10.714
  194    HH   TYR  31           HH       TYR  31  -1.039   9.241  12.611
  195    H    TYR  32           H        TYR  32   1.822   5.031   5.919
  196    HA   TYR  32           HA       TYR  32   0.235   4.795   3.589
  197   1HB   TYR  32          2HB       TYR  32   2.593   6.096   2.898
  198   2HB   TYR  32          1HB       TYR  32   3.115   4.466   2.749
  199    HD1  TYR  32           HD2      TYR  32   1.944   2.945   1.059
  200    HD2  TYR  32           HD1      TYR  32   1.311   7.200   1.147
  201    HE1  TYR  32           HE2      TYR  32   0.806   2.815  -1.133
  202    HE2  TYR  32           HE1      TYR  32   0.637   7.104  -1.257
  203    HH   TYR  32           HH       TYR  32  -0.005   4.045  -2.927
  204    H    SER  33           H        SER  33   0.657   2.572   2.531
  205    HA   SER  33           HA       SER  33   3.082   1.473   2.908
  206   1HB   SER  33          1HB       SER  33   2.551   0.484   5.056
  207   2HB   SER  33          2HB       SER  33   1.215  -0.434   4.332
  208    HG   SER  33           HG       SER  33   3.926  -0.617   3.430
  209    H    GLN  34           H        GLN  34   3.654   0.526   1.094
  210    HA   GLN  34           HA       GLN  34   1.507   0.310  -0.969
  211   1HB   GLN  34          1HB       GLN  34   3.159   2.275  -0.912
  212   2HB   GLN  34          2HB       GLN  34   4.393   1.137  -1.331
  213   1HG   GLN  34          1HG       GLN  34   2.428   0.600  -3.278
  214   2HG   GLN  34          2HG       GLN  34   2.151   2.302  -2.975
  215   1HE2  GLN  34          2HE2      GLN  34   4.815   3.020  -5.175
  216   2HE2  GLN  34          1HE2      GLN  34   3.233   3.517  -4.556
  217    H    CYS  35           H        CYS  35   4.449  -0.506  -2.316
  218    HA   CYS  35           HA       CYS  35   3.741  -3.375  -2.650
  219   1HB   CYS  35          1HB       CYS  35   2.301  -1.689  -3.980
  220   2HB   CYS  35          2HB       CYS  35   3.774  -1.173  -4.784
  221    H    LEU  36           H        LEU  36   5.970  -3.235  -1.476
  222    HA   LEU  36           HA       LEU  36   8.136  -3.385  -3.449
  223   1HB   LEU  36          1HB       LEU  36   9.185  -1.887  -1.155
  224   2HB   LEU  36          2HB       LEU  36   9.427  -1.713  -2.875
  225    HG   LEU  36           HG       LEU  36   7.136  -0.462  -2.898
  226   1HD1  LEU  36          2HD1      LEU  36   6.562  -1.159  -0.471
  227   2HD1  LEU  36          3HD1      LEU  36   7.882  -0.090   0.041
  228   3HD1  LEU  36          1HD1      LEU  36   6.482   0.582  -0.794
  229   1HD2  LEU  36          3HD2      LEU  36   9.303   0.645  -3.256
  230   2HD2  LEU  36          1HD2      LEU  36   8.224   1.653  -2.281
  231   3HD2  LEU  36          2HD2      LEU  36   9.552   0.769  -1.500
   
  No H/Q in entry =         231
  Start of MODEL    9
    1   1H    THR   1          2H        THR   1  -3.369  -5.797 -14.140
    2   2H    THR   1          3H        THR   1  -1.796  -6.257 -14.344
    3   3H    THR   1          1H        THR   1  -2.960  -7.382 -14.057
    4    HA   THR   1           HA       THR   1  -1.713  -7.037 -12.046
    5    HB   THR   1           HB       THR   1  -0.833  -4.840 -12.421
    6    HG1  THR   1           HG1      THR   1  -2.216  -4.030 -10.273
    7   1HG2  THR   1          2HG2      THR   1  -2.708  -3.714 -13.600
    8   2HG2  THR   1          3HG2      THR   1  -3.644  -3.675 -12.086
    9   3HG2  THR   1          1HG2      THR   1  -2.129  -2.778 -12.222
   10    H    GLN   2           H        GLN   2  -2.836  -7.832 -10.236
   11    HA   GLN   2           HA       GLN   2  -5.745  -7.420 -10.005
   12   1HB   GLN   2          2HB       GLN   2  -4.506  -9.611  -9.567
   13   2HB   GLN   2          1HB       GLN   2  -3.830  -8.861  -8.129
   14   1HG   GLN   2          1HG       GLN   2  -5.722 -10.138  -7.434
   15   2HG   GLN   2          2HG       GLN   2  -6.250  -8.462  -7.328
   16   1HE2  GLN   2          2HE2      GLN   2  -8.829  -9.037  -9.715
   17   2HE2  GLN   2          1HE2      GLN   2  -8.079  -7.827  -8.662
   18    H    SER   3           H        SER   3  -5.059  -4.962  -9.958
   19    HA   SER   3           HA       SER   3  -4.034  -3.868  -7.450
   20   1HB   SER   3          1HB       SER   3  -5.305  -2.553  -9.870
   21   2HB   SER   3          2HB       SER   3  -4.697  -1.667  -8.471
   22    HG   SER   3           HG       SER   3  -2.730  -1.946  -9.122
   23    H    HIS   4           H        HIS   4  -5.546  -5.190  -6.223
   24    HA   HIS   4           HA       HIS   4  -7.977  -3.685  -5.331
   25   1HB   HIS   4          1HB       HIS   4  -7.842  -6.683  -5.926
   26   2HB   HIS   4          2HB       HIS   4  -9.219  -5.820  -5.232
   27    HD2  HIS   4           HD2      HIS   4 -10.607  -4.127  -7.031
   28    HE1  HIS   4           HE1      HIS   4  -8.682  -5.631 -10.492
   29    HE2  HIS   4           HE2      HIS   4 -10.606  -4.176  -9.660
   30    H    ALA   5           H        ALA   5  -6.189  -6.691  -4.536
   31    HA   ALA   5           HA       ALA   5  -6.102  -6.071  -1.652
   32   1HB   ALA   5          2HB       ALA   5  -6.506  -8.362  -2.432
   33   2HB   ALA   5          3HB       ALA   5  -4.910  -8.397  -3.205
   34   3HB   ALA   5          1HB       ALA   5  -5.053  -8.231  -1.442
   35    H    GLY   6           H        GLY   6  -4.751  -4.412  -1.157
   36   1HA   GLY   6          1HA       GLY   6  -1.883  -4.431  -2.081
   37   2HA   GLY   6          2HA       GLY   6  -2.900  -3.038  -2.393
   38    H    GLN   7           H        GLN   7  -3.196  -1.523  -0.741
   39    HA   GLN   7           HA       GLN   7  -1.161  -1.352   1.205
   40   1HB   GLN   7          1HB       GLN   7  -2.437   0.562   0.125
   41   2HB   GLN   7          2HB       GLN   7  -3.772   0.185   1.236
   42   1HG   GLN   7          2HG       GLN   7  -2.199   0.522   3.178
   43   2HG   GLN   7          1HG       GLN   7  -0.992   1.093   2.017
   44   1HE2  GLN   7          2HE2      GLN   7  -2.358   4.193   3.095
   45   2HE2  GLN   7          1HE2      GLN   7  -1.189   2.980   3.636
   46    H    CYS   8           H        CYS   8  -1.023  -2.982   2.714
   47    HA   CYS   8           HA       CYS   8  -2.815  -4.185   4.430
   48   1HB   CYS   8          2HB       CYS   8  -0.939  -4.106   6.112
   49   2HB   CYS   8          1HB       CYS   8  -0.454  -4.647   4.509
   50    H    GLY   9           H        GLY   9  -1.599  -0.914   4.791
   51   1HA   GLY   9          1HA       GLY   9  -3.335   0.693   5.790
   52   2HA   GLY   9          2HA       GLY   9  -3.241  -0.331   7.228
   53    H    GLY  10           H        GLY  10  -2.241   2.501   6.300
   54   1HA   GLY  10          1HA       GLY  10   0.663   2.337   7.184
   55   2HA   GLY  10          2HA       GLY  10  -0.025   3.523   6.085
   56    H    ILE  11           H        ILE  11   0.427   5.380   7.275
   57    HA   ILE  11           HA       ILE  11  -0.567   5.583  10.110
   58    HB   ILE  11           HB       ILE  11   1.308   7.416   8.627
   59   1HG1  ILE  11          2HG1      ILE  11   1.727   5.303  10.808
   60   2HG1  ILE  11          1HG1      ILE  11   2.288   5.197   9.137
   61   1HG2  ILE  11          2HG2      ILE  11  -0.089   8.602  10.328
   62   2HG2  ILE  11          3HG2      ILE  11   0.393   7.404  11.543
   63   3HG2  ILE  11          1HG2      ILE  11   1.586   8.509  10.834
   64   1HD1  ILE  11          2HD1      ILE  11   3.751   7.187   9.530
   65   2HD1  ILE  11          3HD1      ILE  11   3.311   7.115  11.254
   66   3HD1  ILE  11          1HD1      ILE  11   4.157   5.761  10.498
   67    H    GLY  12           H        GLY  12  -2.664   5.976  10.111
   68   1HA   GLY  12          1HA       GLY  12  -4.678   7.104   9.901
   69   2HA   GLY  12          2HA       GLY  12  -3.863   8.422   9.061
   70    H    TYR  13           H        TYR  13  -4.343   4.918   8.312
   71    HA   TYR  13           HA       TYR  13  -5.892   5.420   5.899
   72   1HB   TYR  13          1HB       TYR  13  -3.037   5.763   5.797
   73   2HB   TYR  13          2HB       TYR  13  -3.337   4.238   5.040
   74    HD1  TYR  13           HD1      TYR  13  -5.735   4.447   3.454
   75    HD2  TYR  13           HD2      TYR  13  -2.712   7.451   4.219
   76    HE1  TYR  13           HE1      TYR  13  -6.255   5.549   1.286
   77    HE2  TYR  13           HE2      TYR  13  -3.134   8.430   1.976
   78    HH   TYR  13           HH       TYR  13  -4.325   8.281   0.066
   79    H    SER  14           H        SER  14  -7.135   3.683   5.602
   80    HA   SER  14           HA       SER  14  -6.224   0.933   6.427
   81   1HB   SER  14          1HB       SER  14  -9.067   2.020   6.555
   82   2HB   SER  14          2HB       SER  14  -8.438   0.485   7.200
   83    HG   SER  14           HG       SER  14  -8.540   1.988   8.886
   84    H    GLY  15           H        GLY  15  -7.742   2.712   3.812
   85   1HA   GLY  15          2HA       GLY  15  -8.873   0.325   2.483
   86   2HA   GLY  15          1HA       GLY  15  -8.990   1.993   1.970
   87    HA   PRO  16           HA       PRO  16  -5.220  -0.465  -0.128
   88   1HB   PRO  16          2HB       PRO  16  -7.464  -1.359  -1.937
   89   2HB   PRO  16          1HB       PRO  16  -5.825  -2.056  -1.757
   90   1HG   PRO  16          2HG       PRO  16  -7.828  -3.139  -0.323
   91   2HG   PRO  16          1HG       PRO  16  -6.303  -2.730   0.522
   92   1HD   PRO  16          1HD       PRO  16  -8.891  -1.146   0.508
   93   2HD   PRO  16          2HD       PRO  16  -7.771  -1.522   1.857
   94    H    THR  17           H        THR  17  -4.864   1.964  -0.253
   95    HA   THR  17           HA       THR  17  -5.736   3.312  -2.696
   96    HB   THR  17           HB       THR  17  -5.230   4.354  -0.426
   97    HG1  THR  17           HG1      THR  17  -4.873   6.258  -1.404
   98   1HG2  THR  17          2HG2      THR  17  -2.727   3.507  -0.416
   99   2HG2  THR  17          3HG2      THR  17  -2.445   4.895  -1.463
  100   3HG2  THR  17          1HG2      THR  17  -3.107   5.139   0.146
  101    H    VAL  18           H        VAL  18  -4.913   1.192  -3.679
  102    HA   VAL  18           HA       VAL  18  -2.132   0.586  -3.564
  103    HB   VAL  18           HB       VAL  18  -3.901  -1.046  -3.376
  104   1HG1  VAL  18          2HG1      VAL  18  -5.510  -0.117  -5.036
  105   2HG1  VAL  18          3HG1      VAL  18  -4.449  -0.662  -6.343
  106   3HG1  VAL  18          1HG1      VAL  18  -5.220  -1.845  -5.264
  107   1HG2  VAL  18          3HG2      VAL  18  -1.654  -1.841  -4.100
  108   2HG2  VAL  18          1HG2      VAL  18  -2.971  -2.864  -4.714
  109   3HG2  VAL  18          2HG2      VAL  18  -2.179  -1.714  -5.791
  110    H    CYS  19           H        CYS  19  -0.521   0.367  -5.003
  111    HA   CYS  19           HA       CYS  19  -0.501   1.870  -7.522
  112   1HB   CYS  19          1HB       CYS  19   1.844   1.323  -7.527
  113   2HB   CYS  19          2HB       CYS  19   1.404   1.815  -5.907
  114    H    ALA  20           H        ALA  20   1.372  -0.476  -8.532
  115    HA   ALA  20           HA       ALA  20  -0.431  -2.344  -9.816
  116   1HB   ALA  20          2HB       ALA  20   1.918  -2.046 -10.516
  117   2HB   ALA  20          3HB       ALA  20   2.476  -2.611  -8.928
  118   3HB   ALA  20          1HB       ALA  20   1.617  -3.720 -10.013
  119    H    SER  21           H        SER  21  -0.491  -4.683  -9.116
  120    HA   SER  21           HA       SER  21  -1.544  -5.006  -6.460
  121   1HB   SER  21          1HB       SER  21  -2.064  -6.372  -8.534
  122   2HB   SER  21          2HB       SER  21  -0.529  -7.217  -8.283
  123    HG   SER  21           HG       SER  21  -2.842  -7.162  -6.603
  124    H    GLY  22           H        GLY  22  -0.772  -6.528  -4.817
  125   1HA   GLY  22          1HA       GLY  22   1.964  -7.367  -4.527
  126   2HA   GLY  22          2HA       GLY  22   1.794  -5.765  -3.801
  127    H    THR  23           H        THR  23  -0.879  -6.160  -2.802
  128    HA   THR  23           HA       THR  23  -1.870  -6.611  -0.825
  129    HB   THR  23           HB       THR  23  -2.553  -8.441  -2.333
  130    HG1  THR  23           HG1      THR  23  -2.293  -9.167   0.383
  131   1HG2  THR  23          3HG2      THR  23  -0.467 -10.115  -0.870
  132   2HG2  THR  23          1HG2      THR  23  -1.741 -10.749  -1.925
  133   3HG2  THR  23          2HG2      THR  23  -0.473  -9.722  -2.603
  134    H    THR  24           H        THR  24   1.050  -6.274  -0.390
  135    HA   THR  24           HA       THR  24   1.241  -7.378   2.380
  136    HB   THR  24           HB       THR  24   3.652  -7.969   1.943
  137    HG1  THR  24           HG1      THR  24   2.892  -7.714  -0.780
  138   1HG2  THR  24          2HG2      THR  24   1.831  -9.699   1.829
  139   2HG2  THR  24          3HG2      THR  24   1.706  -9.410   0.090
  140   3HG2  THR  24          1HG2      THR  24   3.207 -10.047   0.763
  141    H    CYS  25           H        CYS  25   3.469  -6.423   3.380
  142    HA   CYS  25           HA       CYS  25   2.705  -3.532   3.476
  143   1HB   CYS  25          1HB       CYS  25   1.889  -5.403   5.145
  144   2HB   CYS  25          2HB       CYS  25   3.487  -5.241   5.854
  145    H    GLN  26           H        GLN  26   4.555  -2.682   2.272
  146    HA   GLN  26           HA       GLN  26   6.925  -2.443   4.093
  147   1HB   GLN  26          1HB       GLN  26   7.327  -3.926   2.060
  148   2HB   GLN  26          2HB       GLN  26   7.338  -2.446   1.096
  149   1HG   GLN  26          2HG       GLN  26   9.134  -1.568   2.667
  150   2HG   GLN  26          1HG       GLN  26   9.100  -3.100   3.532
  151   1HE2  GLN  26          1HE2      GLN  26  10.674  -4.816   0.709
  152   2HE2  GLN  26          2HE2      GLN  26   9.286  -5.106   1.776
  153    H    VAL  27           H        VAL  27   7.371  -0.417   1.365
  154    HA   VAL  27           HA       VAL  27   5.936   1.860   2.455
  155    HB   VAL  27           HB       VAL  27   7.595   1.624   4.219
  156   1HG1  VAL  27          3HG2      VAL  27   9.444   0.592   2.810
  157   2HG1  VAL  27          1HG2      VAL  27   9.814   2.219   2.228
  158   3HG1  VAL  27          2HG2      VAL  27   9.947   1.841   3.953
  159   1HG2  VAL  27          2HG1      VAL  27   6.793   3.852   3.695
  160   2HG2  VAL  27          3HG1      VAL  27   8.484   3.896   4.236
  161   3HG2  VAL  27          1HG1      VAL  27   8.109   4.090   2.519
  162    H    LEU  28           H        LEU  28   5.444   3.190   0.847
  163    HA   LEU  28           HA       LEU  28   7.308   3.674  -1.452
  164   1HB   LEU  28          1HB       LEU  28   4.571   4.905  -0.863
  165   2HB   LEU  28          2HB       LEU  28   5.587   5.189  -2.261
  166    HG   LEU  28           HG       LEU  28   5.399   2.590  -2.636
  167   1HD1  LEU  28          1HD2      LEU  28   3.027   3.153  -0.803
  168   2HD1  LEU  28          2HD2      LEU  28   3.108   1.774  -1.897
  169   3HD1  LEU  28          3HD2      LEU  28   4.266   1.915  -0.580
  170   1HD2  LEU  28          3HD1      LEU  28   3.161   4.595  -3.109
  171   2HD2  LEU  28          1HD1      LEU  28   4.504   4.228  -4.188
  172   3HD2  LEU  28          2HD1      LEU  28   3.241   3.020  -3.911
  173    H    ASN  29           H        ASN  29   5.488   5.758   0.732
  174    HA   ASN  29           HA       ASN  29   7.949   7.153   1.662
  175   1HB   ASN  29          1HB       ASN  29   5.173   8.417   1.399
  176   2HB   ASN  29          2HB       ASN  29   6.628   9.216   1.997
  177   1HD2  ASN  29          1HD2      ASN  29   8.003   9.253  -1.444
  178   2HD2  ASN  29          2HD2      ASN  29   8.573   8.500   0.041
  179    HA   PRO  30           HA       PRO  30   7.283   5.639   5.689
  180   1HB   PRO  30          2HB       PRO  30   6.693   8.508   6.512
  181   2HB   PRO  30          1HB       PRO  30   7.570   7.258   7.436
  182   1HG   PRO  30          2HG       PRO  30   9.006   8.986   5.949
  183   2HG   PRO  30          1HG       PRO  30   9.369   7.244   5.826
  184   1HD   PRO  30          2HD       PRO  30   7.795   8.963   3.920
  185   2HD   PRO  30          1HD       PRO  30   8.980   7.676   3.564
  186    H    TYR  31           H        TYR  31   4.680   8.138   5.317
  187    HA   TYR  31           HA       TYR  31   2.822   6.695   6.956
  188   1HB   TYR  31          2HB       TYR  31   2.401   8.939   4.941
  189   2HB   TYR  31          1HB       TYR  31   1.112   8.222   5.895
  190    HD1  TYR  31           HD1      TYR  31   4.375   8.698   7.657
  191    HD2  TYR  31           HD2      TYR  31   0.481  10.385   6.774
  192    HE1  TYR  31           HE1      TYR  31   4.788  10.508   9.272
  193    HE2  TYR  31           HE2      TYR  31   0.883  12.131   8.508
  194    HH   TYR  31           HH       TYR  31   4.009  12.399  10.197
  195    H    TYR  32           H        TYR  32   3.594   6.157   3.607
  196    HA   TYR  32           HA       TYR  32   1.067   4.657   3.129
  197   1HB   TYR  32          2HB       TYR  32   1.394   6.593   1.707
  198   2HB   TYR  32          1HB       TYR  32   2.942   5.970   1.178
  199    HD1  TYR  32           HD1      TYR  32   0.538   3.216   1.433
  200    HD2  TYR  32           HD2      TYR  32   1.839   6.480  -1.092
  201    HE1  TYR  32           HE1      TYR  32  -0.401   2.081  -0.556
  202    HE2  TYR  32           HE2      TYR  32   0.827   5.327  -3.061
  203    HH   TYR  32           HH       TYR  32  -0.816   3.250  -3.443
  204    H    SER  33           H        SER  33   1.643   2.729   4.009
  205    HA   SER  33           HA       SER  33   3.879   1.103   3.039
  206   1HB   SER  33          1HB       SER  33   3.165   1.024   5.398
  207   2HB   SER  33          2HB       SER  33   1.591   0.366   4.897
  208    HG   SER  33           HG       SER  33   4.166  -0.807   4.663
  209    H    GLN  34           H        GLN  34   3.703   0.444   0.981
  210    HA   GLN  34           HA       GLN  34   2.205  -1.856   0.390
  211   1HB   GLN  34          1HB       GLN  34   0.379  -0.181  -0.013
  212   2HB   GLN  34          2HB       GLN  34   1.368   0.605  -1.209
  213   1HG   GLN  34          1HG       GLN  34  -0.635  -1.210  -1.699
  214   2HG   GLN  34          2HG       GLN  34   0.599  -0.744  -2.833
  215   1HE2  GLN  34          2HE2      GLN  34   1.198  -4.379  -1.078
  216   2HE2  GLN  34          1HE2      GLN  34   0.435  -3.190  -0.059
  217    H    CYS  35           H        CYS  35   2.537  -1.069  -2.635
  218    HA   CYS  35           HA       CYS  35   3.994  -1.998  -4.057
  219   1HB   CYS  35          1HB       CYS  35   3.848   0.784  -3.780
  220   2HB   CYS  35          2HB       CYS  35   5.547   0.486  -4.091
  221    H    LEU  36           H        LEU  36   5.515  -3.427  -4.314
  222    HA   LEU  36           HA       LEU  36   8.143  -3.254  -2.991
  223   1HB   LEU  36          1HB       LEU  36   6.533  -5.834  -3.091
  224   2HB   LEU  36          2HB       LEU  36   8.050  -5.489  -2.274
  225    HG   LEU  36           HG       LEU  36   6.570  -3.772  -0.866
  226   1HD1  LEU  36          3HD1      LEU  36   4.501  -5.828  -1.809
  227   2HD1  LEU  36          1HD1      LEU  36   4.274  -4.710  -0.452
  228   3HD1  LEU  36          2HD1      LEU  36   4.408  -4.087  -2.097
  229   1HD2  LEU  36          2HD2      LEU  36   6.472  -6.798  -0.483
  230   2HD2  LEU  36          3HD2      LEU  36   7.758  -5.711   0.076
  231   3HD2  LEU  36          1HD2      LEU  36   6.130  -5.595   0.777
   
  No H/Q in entry =         231
  Start of MODEL   10
    1   1H    THR   1          2H        THR   1  -3.990  -4.146  -8.120
    2   2H    THR   1          3H        THR   1  -4.065  -3.689  -9.698
    3   3H    THR   1          1H        THR   1  -4.789  -2.822  -8.527
    4    HA   THR   1           HA       THR   1  -6.505  -4.006  -9.678
    5    HB   THR   1           HB       THR   1  -5.131  -5.771 -10.680
    6    HG1  THR   1           HG1      THR   1  -6.653  -7.493 -10.244
    7   1HG2  THR   1          2HG2      THR   1  -3.705  -6.366  -8.700
    8   2HG2  THR   1          3HG2      THR   1  -5.109  -7.129  -7.933
    9   3HG2  THR   1          1HG2      THR   1  -4.463  -7.779  -9.446
   10    H    GLN   2           H        GLN   2  -8.459  -4.793  -8.585
   11    HA   GLN   2           HA       GLN   2  -8.293  -4.546  -5.654
   12   1HB   GLN   2          2HB       GLN   2 -10.039  -3.492  -7.284
   13   2HB   GLN   2          1HB       GLN   2 -10.844  -5.052  -7.190
   14   1HG   GLN   2          1HG       GLN   2 -10.126  -3.176  -4.865
   15   2HG   GLN   2          2HG       GLN   2 -11.719  -3.380  -5.587
   16   1HE2  GLN   2          2HE2      GLN   2 -10.515  -6.103  -2.853
   17   2HE2  GLN   2          1HE2      GLN   2  -9.329  -4.915  -3.393
   18    H    SER   3           H        SER   3  -6.869  -6.453  -5.774
   19    HA   SER   3           HA       SER   3  -8.043  -8.763  -4.519
   20   1HB   SER   3          1HB       SER   3  -7.106  -9.091  -7.410
   21   2HB   SER   3          2HB       SER   3  -7.067 -10.438  -6.260
   22    HG   SER   3           HG       SER   3  -9.456  -8.976  -6.522
   23    H    HIS   4           H        HIS   4  -5.073  -9.005  -6.499
   24    HA   HIS   4           HA       HIS   4  -3.210  -8.802  -4.321
   25   1HB   HIS   4          1HB       HIS   4  -2.765  -8.274  -7.273
   26   2HB   HIS   4          2HB       HIS   4  -1.546  -8.658  -6.052
   27    HD2  HIS   4           HD2      HIS   4  -1.135 -11.334  -5.651
   28    HE1  HIS   4           HE1      HIS   4  -4.449 -12.719  -7.905
   29    HE2  HIS   4           HE2      HIS   4  -2.376 -13.451  -6.614
   30    H    ALA   5           H        ALA   5  -4.043  -7.020  -3.164
   31    HA   ALA   5           HA       ALA   5  -4.494  -4.439  -4.352
   32   1HB   ALA   5          2HB       ALA   5  -6.002  -5.459  -2.733
   33   2HB   ALA   5          3HB       ALA   5  -4.738  -5.416  -1.486
   34   3HB   ALA   5          1HB       ALA   5  -5.406  -3.902  -2.129
   35    H    GLY   6           H        GLY   6  -2.123  -4.231  -4.988
   36   1HA   GLY   6          1HA       GLY   6   0.126  -3.614  -4.228
   37   2HA   GLY   6          2HA       GLY   6  -0.751  -2.221  -4.837
   38    H    GLN   7           H        GLN   7  -1.479  -0.567  -3.272
   39    HA   GLN   7           HA       GLN   7   0.213  -0.424  -0.859
   40   1HB   GLN   7          1HB       GLN   7   0.074   1.523  -2.320
   41   2HB   GLN   7          2HB       GLN   7  -1.668   1.594  -2.075
   42   1HG   GLN   7          2HG       GLN   7  -1.338   2.043   0.350
   43   2HG   GLN   7          1HG       GLN   7   0.404   2.014   0.112
   44   1HE2  GLN   7          2HE2      GLN   7  -0.817   5.547   0.030
   45   2HE2  GLN   7          1HE2      GLN   7  -1.218   4.248   1.152
   46    H    CYS   8           H        CYS   8  -0.768  -2.220   0.214
   47    HA   CYS   8           HA       CYS   8  -3.187  -2.954   0.965
   48   1HB   CYS   8          2HB       CYS   8  -2.293  -3.616   3.204
   49   2HB   CYS   8          1HB       CYS   8  -1.212  -4.018   1.865
   50    H    GLY   9           H        GLY   9  -1.812  -0.078   2.543
   51   1HA   GLY   9          1HA       GLY   9  -3.210   1.776   3.295
   52   2HA   GLY   9          2HA       GLY   9  -4.499   0.658   3.694
   53    H    GLY  10           H        GLY  10  -1.188   1.595   4.612
   54   1HA   GLY  10          1HA       GLY  10  -1.496   0.470   7.367
   55   2HA   GLY  10          2HA       GLY  10  -0.006   0.926   6.568
   56    H    ILE  11           H        ILE  11   0.918   2.734   7.485
   57    HA   ILE  11           HA       ILE  11  -0.469   3.931   9.675
   58    HB   ILE  11           HB       ILE  11   2.182   4.733   8.509
   59   1HG1  ILE  11          2HG1      ILE  11   1.540   2.807  10.799
   60   2HG1  ILE  11          1HG1      ILE  11   2.005   2.290   9.178
   61   1HG2  ILE  11          2HG2      ILE  11   1.197   6.456  10.044
   62   2HG2  ILE  11          3HG2      ILE  11   0.953   5.203  11.274
   63   3HG2  ILE  11          1HG2      ILE  11   2.589   5.694  10.795
   64   1HD1  ILE  11          2HD1      ILE  11   4.183   3.380   9.389
   65   2HD1  ILE  11          3HD1      ILE  11   3.801   3.853  11.057
   66   3HD1  ILE  11          1HD1      ILE  11   3.917   2.144  10.618
   67    H    GLY  12           H        GLY  12  -1.972   5.429   9.602
   68   1HA   GLY  12          1HA       GLY  12  -3.336   7.146   8.990
   69   2HA   GLY  12          2HA       GLY  12  -1.954   8.024   8.378
   70    H    TYR  13           H        TYR  13  -3.175   4.873   7.244
   71    HA   TYR  13           HA       TYR  13  -4.800   6.027   5.102
   72   1HB   TYR  13          1HB       TYR  13  -2.223   4.520   4.608
   73   2HB   TYR  13          2HB       TYR  13  -3.566   4.204   3.541
   74    HD1  TYR  13           HD2      TYR  13  -4.873   6.333   2.609
   75    HD2  TYR  13           HD1      TYR  13  -0.740   6.290   3.887
   76    HE1  TYR  13           HE2      TYR  13  -4.356   8.168   1.018
   77    HE2  TYR  13           HE1      TYR  13  -0.229   8.088   2.229
   78    HH   TYR  13           HH       TYR  13  -2.773   9.561   0.232
   79    H    SER  14           H        SER  14  -6.204   4.488   4.092
   80    HA   SER  14           HA       SER  14  -6.501   1.791   5.165
   81   1HB   SER  14          1HB       SER  14  -8.784   3.680   5.931
   82   2HB   SER  14          2HB       SER  14  -8.513   1.996   6.407
   83    HG   SER  14           HG       SER  14  -6.501   2.951   7.431
   84    H    GLY  15           H        GLY  15  -8.038   4.464   3.373
   85   1HA   GLY  15          1HA       GLY  15  -9.960   2.891   2.007
   86   2HA   GLY  15          2HA       GLY  15  -9.423   4.502   1.522
   87    HA   PRO  16           HA       PRO  16  -8.098   0.891  -1.326
   88   1HB   PRO  16          2HB       PRO  16  -9.980   2.181  -3.311
   89   2HB   PRO  16          1HB       PRO  16  -9.646   0.454  -3.028
   90   1HG   PRO  16          2HG       PRO  16 -11.885   1.568  -2.018
   91   2HG   PRO  16          1HG       PRO  16 -10.891   0.537  -0.946
   92   1HD   PRO  16          2HD       PRO  16 -10.802   3.581  -1.151
   93   2HD   PRO  16          1HD       PRO  16 -11.073   2.562   0.272
   94    H    THR  17           H        THR  17  -6.130   2.530  -1.042
   95    HA   THR  17           HA       THR  17  -5.375   3.979  -3.463
   96    HB   THR  17           HB       THR  17  -3.135   4.115  -2.492
   97    HG1  THR  17           HG1      THR  17  -4.194   2.263  -0.641
   98   1HG2  THR  17          2HG2      THR  17  -4.930   5.717  -1.798
   99   2HG2  THR  17          3HG2      THR  17  -5.281   4.678  -0.400
  100   3HG2  THR  17          1HG2      THR  17  -3.688   5.440  -0.562
  101    H    VAL  18           H        VAL  18  -6.263   1.872  -4.633
  102    HA   VAL  18           HA       VAL  18  -4.551  -0.425  -4.522
  103    HB   VAL  18           HB       VAL  18  -6.892  -0.601  -4.352
  104   1HG1  VAL  18          2HG1      VAL  18  -7.612   1.178  -5.972
  105   2HG1  VAL  18          3HG1      VAL  18  -7.209   0.087  -7.306
  106   3HG1  VAL  18          1HG1      VAL  18  -8.470  -0.355  -6.149
  107   1HG2  VAL  18          3HG2      VAL  18  -5.603  -2.542  -5.118
  108   2HG2  VAL  18          1HG2      VAL  18  -7.238  -2.535  -5.802
  109   3HG2  VAL  18          2HG2      VAL  18  -5.860  -2.079  -6.807
  110    H    CYS  19           H        CYS  19  -2.591   0.060  -5.464
  111    HA   CYS  19           HA       CYS  19  -2.244   0.303  -8.373
  112   1HB   CYS  19          1HB       CYS  19  -0.706   1.439  -7.072
  113   2HB   CYS  19          2HB       CYS  19  -0.503   0.124  -5.930
  114    H    ALA  20           H        ALA  20  -0.498  -1.320  -9.346
  115    HA   ALA  20           HA       ALA  20  -1.593  -3.779 -10.019
  116   1HB   ALA  20          2HB       ALA  20   0.085  -2.475 -11.282
  117   2HB   ALA  20          3HB       ALA  20   1.315  -2.872 -10.068
  118   3HB   ALA  20          1HB       ALA  20   0.612  -4.144 -11.080
  119    H    SER  21           H        SER  21   0.070  -5.814  -9.966
  120    HA   SER  21           HA       SER  21  -0.515  -6.925  -7.347
  121   1HB   SER  21          1HB       SER  21   0.543  -8.336  -9.827
  122   2HB   SER  21          2HB       SER  21  -0.273  -9.057  -8.435
  123    HG   SER  21           HG       SER  21  -2.058  -7.587  -8.930
  124    H    GLY  22           H        GLY  22   0.909  -7.125  -5.757
  125   1HA   GLY  22          1HA       GLY  22   3.410  -8.563  -6.141
  126   2HA   GLY  22          2HA       GLY  22   3.665  -6.930  -5.517
  127    H    THR  23           H        THR  23   2.836  -6.508  -3.344
  128    HA   THR  23           HA       THR  23   0.816  -6.418  -2.161
  129    HB   THR  23           HB       THR  23   0.449  -9.380  -1.829
  130    HG1  THR  23           HG1      THR  23   0.428  -8.855  -4.067
  131   1HG2  THR  23          3HG2      THR  23  -1.432  -6.964  -1.877
  132   2HG2  THR  23          1HG2      THR  23  -1.961  -8.642  -1.699
  133   3HG2  THR  23          2HG2      THR  23  -1.002  -7.887  -0.419
  134    H    THR  24           H        THR  24   3.542  -6.442  -1.433
  135    HA   THR  24           HA       THR  24   3.639  -7.522   1.320
  136    HB   THR  24           HB       THR  24   5.905  -6.694   1.390
  137    HG1  THR  24           HG1      THR  24   5.397  -5.702  -1.220
  138   1HG2  THR  24          2HG2      THR  24   5.556  -8.917   0.339
  139   2HG2  THR  24          3HG2      THR  24   5.388  -8.136  -1.252
  140   3HG2  THR  24          1HG2      THR  24   6.927  -8.050  -0.386
  141    H    CYS  25           H        CYS  25   2.835  -6.365   2.982
  142    HA   CYS  25           HA       CYS  25   2.148  -3.560   2.711
  143   1HB   CYS  25          1HB       CYS  25   0.868  -5.432   3.916
  144   2HB   CYS  25          2HB       CYS  25   1.954  -5.139   5.279
  145    H    GLN  26           H        GLN  26   4.347  -3.053   2.154
  146    HA   GLN  26           HA       GLN  26   6.624  -2.800   3.817
  147   1HB   GLN  26          1HB       GLN  26   6.595  -2.840   1.359
  148   2HB   GLN  26          2HB       GLN  26   5.575  -1.417   1.305
  149   1HG   GLN  26          2HG       GLN  26   7.744  -0.905   0.509
  150   2HG   GLN  26          1HG       GLN  26   7.419   0.052   1.915
  151   1HE2  GLN  26          2HE2      GLN  26  10.024  -2.764   3.081
  152   2HE2  GLN  26          1HE2      GLN  26   8.334  -3.211   2.789
  153    H    VAL  27           H        VAL  27   7.767  -0.471   4.057
  154    HA   VAL  27           HA       VAL  27   5.917   1.737   4.334
  155    HB   VAL  27           HB       VAL  27   6.208   0.422   6.666
  156   1HG1  VAL  27          3HG2      VAL  27   8.663   0.693   6.783
  157   2HG1  VAL  27          1HG2      VAL  27   8.452   2.459   6.868
  158   3HG1  VAL  27          2HG2      VAL  27   7.810   1.420   8.150
  159   1HG2  VAL  27          2HG1      VAL  27   5.873   3.376   6.188
  160   2HG2  VAL  27          3HG1      VAL  27   4.643   2.141   6.463
  161   3HG2  VAL  27          1HG1      VAL  27   5.708   2.634   7.795
  162    H    LEU  28           H        LEU  28   6.814   3.715   3.868
  163    HA   LEU  28           HA       LEU  28   9.711   3.748   3.009
  164   1HB   LEU  28          1HB       LEU  28   7.685   5.604   1.740
  165   2HB   LEU  28          2HB       LEU  28   9.249   5.072   1.169
  166    HG   LEU  28           HG       LEU  28   6.685   3.416   1.278
  167   1HD1  LEU  28          3HD1      LEU  28   8.038   4.961  -0.989
  168   2HD1  LEU  28          1HD1      LEU  28   6.636   3.919  -1.186
  169   3HD1  LEU  28          2HD1      LEU  28   6.502   5.386  -0.213
  170   1HD2  LEU  28          2HD2      LEU  28   8.860   2.077   1.230
  171   2HD2  LEU  28          3HD2      LEU  28   7.811   1.842  -0.178
  172   3HD2  LEU  28          1HD2      LEU  28   9.242   2.877  -0.303
  173    H    ASN  29           H        ASN  29   7.240   6.237   3.413
  174    HA   ASN  29           HA       ASN  29   8.605   7.987   5.285
  175   1HB   ASN  29          1HB       ASN  29   5.623   7.486   4.881
  176   2HB   ASN  29          2HB       ASN  29   6.345   8.974   5.489
  177   1HD2  ASN  29          1HD2      ASN  29   5.282   9.195   1.842
  178   2HD2  ASN  29          2HD2      ASN  29   4.426   8.474   3.216
  179    HA   PRO  30           HA       PRO  30   6.694   5.673   8.958
  180   1HB   PRO  30          2HB       PRO  30   5.428   8.281   9.742
  181   2HB   PRO  30          1HB       PRO  30   6.374   7.146  10.729
  182   1HG   PRO  30          2HG       PRO  30   7.438   9.531   9.897
  183   2HG   PRO  30          1HG       PRO  30   8.432   8.047   9.948
  184   1HD   PRO  30          2HD       PRO  30   7.054   9.268   7.550
  185   2HD   PRO  30          1HD       PRO  30   8.735   8.677   7.685
  186    H    TYR  31           H        TYR  31   4.781   8.390   7.589
  187    HA   TYR  31           HA       TYR  31   2.320   6.915   7.361
  188   1HB   TYR  31          2HB       TYR  31   3.232   9.666   6.449
  189   2HB   TYR  31          1HB       TYR  31   1.604   9.061   6.202
  190    HD1  TYR  31           HD2      TYR  31   4.037  10.107   8.853
  191    HD2  TYR  31           HD1      TYR  31   0.030   8.800   7.960
  192    HE1  TYR  31           HE2      TYR  31   3.400  10.429  11.236
  193    HE2  TYR  31           HE1      TYR  31  -0.600   9.104  10.370
  194    HH   TYR  31           HH       TYR  31   1.787  10.203  12.775
  195    H    TYR  32           H        TYR  32   2.942   5.079   6.001
  196    HA   TYR  32           HA       TYR  32   1.752   5.388   3.480
  197   1HB   TYR  32          2HB       TYR  32   4.368   6.188   3.141
  198   2HB   TYR  32          1HB       TYR  32   4.578   4.503   2.910
  199    HD1  TYR  32           HD2      TYR  32   2.371   7.389   1.822
  200    HD2  TYR  32           HD1      TYR  32   4.225   3.647   0.699
  201    HE1  TYR  32           HE2      TYR  32   1.777   7.792  -0.561
  202    HE2  TYR  32           HE1      TYR  32   3.417   3.979  -1.639
  203    HH   TYR  32           HH       TYR  32   1.876   6.988  -2.677
  204    H    SER  33           H        SER  33   2.679   3.239   2.033
  205    HA   SER  33           HA       SER  33   3.957   1.140   3.033
  206   1HB   SER  33          1HB       SER  33   2.381   0.501   4.733
  207   2HB   SER  33          2HB       SER  33   1.015   0.609   3.603
  208    HG   SER  33           HG       SER  33   2.021  -1.162   2.431
  209    H    GLN  34           H        GLN  34   4.748   1.119   0.882
  210    HA   GLN  34           HA       GLN  34   2.870   1.371  -1.245
  211   1HB   GLN  34          1HB       GLN  34   5.076   2.483  -1.051
  212   2HB   GLN  34          2HB       GLN  34   5.873   0.973  -1.485
  213   1HG   GLN  34          1HG       GLN  34   4.941   1.006  -3.706
  214   2HG   GLN  34          2HG       GLN  34   3.745   2.237  -3.289
  215   1HE2  GLN  34          2HE2      GLN  34   5.956   4.859  -4.099
  216   2HE2  GLN  34          1HE2      GLN  34   4.329   4.466  -3.542
  217    H    CYS  35           H        CYS  35   2.620   0.350  -3.073
  218    HA   CYS  35           HA       CYS  35   2.184  -2.351  -3.556
  219   1HB   CYS  35          1HB       CYS  35   1.279  -0.325  -4.670
  220   2HB   CYS  35          2HB       CYS  35   2.844  -0.024  -5.410
  221    H    LEU  36           H        LEU  36   4.369  -3.077  -2.544
  222    HA   LEU  36           HA       LEU  36   6.157  -4.002  -4.776
  223   1HB   LEU  36          1HB       LEU  36   6.571  -3.449  -1.828
  224   2HB   LEU  36          2HB       LEU  36   7.516  -4.709  -2.606
  225    HG   LEU  36           HG       LEU  36   8.721  -3.281  -3.944
  226   1HD1  LEU  36          3HD1      LEU  36   6.657  -1.074  -3.530
  227   2HD1  LEU  36          1HD1      LEU  36   8.236  -0.849  -4.306
  228   3HD1  LEU  36          2HD1      LEU  36   7.054  -1.919  -5.049
  229   1HD2  LEU  36          3HD2      LEU  36   9.207  -2.981  -1.488
  230   2HD2  LEU  36          1HD2      LEU  36   9.627  -1.554  -2.460
  231   3HD2  LEU  36          2HD2      LEU  36   8.133  -1.565  -1.509
   
  No H/Q in entry =         231
  Start of MODEL   11
    1   1H    THR   1          2H        THR   1  -3.683  -6.902  -7.027
    2   2H    THR   1          3H        THR   1  -3.991  -7.424  -8.561
    3   3H    THR   1          1H        THR   1  -3.245  -5.974  -8.314
    4    HA   THR   1           HA       THR   1  -5.180  -4.985  -7.457
    5    HB   THR   1           HB       THR   1  -6.775  -5.242  -9.399
    6    HG1  THR   1           HG1      THR   1  -6.022  -6.700 -11.037
    7   1HG2  THR   1          2HG2      THR   1  -4.765  -3.744  -9.658
    8   2HG2  THR   1          3HG2      THR   1  -3.828  -5.124 -10.266
    9   3HG2  THR   1          1HG2      THR   1  -5.229  -4.540 -11.164
   10    H    GLN   2           H        GLN   2  -6.391  -8.265  -8.462
   11    HA   GLN   2           HA       GLN   2  -8.797  -7.951  -6.926
   12   1HB   GLN   2          1HB       GLN   2  -7.659 -10.394  -8.313
   13   2HB   GLN   2          2HB       GLN   2  -9.326 -10.215  -7.759
   14   1HG   GLN   2          1HG       GLN   2  -8.046  -8.402  -9.881
   15   2HG   GLN   2          2HG       GLN   2  -8.949  -9.869 -10.223
   16   1HE2  GLN   2          2HE2      GLN   2 -11.112  -6.650  -9.000
   17   2HE2  GLN   2          1HE2      GLN   2  -9.446  -6.708  -8.420
   18    H    SER   3           H        SER   3  -6.270 -10.491  -6.381
   19    HA   SER   3           HA       SER   3  -7.376 -11.366  -3.855
   20   1HB   SER   3          1HB       SER   3  -5.184 -12.594  -3.711
   21   2HB   SER   3          2HB       SER   3  -6.064 -12.866  -5.229
   22    HG   SER   3           HG       SER   3  -3.737 -12.325  -5.468
   23    H    HIS   4           H        HIS   4  -4.249  -9.882  -4.459
   24    HA   HIS   4           HA       HIS   4  -4.717  -7.776  -2.386
   25   1HB   HIS   4          1HB       HIS   4  -3.080  -9.567  -1.615
   26   2HB   HIS   4          2HB       HIS   4  -2.018  -9.042  -2.915
   27    HD2  HIS   4           HD2      HIS   4  -1.416  -8.900   0.424
   28    HE1  HIS   4           HE1      HIS   4  -0.940  -4.809  -0.556
   29    HE2  HIS   4           HE2      HIS   4  -0.428  -6.585   1.194
   30    H    ALA   5           H        ALA   5  -3.150  -5.879  -2.920
   31    HA   ALA   5           HA       ALA   5  -2.887  -5.341  -5.851
   32   1HB   ALA   5          2HB       ALA   5  -5.090  -4.465  -4.961
   33   2HB   ALA   5          3HB       ALA   5  -4.176  -3.452  -3.836
   34   3HB   ALA   5          1HB       ALA   5  -4.028  -3.207  -5.589
   35    H    GLY   6           H        GLY   6  -2.264  -2.508  -4.886
   36   1HA   GLY   6          1HA       GLY   6   0.552  -2.871  -3.936
   37   2HA   GLY   6          2HA       GLY   6  -0.176  -1.454  -4.700
   38    H    GLN   7           H        GLN   7  -1.012   0.131  -3.406
   39    HA   GLN   7           HA       GLN   7  -0.191   0.252  -0.752
   40   1HB   GLN   7          1HB       GLN   7  -0.410   2.124  -2.417
   41   2HB   GLN   7          2HB       GLN   7  -2.145   2.145  -2.051
   42   1HG   GLN   7          2HG       GLN   7  -1.680   2.730   0.290
   43   2HG   GLN   7          1HG       GLN   7   0.048   2.561   0.026
   44   1HE2  GLN   7          2HE2      GLN   7  -1.071   6.197  -0.255
   45   2HE2  GLN   7          1HE2      GLN   7  -1.870   4.966   0.721
   46    H    CYS   8           H        CYS   8  -1.195  -1.693   0.011
   47    HA   CYS   8           HA       CYS   8  -3.662  -2.406   0.824
   48   1HB   CYS   8          1HB       CYS   8  -2.481  -3.290   2.932
   49   2HB   CYS   8          2HB       CYS   8  -1.791  -3.745   1.380
   50    H    GLY   9           H        GLY   9  -1.941   0.253   2.377
   51   1HA   GLY   9          1HA       GLY   9  -3.239   2.076   3.434
   52   2HA   GLY   9          2HA       GLY   9  -4.336   0.886   4.110
   53    H    GLY  10           H        GLY  10  -1.434   2.620   4.631
   54   1HA   GLY  10          1HA       GLY  10  -0.584   0.963   6.995
   55   2HA   GLY  10          2HA       GLY  10   0.386   2.162   6.187
   56    H    ILE  11           H        ILE  11   0.681   2.597   8.561
   57    HA   ILE  11           HA       ILE  11  -1.087   3.218  10.487
   58    HB   ILE  11           HB       ILE  11   1.566   4.625  10.156
   59   1HG1  ILE  11          2HG1      ILE  11   0.936   2.068  11.705
   60   2HG1  ILE  11          1HG1      ILE  11   1.701   2.089  10.115
   61   1HG2  ILE  11          2HG2      ILE  11   0.089   5.690  11.909
   62   2HG2  ILE  11          3HG2      ILE  11  -0.108   4.104  12.664
   63   3HG2  ILE  11          1HG2      ILE  11   1.471   4.908  12.626
   64   1HD1  ILE  11          2HD1      ILE  11   3.565   3.477  11.031
   65   2HD1  ILE  11          3HD1      ILE  11   2.886   3.254  12.658
   66   3HD1  ILE  11          1HD1      ILE  11   3.441   1.857  11.736
   67    H    GLY  12           H        GLY  12  -2.930   4.245   9.743
   68   1HA   GLY  12          2HA       GLY  12  -4.393   6.019   9.960
   69   2HA   GLY  12          1HA       GLY  12  -3.059   7.135  10.229
   70    H    TYR  13           H        TYR  13  -3.473   5.019   7.360
   71    HA   TYR  13           HA       TYR  13  -4.566   7.281   5.727
   72   1HB   TYR  13          1HB       TYR  13  -2.021   7.171   5.775
   73   2HB   TYR  13          2HB       TYR  13  -2.134   5.660   4.892
   74    HD1  TYR  13           HD1      TYR  13  -4.716   7.390   3.299
   75    HD2  TYR  13           HD2      TYR  13  -0.462   7.804   3.979
   76    HE1  TYR  13           HE1      TYR  13  -4.461   8.579   1.135
   77    HE2  TYR  13           HE2      TYR  13  -0.210   8.841   1.738
   78    HH   TYR  13           HH       TYR  13  -1.298   9.699  -0.048
   79    H    SER  14           H        SER  14  -6.293   5.502   6.434
   80    HA   SER  14           HA       SER  14  -6.360   3.065   4.875
   81   1HB   SER  14          1HB       SER  14  -8.512   4.215   6.698
   82   2HB   SER  14          2HB       SER  14  -8.344   2.547   6.133
   83    HG   SER  14           HG       SER  14  -7.469   2.783   8.231
   84    H    GLY  15           H        GLY  15  -6.566   3.782   2.593
   85   1HA   GLY  15          1HA       GLY  15  -9.315   3.734   1.799
   86   2HA   GLY  15          2HA       GLY  15  -8.684   5.382   1.571
   87    HA   PRO  16           HA       PRO  16  -8.396   2.534  -2.203
   88   1HB   PRO  16          2HB       PRO  16  -9.839   4.911  -3.412
   89   2HB   PRO  16          1HB       PRO  16 -10.050   3.178  -3.768
   90   1HG   PRO  16          2HG       PRO  16 -11.799   4.431  -2.136
   91   2HG   PRO  16          1HG       PRO  16 -11.140   2.853  -1.616
   92   1HD   PRO  16          1HD       PRO  16 -10.175   5.633  -0.823
   93   2HD   PRO  16          2HD       PRO  16 -10.623   4.258   0.206
   94    H    THR  17           H        THR  17  -6.068   3.725  -1.542
   95    HA   THR  17           HA       THR  17  -5.028   5.520  -3.624
   96    HB   THR  17           HB       THR  17  -2.958   5.325  -2.260
   97    HG1  THR  17           HG1      THR  17  -4.565   3.765  -0.474
   98   1HG2  THR  17          2HG2      THR  17  -4.618   7.061  -1.661
   99   2HG2  THR  17          3HG2      THR  17  -5.452   5.911  -0.595
  100   3HG2  THR  17          1HG2      THR  17  -3.799   6.420  -0.232
  101    H    VAL  18           H        VAL  18  -5.933   3.236  -4.840
  102    HA   VAL  18           HA       VAL  18  -4.185   1.040  -4.317
  103    HB   VAL  18           HB       VAL  18  -6.527   0.886  -4.193
  104   1HG1  VAL  18          2HG1      VAL  18  -7.249   2.319  -6.096
  105   2HG1  VAL  18          3HG1      VAL  18  -6.731   1.059  -7.230
  106   3HG1  VAL  18          1HG1      VAL  18  -8.031   0.735  -6.076
  107   1HG2  VAL  18          3HG2      VAL  18  -5.183  -1.136  -4.540
  108   2HG2  VAL  18          1HG2      VAL  18  -6.812  -1.299  -5.222
  109   3HG2  VAL  18          2HG2      VAL  18  -5.431  -1.023  -6.294
  110    H    CYS  19           H        CYS  19  -2.203   1.700  -5.307
  111    HA   CYS  19           HA       CYS  19  -1.558   1.293  -8.036
  112   1HB   CYS  19          2HB       CYS  19  -0.041   2.179  -6.423
  113   2HB   CYS  19          1HB       CYS  19  -0.042   0.709  -5.471
  114    H    ALA  20           H        ALA  20  -0.322  -0.551  -8.940
  115    HA   ALA  20           HA       ALA  20  -2.089  -2.588  -9.600
  116   1HB   ALA  20          2HB       ALA  20  -0.405  -1.449 -11.024
  117   2HB   ALA  20          3HB       ALA  20   0.879  -2.377 -10.230
  118   3HB   ALA  20          1HB       ALA  20  -0.354  -3.198 -11.209
  119    H    SER  21           H        SER  21  -0.305  -4.929 -10.067
  120    HA   SER  21           HA       SER  21  -1.045  -6.394  -7.609
  121   1HB   SER  21          1HB       SER  21  -0.395  -8.385  -8.990
  122   2HB   SER  21          2HB       SER  21  -1.674  -7.402  -9.717
  123    HG   SER  21           HG       SER  21   1.090  -7.275 -10.324
  124    H    GLY  22           H        GLY  22   0.534  -5.369  -6.165
  125   1HA   GLY  22          1HA       GLY  22   3.315  -6.432  -6.247
  126   2HA   GLY  22          2HA       GLY  22   2.543  -5.473  -4.989
  127    H    THR  23           H        THR  23   0.745  -6.573  -3.820
  128    HA   THR  23           HA       THR  23   0.037  -8.211  -2.359
  129    HB   THR  23           HB       THR  23   2.136 -10.219  -3.206
  130    HG1  THR  23           HG1      THR  23   0.882  -9.555  -4.948
  131   1HG2  THR  23          3HG2      THR  23  -0.597 -10.448  -1.854
  132   2HG2  THR  23          1HG2      THR  23   0.290 -11.817  -2.528
  133   3HG2  THR  23          2HG2      THR  23   0.960 -10.928  -1.160
  134    H    THR  24           H        THR  24   2.149  -6.233  -2.197
  135    HA   THR  24           HA       THR  24   4.003  -7.210  -0.095
  136    HB   THR  24           HB       THR  24   5.570  -5.634  -1.438
  137    HG1  THR  24           HG1      THR  24   4.833  -5.473  -3.647
  138   1HG2  THR  24          2HG2      THR  24   5.690  -8.124  -1.568
  139   2HG2  THR  24          3HG2      THR  24   4.477  -8.110  -2.866
  140   3HG2  THR  24          1HG2      THR  24   6.049  -7.343  -3.107
  141    H    CYS  25           H        CYS  25   2.518  -6.333   1.481
  142    HA   CYS  25           HA       CYS  25   2.116  -3.473   1.724
  143   1HB   CYS  25          1HB       CYS  25   0.671  -5.429   2.636
  144   2HB   CYS  25          2HB       CYS  25   1.828  -5.498   3.961
  145    H    GLN  26           H        GLN  26   4.576  -3.306   1.269
  146    HA   GLN  26           HA       GLN  26   6.093  -2.771   3.784
  147   1HB   GLN  26          1HB       GLN  26   7.142  -4.550   2.496
  148   2HB   GLN  26          2HB       GLN  26   7.020  -3.628   1.007
  149   1HG   GLN  26          2HG       GLN  26   9.317  -3.683   1.772
  150   2HG   GLN  26          1HG       GLN  26   8.733  -2.035   1.754
  151   1HE2  GLN  26          1HE2      GLN  26   8.898  -3.264   5.607
  152   2HE2  GLN  26          2HE2      GLN  26   7.664  -3.955   4.536
  153    H    VAL  27           H        VAL  27   7.649  -0.849   3.544
  154    HA   VAL  27           HA       VAL  27   5.954   1.382   2.486
  155    HB   VAL  27           HB       VAL  27   5.311   0.716   4.727
  156   1HG1  VAL  27          3HG2      VAL  27   7.444  -0.253   5.577
  157   2HG1  VAL  27          1HG2      VAL  27   8.163   1.368   5.611
  158   3HG1  VAL  27          2HG2      VAL  27   6.798   0.974   6.665
  159   1HG2  VAL  27          2HG1      VAL  27   5.227   3.128   4.064
  160   2HG2  VAL  27          3HG1      VAL  27   5.467   2.880   5.810
  161   3HG2  VAL  27          1HG1      VAL  27   6.837   3.337   4.792
  162    H    LEU  28           H        LEU  28   6.762   3.308   2.003
  163    HA   LEU  28           HA       LEU  28   9.634   3.816   1.727
  164   1HB   LEU  28          1HB       LEU  28   7.176   5.608   1.384
  165   2HB   LEU  28          2HB       LEU  28   8.843   6.107   1.119
  166    HG   LEU  28           HG       LEU  28   9.057   4.355  -0.669
  167   1HD1  LEU  28          3HD1      LEU  28   6.045   4.101  -0.219
  168   2HD1  LEU  28          1HD1      LEU  28   6.860   3.614  -1.713
  169   3HD1  LEU  28          2HD1      LEU  28   7.249   2.788  -0.215
  170   1HD2  LEU  28          3HD2      LEU  28   6.897   6.489  -1.004
  171   2HD2  LEU  28          1HD2      LEU  28   8.645   6.733  -1.179
  172   3HD2  LEU  28          2HD2      LEU  28   7.779   5.709  -2.329
  173    H    ASN  29           H        ASN  29   7.161   5.737   3.468
  174    HA   ASN  29           HA       ASN  29   8.904   5.986   5.878
  175   1HB   ASN  29          1HB       ASN  29   7.904   8.169   6.249
  176   2HB   ASN  29          2HB       ASN  29   8.729   8.092   4.694
  177   1HD2  ASN  29          1HD2      ASN  29   5.004   9.334   4.592
  178   2HD2  ASN  29          2HD2      ASN  29   6.035   9.453   6.017
  179    HA   PRO  30           HA       PRO  30   6.048   3.382   8.038
  180   1HB   PRO  30          2HB       PRO  30   6.297   5.537  10.159
  181   2HB   PRO  30          1HB       PRO  30   6.160   3.768  10.390
  182   1HG   PRO  30          1HG       PRO  30   8.623   4.871  10.327
  183   2HG   PRO  30          2HG       PRO  30   8.307   3.390   9.382
  184   1HD   PRO  30          2HD       PRO  30   8.527   6.228   8.391
  185   2HD   PRO  30          1HD       PRO  30   9.068   4.698   7.635
  186    H    TYR  31           H        TYR  31   4.933   6.792   8.032
  187    HA   TYR  31           HA       TYR  31   2.152   6.130   8.582
  188   1HB   TYR  31          1HB       TYR  31   3.535   8.675   7.692
  189   2HB   TYR  31          2HB       TYR  31   1.815   8.561   8.023
  190    HD1  TYR  31           HD1      TYR  31   0.925   8.110  10.276
  191    HD2  TYR  31           HD2      TYR  31   5.162   8.627   9.608
  192    HE1  TYR  31           HE1      TYR  31   1.323   8.004  12.722
  193    HE2  TYR  31           HE2      TYR  31   5.538   8.582  12.079
  194    HH   TYR  31           HH       TYR  31   2.848   8.087  14.358
  195    H    TYR  32           H        TYR  32   3.187   4.647   6.360
  196    HA   TYR  32           HA       TYR  32   0.700   4.293   5.335
  197   1HB   TYR  32          2HB       TYR  32   0.608   4.734   3.076
  198   2HB   TYR  32          1HB       TYR  32   1.041   6.203   3.853
  199    HD1  TYR  32           HD1      TYR  32   2.507   3.458   1.645
  200    HD2  TYR  32           HD2      TYR  32   3.149   7.443   3.116
  201    HE1  TYR  32           HE1      TYR  32   2.188   4.318  -0.615
  202    HE2  TYR  32           HE2      TYR  32   3.017   8.294   0.758
  203    HH   TYR  32           HH       TYR  32   1.459   6.186  -1.691
  204    H    SER  33           H        SER  33   1.062   2.692   3.085
  205    HA   SER  33           HA       SER  33   3.472   1.127   3.199
  206   1HB   SER  33          1HB       SER  33   2.393   0.075   5.117
  207   2HB   SER  33          2HB       SER  33   0.934  -0.250   4.165
  208    HG   SER  33           HG       SER  33   2.694  -1.979   4.309
  209    H    GLN  34           H        GLN  34   3.900   0.471   1.140
  210    HA   GLN  34           HA       GLN  34   1.880   1.433  -0.826
  211   1HB   GLN  34          1HB       GLN  34   3.933   2.774  -0.314
  212   2HB   GLN  34          2HB       GLN  34   4.888   1.512  -1.022
  213   1HG   GLN  34          1HG       GLN  34   2.796   2.143  -2.948
  214   2HG   GLN  34          2HG       GLN  34   3.348   3.677  -2.313
  215   1HE2  GLN  34          2HE2      GLN  34   5.796   3.515  -4.825
  216   2HE2  GLN  34          1HE2      GLN  34   4.441   4.441  -4.165
  217    H    CYS  35           H        CYS  35   4.499   0.176  -2.560
  218    HA   CYS  35           HA       CYS  35   2.922  -2.163  -3.533
  219   1HB   CYS  35          1HB       CYS  35   1.850   0.000  -4.232
  220   2HB   CYS  35          2HB       CYS  35   3.349   0.458  -5.031
  221    H    LEU  36           H        LEU  36   4.982  -3.212  -2.923
  222    HA   LEU  36           HA       LEU  36   7.177  -2.876  -4.911
  223   1HB   LEU  36          1HB       LEU  36   7.988  -3.188  -2.029
  224   2HB   LEU  36          2HB       LEU  36   8.820  -2.477  -3.395
  225    HG   LEU  36           HG       LEU  36   6.937  -0.584  -3.144
  226   1HD1  LEU  36          3HD1      LEU  36   5.703  -1.909  -1.290
  227   2HD1  LEU  36          1HD1      LEU  36   7.148  -1.698  -0.300
  228   3HD1  LEU  36          2HD1      LEU  36   6.218  -0.285  -0.810
  229   1HD2  LEU  36          3HD2      LEU  36   9.276  -0.841  -1.214
  230   2HD2  LEU  36          1HD2      LEU  36   9.316  -0.143  -2.848
  231   3HD2  LEU  36          2HD2      LEU  36   8.376   0.649  -1.573
   
  No H/Q in entry =         231
  Start of MODEL   12
    1   1H    THR   1          1H        THR   1  -3.783  -8.490  -8.657
    2   2H    THR   1          2H        THR   1  -2.659  -7.301  -8.771
    3   3H    THR   1          3H        THR   1  -2.945  -7.992  -7.313
    4    HA   THR   1           HA       THR   1  -3.878  -5.994  -7.130
    5    HB   THR   1           HB       THR   1  -5.508  -6.133  -9.659
    6    HG1  THR   1           HG1      THR   1  -3.787  -4.650 -10.344
    7   1HG2  THR   1          3HG2      THR   1  -4.594  -3.845  -7.811
    8   2HG2  THR   1          1HG2      THR   1  -5.505  -3.646  -9.308
    9   3HG2  THR   1          2HG2      THR   1  -6.235  -4.468  -7.928
   10    H    GLN   2           H        GLN   2  -6.344  -8.148  -8.777
   11    HA   GLN   2           HA       GLN   2  -8.171  -7.762  -6.462
   12   1HB   GLN   2          1HB       GLN   2  -8.541  -9.112  -9.148
   13   2HB   GLN   2          2HB       GLN   2  -9.788  -8.882  -7.918
   14   1HG   GLN   2          1HG       GLN   2  -8.284  -6.598  -9.317
   15   2HG   GLN   2          2HG       GLN   2  -9.892  -7.180  -9.721
   16   1HE2  GLN   2          2HE2      GLN   2  -9.549  -4.843  -6.411
   17   2HE2  GLN   2          1HE2      GLN   2  -8.067  -5.647  -6.916
   18    H    SER   3           H        SER   3  -6.764  -8.689  -5.046
   19    HA   SER   3           HA       SER   3  -7.385 -11.056  -3.842
   20   1HB   SER   3          1HB       SER   3  -6.612 -12.498  -5.555
   21   2HB   SER   3          2HB       SER   3  -5.169 -11.531  -5.866
   22    HG   SER   3           HG       SER   3  -5.685 -13.114  -3.554
   23    H    HIS   4           H        HIS   4  -3.938 -10.366  -4.374
   24    HA   HIS   4           HA       HIS   4  -4.056  -8.199  -2.311
   25   1HB   HIS   4          1HB       HIS   4  -2.500 -10.170  -1.843
   26   2HB   HIS   4          2HB       HIS   4  -1.496  -9.544  -3.153
   27    HD2  HIS   4           HD2      HIS   4  -0.235  -9.640  -0.204
   28    HE1  HIS   4           HE1      HIS   4  -0.802  -5.439  -0.221
   29    HE2  HIS   4           HE2      HIS   4   0.478  -7.350   0.885
   30    H    ALA   5           H        ALA   5  -2.840  -6.328  -2.725
   31    HA   ALA   5           HA       ALA   5  -2.705  -5.386  -5.534
   32   1HB   ALA   5          2HB       ALA   5  -5.029  -5.037  -4.498
   33   2HB   ALA   5          3HB       ALA   5  -4.259  -4.059  -3.249
   34   3HB   ALA   5          1HB       ALA   5  -4.234  -3.527  -4.944
   35    H    GLY   6           H        GLY   6  -2.351  -2.731  -5.137
   36   1HA   GLY   6          1HA       GLY   6   0.306  -2.413  -3.971
   37   2HA   GLY   6          2HA       GLY   6  -0.737  -1.194  -4.712
   38    H    GLN   7           H        GLN   7  -0.838   0.430  -3.305
   39    HA   GLN   7           HA       GLN   7  -0.111   0.464  -0.688
   40   1HB   GLN   7          1HB       GLN   7  -0.022   2.331  -2.115
   41   2HB   GLN   7          2HB       GLN   7  -1.776   2.447  -2.255
   42   1HG   GLN   7          2HG       GLN   7  -2.058   3.348  -0.115
   43   2HG   GLN   7          1HG       GLN   7  -0.538   2.730   0.484
   44   1HE2  GLN   7          2HE2      GLN   7   0.288   6.217   0.117
   45   2HE2  GLN   7          1HE2      GLN   7  -0.350   5.077   1.293
   46    H    CYS   8           H        CYS   8  -1.217  -1.356   0.193
   47    HA   CYS   8           HA       CYS   8  -3.431  -2.132   1.133
   48   1HB   CYS   8          2HB       CYS   8  -1.352  -1.290   3.199
   49   2HB   CYS   8          1HB       CYS   8  -2.534  -2.587   3.362
   50    H    GLY   9           H        GLY   9  -2.429   1.045   2.235
   51   1HA   GLY   9          1HA       GLY   9  -3.645   2.635   3.537
   52   2HA   GLY   9          2HA       GLY   9  -4.772   1.391   4.089
   53    H    GLY  10           H        GLY  10  -1.887   3.052   4.820
   54   1HA   GLY  10          1HA       GLY  10  -0.681   0.959   6.590
   55   2HA   GLY  10          2HA       GLY  10   0.038   2.483   6.080
   56    H    ILE  11           H        ILE  11   0.519   3.454   8.005
   57    HA   ILE  11           HA       ILE  11  -1.426   3.555  10.236
   58    HB   ILE  11           HB       ILE  11   1.363   4.730  10.026
   59   1HG1  ILE  11          2HG1      ILE  11   0.391   2.061  11.172
   60   2HG1  ILE  11          1HG1      ILE  11   1.426   2.278   9.756
   61   1HG2  ILE  11          2HG2      ILE  11  -0.137   5.779  11.751
   62   2HG2  ILE  11          3HG2      ILE  11  -0.409   4.170  12.452
   63   3HG2  ILE  11          1HG2      ILE  11   1.207   4.905  12.475
   64   1HD1  ILE  11          2HD1      ILE  11   3.167   3.329  11.205
   65   2HD1  ILE  11          3HD1      ILE  11   2.195   2.861  12.625
   66   3HD1  ILE  11          1HD1      ILE  11   2.834   1.619  11.539
   67    H    GLY  12           H        GLY  12  -3.005   5.084  10.177
   68   1HA   GLY  12          1HA       GLY  12  -4.154   7.048   9.808
   69   2HA   GLY  12          2HA       GLY  12  -2.602   7.883   9.867
   70    H    TYR  13           H        TYR  13  -3.759   5.518   7.466
   71    HA   TYR  13           HA       TYR  13  -4.467   7.475   5.418
   72   1HB   TYR  13          1HB       TYR  13  -1.926   7.422   5.396
   73   2HB   TYR  13          2HB       TYR  13  -2.004   5.725   4.992
   74    HD1  TYR  13           HD2      TYR  13  -2.716   9.187   3.850
   75    HD2  TYR  13           HD1      TYR  13  -2.660   5.022   2.684
   76    HE1  TYR  13           HE2      TYR  13  -2.743   9.848   1.443
   77    HE2  TYR  13           HE1      TYR  13  -2.772   5.715   0.290
   78    HH   TYR  13           HH       TYR  13  -2.675   7.420  -1.163
   79    H    SER  14           H        SER  14  -6.153   6.495   4.248
   80    HA   SER  14           HA       SER  14  -6.322   3.559   3.931
   81   1HB   SER  14          1HB       SER  14  -8.221   5.029   5.822
   82   2HB   SER  14          2HB       SER  14  -8.254   3.308   5.436
   83    HG   SER  14           HG       SER  14  -5.868   3.608   6.326
   84    H    GLY  15           H        GLY  15  -8.445   2.812   3.086
   85   1HA   GLY  15          1HA       GLY  15 -10.464   3.043   1.921
   86   2HA   GLY  15          2HA       GLY  15 -10.202   4.781   1.737
   87    HA   PRO  16           HA       PRO  16  -9.470   2.698  -2.393
   88   1HB   PRO  16          2HB       PRO  16 -11.050   5.122  -3.275
   89   2HB   PRO  16          1HB       PRO  16 -11.130   3.446  -3.877
   90   1HG   PRO  16          2HG       PRO  16 -13.029   4.350  -2.178
   91   2HG   PRO  16          1HG       PRO  16 -12.292   2.752  -1.864
   92   1HD   PRO  16          1HD       PRO  16 -11.499   5.423  -0.617
   93   2HD   PRO  16          2HD       PRO  16 -11.939   3.899   0.201
   94    H    THR  17           H        THR  17  -7.305   3.781  -1.348
   95    HA   THR  17           HA       THR  17  -6.181   5.681  -3.387
   96    HB   THR  17           HB       THR  17  -6.559   6.907  -1.397
   97    HG1  THR  17           HG1      THR  17  -4.491   7.652  -1.196
   98   1HG2  THR  17          2HG2      THR  17  -4.909   4.850   0.141
   99   2HG2  THR  17          3HG2      THR  17  -5.451   6.429   0.751
  100   3HG2  THR  17          1HG2      THR  17  -6.629   5.189   0.342
  101    H    VAL  18           H        VAL  18  -5.864   3.616  -4.435
  102    HA   VAL  18           HA       VAL  18  -3.677   1.897  -3.337
  103    HB   VAL  18           HB       VAL  18  -5.935   1.115  -2.755
  104   1HG1  VAL  18          3HG2      VAL  18  -7.206   1.861  -4.747
  105   2HG1  VAL  18          1HG2      VAL  18  -6.345   0.677  -5.749
  106   3HG1  VAL  18          2HG2      VAL  18  -7.417   0.129  -4.449
  107   1HG2  VAL  18          2HG1      VAL  18  -4.021  -0.478  -3.015
  108   2HG2  VAL  18          3HG1      VAL  18  -5.617  -1.197  -3.271
  109   3HG2  VAL  18          1HG1      VAL  18  -4.594  -0.835  -4.661
  110    H    CYS  19           H        CYS  19  -2.740   0.376  -4.779
  111    HA   CYS  19           HA       CYS  19  -2.426   1.292  -7.617
  112   1HB   CYS  19          1HB       CYS  19  -0.646   2.263  -6.522
  113   2HB   CYS  19          2HB       CYS  19  -0.378   0.934  -5.427
  114    H    ALA  20           H        ALA  20  -1.152  -0.342  -8.898
  115    HA   ALA  20           HA       ALA  20  -2.790  -2.410  -9.575
  116   1HB   ALA  20          2HB       ALA  20  -1.165  -1.224 -11.013
  117   2HB   ALA  20          3HB       ALA  20   0.169  -2.078 -10.226
  118   3HB   ALA  20          1HB       ALA  20  -1.022  -2.971 -11.195
  119    H    SER  21           H        SER  21   0.043  -4.159  -9.751
  120    HA   SER  21           HA       SER  21  -0.796  -6.020  -7.554
  121   1HB   SER  21          1HB       SER  21  -0.974  -6.675 -10.185
  122   2HB   SER  21          2HB       SER  21   0.710  -7.110  -9.925
  123    HG   SER  21           HG       SER  21   0.054  -8.594  -8.406
  124    H    GLY  22           H        GLY  22   0.896  -7.313  -6.608
  125   1HA   GLY  22          2HA       GLY  22   3.702  -6.973  -6.951
  126   2HA   GLY  22          1HA       GLY  22   3.147  -5.798  -5.750
  127    H    THR  23           H        THR  23   1.459  -6.854  -4.225
  128    HA   THR  23           HA       THR  23   0.686  -8.449  -2.787
  129    HB   THR  23           HB       THR  23   2.917 -10.375  -3.527
  130    HG1  THR  23           HG1      THR  23   1.837 -10.664  -5.276
  131   1HG2  THR  23          3HG2      THR  23   0.179 -10.886  -2.294
  132   2HG2  THR  23          1HG2      THR  23   1.329 -12.113  -2.838
  133   3HG2  THR  23          2HG2      THR  23   1.736 -11.093  -1.470
  134    H    THR  24           H        THR  24   2.431  -6.331  -2.262
  135    HA   THR  24           HA       THR  24   4.377  -7.208  -0.171
  136    HB   THR  24           HB       THR  24   5.776  -5.384  -1.330
  137    HG1  THR  24           HG1      THR  24   4.859  -5.515  -3.706
  138   1HG2  THR  24          2HG2      THR  24   6.136  -7.862  -1.635
  139   2HG2  THR  24          3HG2      THR  24   5.073  -7.795  -3.053
  140   3HG2  THR  24          1HG2      THR  24   6.579  -6.882  -3.037
  141    H    CYS  25           H        CYS  25   2.706  -6.566   1.423
  142    HA   CYS  25           HA       CYS  25   2.256  -3.716   1.838
  143   1HB   CYS  25          1HB       CYS  25   0.862  -5.831   2.688
  144   2HB   CYS  25          2HB       CYS  25   1.911  -5.680   4.094
  145    H    GLN  26           H        GLN  26   3.592  -2.274   2.861
  146    HA   GLN  26           HA       GLN  26   6.285  -3.209   3.802
  147   1HB   GLN  26          1HB       GLN  26   6.090  -3.359   1.349
  148   2HB   GLN  26          2HB       GLN  26   5.596  -1.673   1.247
  149   1HG   GLN  26          2HG       GLN  26   7.946  -2.121   0.524
  150   2HG   GLN  26          1HG       GLN  26   7.821  -0.905   1.779
  151   1HE2  GLN  26          2HE2      GLN  26   9.281  -4.507   3.078
  152   2HE2  GLN  26          1HE2      GLN  26   7.783  -4.531   2.137
  153    H    VAL  27           H        VAL  27   7.864  -1.199   3.906
  154    HA   VAL  27           HA       VAL  27   6.547   1.247   4.996
  155    HB   VAL  27           HB       VAL  27   7.082  -0.027   6.904
  156   1HG1  VAL  27          3HG2      VAL  27   8.698  -1.672   6.071
  157   2HG1  VAL  27          1HG2      VAL  27   9.936  -0.417   5.912
  158   3HG1  VAL  27          2HG2      VAL  27   9.313  -0.847   7.504
  159   1HG2  VAL  27          2HG1      VAL  27   7.599   2.371   6.973
  160   2HG2  VAL  27          3HG1      VAL  27   8.610   1.441   8.094
  161   3HG2  VAL  27          1HG1      VAL  27   9.298   2.043   6.575
  162    H    LEU  28           H        LEU  28   6.956   2.530   3.182
  163    HA   LEU  28           HA       LEU  28   9.765   3.121   2.358
  164   1HB   LEU  28          1HB       LEU  28   7.045   4.320   1.681
  165   2HB   LEU  28          2HB       LEU  28   8.535   5.196   1.366
  166    HG   LEU  28           HG       LEU  28   9.405   3.289   0.029
  167   1HD1  LEU  28          3HD1      LEU  28   6.580   2.191   0.398
  168   2HD1  LEU  28          1HD1      LEU  28   7.716   1.642  -0.851
  169   3HD1  LEU  28          2HD1      LEU  28   8.105   1.399   0.854
  170   1HD2  LEU  28          3HD2      LEU  28   8.335   5.279  -0.996
  171   2HD2  LEU  28          1HD2      LEU  28   8.085   3.812  -1.944
  172   3HD2  LEU  28          2HD2      LEU  28   6.764   4.453  -0.943
  173    H    ASN  29           H        ASN  29   7.222   4.689   4.173
  174    HA   ASN  29           HA       ASN  29   9.079   5.316   6.349
  175   1HB   ASN  29          1HB       ASN  29   8.123   7.560   6.777
  176   2HB   ASN  29          2HB       ASN  29   8.851   7.498   5.187
  177   1HD2  ASN  29          1HD2      ASN  29   5.764   8.231   3.593
  178   2HD2  ASN  29          2HD2      ASN  29   7.466   7.831   3.357
  179    HA   PRO  30           HA       PRO  30   6.033   3.142   8.659
  180   1HB   PRO  30          2HB       PRO  30   5.220   4.784  10.820
  181   2HB   PRO  30          1HB       PRO  30   6.627   3.696  10.751
  182   1HG   PRO  30          2HG       PRO  30   6.524   6.665  10.196
  183   2HG   PRO  30          1HG       PRO  30   7.748   5.754  11.124
  184   1HD   PRO  30          2HD       PRO  30   8.254   6.511   8.611
  185   2HD   PRO  30          1HD       PRO  30   8.718   4.871   9.116
  186    H    TYR  31           H        TYR  31   4.873   6.427   7.891
  187    HA   TYR  31           HA       TYR  31   2.058   5.612   7.919
  188   1HB   TYR  31          1HB       TYR  31   3.289   8.199   6.936
  189   2HB   TYR  31          2HB       TYR  31   1.593   7.873   7.268
  190    HD1  TYR  31           HD2      TYR  31   4.958   8.299   8.848
  191    HD2  TYR  31           HD1      TYR  31   0.699   8.118   9.533
  192    HE1  TYR  31           HE2      TYR  31   5.320   8.695  11.278
  193    HE2  TYR  31           HE1      TYR  31   1.080   8.452  11.967
  194    HH   TYR  31           HH       TYR  31   4.364   8.781  13.312
  195    H    TYR  32           H        TYR  32   4.483   4.996   5.643
  196    HA   TYR  32           HA       TYR  32   2.468   4.747   3.453
  197   1HB   TYR  32          2HB       TYR  32   4.094   6.722   3.385
  198   2HB   TYR  32          1HB       TYR  32   5.320   5.549   2.919
  199    HD1  TYR  32           HD1      TYR  32   3.069   3.863   1.219
  200    HD2  TYR  32           HD2      TYR  32   4.318   8.005   1.313
  201    HE1  TYR  32           HE1      TYR  32   2.426   4.096  -1.125
  202    HE2  TYR  32           HE2      TYR  32   3.570   8.237  -1.056
  203    HH   TYR  32           HH       TYR  32   1.910   5.661  -2.746
  204    H    SER  33           H        SER  33   2.066   2.644   3.706
  205    HA   SER  33           HA       SER  33   4.041   0.634   2.682
  206   1HB   SER  33          1HB       SER  33   2.391  -0.224   4.341
  207   2HB   SER  33          2HB       SER  33   1.060   0.384   3.345
  208    HG   SER  33           HG       SER  33   1.639  -1.097   1.711
  209    H    GLN  34           H        GLN  34   4.052  -0.020   0.532
  210    HA   GLN  34           HA       GLN  34   2.279   1.544  -1.337
  211   1HB   GLN  34          1HB       GLN  34   4.535   2.487  -0.939
  212   2HB   GLN  34          2HB       GLN  34   5.256   1.045  -1.642
  213   1HG   GLN  34          1HG       GLN  34   4.179   1.594  -3.832
  214   2HG   GLN  34          2HG       GLN  34   3.268   2.904  -3.087
  215   1HE2  GLN  34          2HE2      GLN  34   5.959   5.112  -3.692
  216   2HE2  GLN  34          1HE2      GLN  34   4.261   4.993  -3.233
  217    H    CYS  35           H        CYS  35   4.496  -0.304  -3.066
  218    HA   CYS  35           HA       CYS  35   2.575  -2.352  -3.928
  219   1HB   CYS  35          1HB       CYS  35   1.440  -0.148  -4.396
  220   2HB   CYS  35          2HB       CYS  35   2.828   0.345  -5.346
  221    H    LEU  36           H        LEU  36   4.603  -3.549  -3.836
  222    HA   LEU  36           HA       LEU  36   6.684  -2.831  -5.868
  223   1HB   LEU  36          1HB       LEU  36   6.997  -4.475  -3.329
  224   2HB   LEU  36          2HB       LEU  36   8.240  -3.927  -4.438
  225    HG   LEU  36           HG       LEU  36   8.504  -2.543  -2.631
  226   1HD1  LEU  36          3HD1      LEU  36   8.296  -1.212  -4.740
  227   2HD1  LEU  36          1HD1      LEU  36   6.643  -0.781  -4.260
  228   3HD1  LEU  36          2HD1      LEU  36   8.004  -0.294  -3.252
  229   1HD2  LEU  36          3HD2      LEU  36   5.498  -2.281  -2.265
  230   2HD2  LEU  36          1HD2      LEU  36   6.667  -3.102  -1.243
  231   3HD2  LEU  36          2HD2      LEU  36   6.707  -1.338  -1.395
   
  No H/Q in entry =         231
  Start of MODEL   13
    1   1H    THR   1          3H        THR   1  -8.286  -6.718  -8.123
    2   2H    THR   1          1H        THR   1  -7.760  -7.889  -9.183
    3   3H    THR   1          2H        THR   1  -7.293  -7.914  -7.606
    4    HA   THR   1           HA       THR   1  -5.437  -7.247  -8.613
    5    HB   THR   1           HB       THR   1  -6.995  -5.645 -10.680
    6    HG1  THR   1           HG1      THR   1  -6.392  -7.645 -11.873
    7   1HG2  THR   1          1HG2      THR   1  -4.188  -6.874 -10.655
    8   2HG2  THR   1          2HG2      THR   1  -4.921  -5.993 -12.016
    9   3HG2  THR   1          3HG2      THR   1  -4.521  -5.129 -10.512
   10    H    GLN   2           H        GLN   2  -6.838  -4.035  -9.416
   11    HA   GLN   2           HA       GLN   2  -5.750  -2.628  -7.171
   12   1HB   GLN   2          1HB       GLN   2  -8.123  -2.054  -9.009
   13   2HB   GLN   2          2HB       GLN   2  -7.507  -0.944  -7.779
   14   1HG   GLN   2          1HG       GLN   2  -6.629  -0.301  -9.938
   15   2HG   GLN   2          2HG       GLN   2  -5.333  -0.794  -8.852
   16   1HE2  GLN   2          2HE2      GLN   2  -4.152  -2.465 -11.768
   17   2HE2  GLN   2          1HE2      GLN   2  -3.918  -1.095 -10.673
   18    H    SER   3           H        SER   3  -8.767  -4.417  -7.578
   19    HA   SER   3           HA       SER   3  -9.844  -4.226  -4.912
   20   1HB   SER   3          1HB       SER   3 -11.081  -6.267  -5.667
   21   2HB   SER   3          2HB       SER   3 -11.172  -4.919  -6.805
   22    HG   SER   3           HG       SER   3 -10.668  -7.007  -7.777
   23    H    HIS   4           H        HIS   4  -6.797  -5.247  -5.367
   24    HA   HIS   4           HA       HIS   4  -6.887  -7.128  -3.076
   25   1HB   HIS   4          1HB       HIS   4  -5.193  -7.397  -5.592
   26   2HB   HIS   4          2HB       HIS   4  -4.830  -8.225  -4.087
   27    HD2  HIS   4           HD2      HIS   4  -6.251 -10.465  -3.495
   28    HE1  HIS   4           HE1      HIS   4  -8.340 -10.609  -7.174
   29    HE2  HIS   4           HE2      HIS   4  -7.733 -11.937  -5.087
   30    H    ALA   5           H        ALA   5  -4.605  -7.169  -2.054
   31    HA   ALA   5           HA       ALA   5  -3.666  -4.528  -1.423
   32   1HB   ALA   5          2HB       ALA   5  -3.525  -6.409   0.117
   33   2HB   ALA   5          3HB       ALA   5  -2.406  -7.254  -0.977
   34   3HB   ALA   5          1HB       ALA   5  -1.917  -5.730  -0.199
   35    H    GLY   6           H        GLY   6  -3.263  -3.555  -3.508
   36   1HA   GLY   6          1HA       GLY   6  -0.422  -3.945  -4.421
   37   2HA   GLY   6          2HA       GLY   6  -1.484  -2.566  -4.801
   38    H    GLN   7           H        GLN   7  -1.166  -0.749  -3.537
   39    HA   GLN   7           HA       GLN   7   0.209  -0.455  -1.059
   40   1HB   GLN   7          1HB       GLN   7  -0.524   1.380  -2.332
   41   2HB   GLN   7          2HB       GLN   7  -2.222   0.896  -2.268
   42   1HG   GLN   7          2HG       GLN   7  -2.564   1.660  -0.129
   43   2HG   GLN   7          1HG       GLN   7  -0.945   1.339   0.406
   44   1HE2  GLN   7          2HE2      GLN   7  -1.389   5.034   0.176
   45   2HE2  GLN   7          1HE2      GLN   7  -2.356   3.786   0.975
   46    H    CYS   8           H        CYS   8  -0.026  -1.950   0.619
   47    HA   CYS   8           HA       CYS   8  -2.463  -3.310   1.254
   48   1HB   CYS   8          1HB       CYS   8  -1.400  -3.886   3.394
   49   2HB   CYS   8          2HB       CYS   8  -0.330  -4.157   2.016
   50    H    GLY   9           H        GLY   9  -1.124  -0.399   2.762
   51   1HA   GLY   9          1HA       GLY   9  -2.730   1.360   3.531
   52   2HA   GLY   9          2HA       GLY   9  -3.623   0.080   4.371
   53    H    GLY  10           H        GLY  10  -1.543   2.505   4.976
   54   1HA   GLY  10          1HA       GLY  10   0.247   1.085   6.944
   55   2HA   GLY  10          2HA       GLY  10   0.541   2.657   6.233
   56    H    ILE  11           H        ILE  11  -0.618   4.496   7.052
   57    HA   ILE  11           HA       ILE  11  -2.140   4.169   9.613
   58    HB   ILE  11           HB       ILE  11  -0.037   6.270   8.974
   59   1HG1  ILE  11          2HG1      ILE  11  -0.086   4.045  11.079
   60   2HG1  ILE  11          1HG1      ILE  11   0.908   4.053   9.617
   61   1HG2  ILE  11          2HG2      ILE  11  -1.944   7.242  10.233
   62   2HG2  ILE  11          3HG2      ILE  11  -1.810   5.947  11.438
   63   3HG2  ILE  11          1HG2      ILE  11  -0.522   7.152  11.247
   64   1HD1  ILE  11          2HD1      ILE  11   2.104   6.067  10.417
   65   2HD1  ILE  11          3HD1      ILE  11   1.213   5.965  11.957
   66   3HD1  ILE  11          1HD1      ILE  11   2.291   4.655  11.467
   67    H    GLY  12           H        GLY  12  -4.105   5.172   9.601
   68   1HA   GLY  12          2HA       GLY  12  -5.838   6.588   8.989
   69   2HA   GLY  12          1HA       GLY  12  -4.744   7.517   7.973
   70    H    TYR  13           H        TYR  13  -3.912   5.912   6.038
   71    HA   TYR  13           HA       TYR  13  -6.272   5.263   4.428
   72   1HB   TYR  13          1HB       TYR  13  -3.811   6.236   3.813
   73   2HB   TYR  13          2HB       TYR  13  -3.526   4.568   3.429
   74    HD1  TYR  13           HD2      TYR  13  -5.964   3.562   2.147
   75    HD2  TYR  13           HD1      TYR  13  -4.139   7.484   1.895
   76    HE1  TYR  13           HE2      TYR  13  -7.127   3.982  -0.003
   77    HE2  TYR  13           HE1      TYR  13  -5.256   7.847  -0.295
   78    HH   TYR  13           HH       TYR  13  -7.546   5.498  -1.646
   79    H    SER  14           H        SER  14  -7.261   3.508   5.533
   80    HA   SER  14           HA       SER  14  -5.856   0.909   5.795
   81   1HB   SER  14          1HB       SER  14  -8.692   1.780   6.464
   82   2HB   SER  14          2HB       SER  14  -8.026   0.177   6.781
   83    HG   SER  14           HG       SER  14  -6.376   1.240   8.060
   84    H    GLY  15           H        GLY  15  -5.430   0.651   3.449
   85   1HA   GLY  15          1HA       GLY  15  -6.456  -1.416   2.224
   86   2HA   GLY  15          2HA       GLY  15  -7.753  -0.285   1.820
   87    HA   PRO  16           HA       PRO  16  -4.494  -0.098  -1.513
   88   1HB   PRO  16          1HB       PRO  16  -5.810  -1.259  -3.602
   89   2HB   PRO  16          2HB       PRO  16  -5.052  -2.215  -2.300
   90   1HG   PRO  16          1HG       PRO  16  -7.955  -1.332  -2.478
   91   2HG   PRO  16          2HG       PRO  16  -7.349  -3.000  -2.253
   92   1HD   PRO  16          2HD       PRO  16  -8.093  -1.491  -0.121
   93   2HD   PRO  16          1HD       PRO  16  -6.644  -2.539  -0.023
   94    H    THR  17           H        THR  17  -4.492   0.878  -3.575
   95    HA   THR  17           HA       THR  17  -6.290   2.879  -4.494
   96    HB   THR  17           HB       THR  17  -6.132   3.937  -2.398
   97    HG1  THR  17           HG1      THR  17  -5.451   5.904  -3.044
   98   1HG2  THR  17          2HG2      THR  17  -3.933   2.955  -1.584
   99   2HG2  THR  17          3HG2      THR  17  -3.098   4.191  -2.554
  100   3HG2  THR  17          1HG2      THR  17  -4.156   4.666  -1.249
  101    H    VAL  18           H        VAL  18  -2.789   2.714  -3.775
  102    HA   VAL  18           HA       VAL  18  -2.089   3.247  -6.612
  103    HB   VAL  18           HB       VAL  18  -0.413   3.195  -4.079
  104   1HG1  VAL  18          3HG1      VAL  18   0.392   3.883  -6.940
  105   2HG1  VAL  18          1HG1      VAL  18   1.371   4.215  -5.501
  106   3HG1  VAL  18          2HG1      VAL  18   1.025   2.546  -5.953
  107   1HG2  VAL  18          3HG2      VAL  18  -1.920   5.171  -4.223
  108   2HG2  VAL  18          1HG2      VAL  18  -0.237   5.641  -4.453
  109   3HG2  VAL  18          2HG2      VAL  18  -1.321   5.514  -5.850
  110    H    CYS  19           H        CYS  19  -0.953   1.869  -7.853
  111    HA   CYS  19           HA       CYS  19   0.268   0.129  -8.606
  112   1HB   CYS  19          2HB       CYS  19   1.129   0.040  -6.146
  113   2HB   CYS  19          1HB       CYS  19   0.090  -1.369  -5.993
  114    H    ALA  20           H        ALA  20   0.121  -2.348  -8.975
  115    HA   ALA  20           HA       ALA  20  -2.684  -3.377  -9.068
  116   1HB   ALA  20          2HB       ALA  20  -1.406  -3.491 -11.176
  117   2HB   ALA  20          3HB       ALA  20  -0.136  -4.431 -10.368
  118   3HB   ALA  20          1HB       ALA  20  -1.765  -5.110 -10.558
  119    H    SER  21           H        SER  21  -2.149  -6.135  -8.717
  120    HA   SER  21           HA       SER  21  -2.067  -6.297  -5.835
  121   1HB   SER  21          1HB       SER  21  -2.257  -8.764  -6.294
  122   2HB   SER  21          2HB       SER  21  -3.502  -7.764  -7.051
  123    HG   SER  21           HG       SER  21  -1.123  -8.620  -8.358
  124    H    GLY  22           H        GLY  22  -0.254  -6.240  -4.639
  125   1HA   GLY  22          1HA       GLY  22   2.226  -7.748  -5.466
  126   2HA   GLY  22          2HA       GLY  22   2.268  -6.168  -4.698
  127    H    THR  23           H        THR  23   0.471  -6.396  -2.639
  128    HA   THR  23           HA       THR  23   0.171  -7.065  -0.516
  129    HB   THR  23           HB       THR  23   0.998  -9.884  -1.260
  130    HG1  THR  23           HG1      THR  23  -0.731 -10.077  -2.441
  131   1HG2  THR  23          3HG2      THR  23  -1.233  -8.777   0.529
  132   2HG2  THR  23          1HG2      THR  23  -0.961 -10.491   0.165
  133   3HG2  THR  23          2HG2      THR  23   0.227  -9.597   1.106
  134    H    THR  24           H        THR  24   2.926  -6.203  -1.280
  135    HA   THR  24           HA       THR  24   4.562  -7.330   0.947
  136    HB   THR  24           HB       THR  24   6.417  -6.087  -0.219
  137    HG1  THR  24           HG1      THR  24   5.994  -5.671  -2.420
  138   1HG2  THR  24          2HG2      THR  24   6.015  -8.552  -0.524
  139   2HG2  THR  24          3HG2      THR  24   4.958  -8.181  -1.898
  140   3HG2  THR  24          1HG2      THR  24   6.676  -7.784  -1.971
  141    H    CYS  25           H        CYS  25   3.369  -6.307   2.585
  142    HA   CYS  25           HA       CYS  25   2.835  -3.529   2.640
  143   1HB   CYS  25          1HB       CYS  25   1.657  -5.521   3.821
  144   2HB   CYS  25          2HB       CYS  25   2.851  -5.298   5.104
  145    H    GLN  26           H        GLN  26   5.071  -2.914   2.057
  146    HA   GLN  26           HA       GLN  26   6.688  -2.019   4.409
  147   1HB   GLN  26          1HB       GLN  26   8.014  -3.633   3.353
  148   2HB   GLN  26          2HB       GLN  26   7.534  -3.165   1.755
  149   1HG   GLN  26          2HG       GLN  26   9.853  -2.536   2.146
  150   2HG   GLN  26          1HG       GLN  26   8.902  -1.084   1.899
  151   1HE2  GLN  26          1HE2      GLN  26  10.519   0.120   4.831
  152   2HE2  GLN  26          2HE2      GLN  26  10.166   0.429   3.123
  153    H    VAL  27           H        VAL  27   7.789  -0.007   4.111
  154    HA   VAL  27           HA       VAL  27   6.003   2.029   2.914
  155    HB   VAL  27           HB       VAL  27   5.901   1.872   5.267
  156   1HG1  VAL  27          1HG2      VAL  27   8.947   2.069   5.309
  157   2HG1  VAL  27          2HG2      VAL  27   7.920   2.273   6.741
  158   3HG1  VAL  27          3HG2      VAL  27   7.948   0.725   5.906
  159   1HG2  VAL  27          3HG1      VAL  27   6.049   4.212   4.237
  160   2HG2  VAL  27          1HG1      VAL  27   6.362   4.060   5.978
  161   3HG2  VAL  27          2HG1      VAL  27   7.719   4.261   4.850
  162    H    LEU  28           H        LEU  28   6.646   3.962   2.168
  163    HA   LEU  28           HA       LEU  28   9.480   4.498   1.319
  164   1HB   LEU  28          1HB       LEU  28   6.779   5.737   0.624
  165   2HB   LEU  28          2HB       LEU  28   8.294   6.578   0.330
  166    HG   LEU  28           HG       LEU  28   9.081   4.875  -1.182
  167   1HD1  LEU  28          1HD2      LEU  28   6.509   3.374  -0.545
  168   2HD1  LEU  28          2HD2      LEU  28   7.546   3.027  -1.936
  169   3HD1  LEU  28          3HD2      LEU  28   8.178   2.810  -0.310
  170   1HD2  LEU  28          1HD1      LEU  28   6.210   5.721  -1.783
  171   2HD2  LEU  28          2HD1      LEU  28   7.669   6.677  -2.094
  172   3HD2  LEU  28          3HD1      LEU  28   7.390   5.173  -2.982
  173    H    ASN  29           H        ASN  29   6.937   6.703   2.544
  174    HA   ASN  29           HA       ASN  29   8.627   7.490   4.874
  175   1HB   ASN  29          1HB       ASN  29   7.406   9.602   4.844
  176   2HB   ASN  29          2HB       ASN  29   8.242   9.307   3.322
  177   1HD2  ASN  29          1HD2      ASN  29   4.482  10.233   2.954
  178   2HD2  ASN  29          2HD2      ASN  29   5.540  10.793   4.251
  179    HA   PRO  30           HA       PRO  30   6.211   5.394   7.898
  180   1HB   PRO  30          2HB       PRO  30   5.879   8.219   8.973
  181   2HB   PRO  30          1HB       PRO  30   6.007   6.700   9.911
  182   1HG   PRO  30          2HG       PRO  30   8.255   8.110   9.415
  183   2HG   PRO  30          1HG       PRO  30   8.263   6.343   9.171
  184   1HD   PRO  30          1HD       PRO  30   8.177   8.510   7.095
  185   2HD   PRO  30          2HD       PRO  30   8.904   6.879   7.018
  186    H    TYR  31           H        TYR  31   4.327   8.358   6.957
  187    HA   TYR  31           HA       TYR  31   1.838   7.057   7.754
  188   1HB   TYR  31          2HB       TYR  31   2.490   9.762   6.563
  189   2HB   TYR  31          1HB       TYR  31   0.840   9.208   6.795
  190    HD1  TYR  31           HD2      TYR  31   3.050   8.032   9.492
  191    HD2  TYR  31           HD1      TYR  31   0.580  11.317   8.115
  192    HE1  TYR  31           HE2      TYR  31   2.749   8.793  11.818
  193    HE2  TYR  31           HE1      TYR  31   0.308  12.065  10.472
  194    HH   TYR  31           HH       TYR  31   0.803  11.652  12.642
  195    H    TYR  32           H        TYR  32   3.268   5.711   5.502
  196    HA   TYR  32           HA       TYR  32   0.830   4.624   4.680
  197   1HB   TYR  32          2HB       TYR  32   0.614   4.892   2.404
  198   2HB   TYR  32          1HB       TYR  32   0.821   6.490   3.024
  199    HD1  TYR  32           HD2      TYR  32   3.125   3.755   1.437
  200    HD2  TYR  32           HD1      TYR  32   2.326   7.959   1.672
  201    HE1  TYR  32           HE2      TYR  32   2.549   3.762  -0.977
  202    HE2  TYR  32           HE1      TYR  32   2.017   8.005  -0.819
  203    HH   TYR  32           HH       TYR  32   1.081   4.965  -2.337
  204    H    SER  33           H        SER  33   1.125   2.781   2.981
  205    HA   SER  33           HA       SER  33   3.824   1.574   2.972
  206   1HB   SER  33          1HB       SER  33   2.831   0.624   4.998
  207   2HB   SER  33          2HB       SER  33   1.408   0.108   4.092
  208    HG   SER  33           HG       SER  33   3.237  -1.028   2.730
  209    H    GLN  34           H        GLN  34   4.270   0.674   1.017
  210    HA   GLN  34           HA       GLN  34   2.140   0.971  -1.045
  211   1HB   GLN  34          1HB       GLN  34   4.268   2.396  -0.985
  212   2HB   GLN  34          2HB       GLN  34   5.146   0.982  -1.482
  213   1HG   GLN  34          1HG       GLN  34   3.396   0.875  -3.497
  214   2HG   GLN  34          2HG       GLN  34   2.899   2.453  -2.953
  215   1HE2  GLN  34          2HE2      GLN  34   6.476   2.029  -4.878
  216   2HE2  GLN  34          1HE2      GLN  34   5.751   0.558  -4.252
  217    H    CYS  35           H        CYS  35   4.633  -0.550  -2.450
  218    HA   CYS  35           HA       CYS  35   3.621  -3.270  -2.770
  219   1HB   CYS  35          1HB       CYS  35   1.850  -1.774  -3.753
  220   2HB   CYS  35          2HB       CYS  35   3.067  -1.002  -4.750
  221    H    LEU  36           H        LEU  36   5.719  -4.042  -2.851
  222    HA   LEU  36           HA       LEU  36   7.809  -2.814  -4.573
  223   1HB   LEU  36          1HB       LEU  36   8.351  -3.436  -1.645
  224   2HB   LEU  36          2HB       LEU  36   9.308  -2.523  -2.801
  225    HG   LEU  36           HG       LEU  36   7.148  -0.885  -2.736
  226   1HD1  LEU  36          3HD1      LEU  36   5.968  -2.480  -1.046
  227   2HD1  LEU  36          1HD1      LEU  36   7.259  -2.044   0.061
  228   3HD1  LEU  36          2HD1      LEU  36   6.149  -0.806  -0.488
  229   1HD2  LEU  36          2HD2      LEU  36   9.339  -0.917  -0.629
  230   2HD2  LEU  36          3HD2      LEU  36   9.379  -0.119  -2.217
  231   3HD2  LEU  36          1HD2      LEU  36   8.247   0.438  -0.975
   
  No H/Q in entry =         231
  Start of MODEL   14
    1   1H    THR   1          3H        THR   1  -6.494  -7.593  -6.131
    2   2H    THR   1          1H        THR   1  -4.887  -7.919  -6.115
    3   3H    THR   1          2H        THR   1  -5.651  -7.496  -4.707
    4    HA   THR   1           HA       THR   1  -4.397  -5.671  -5.408
    5    HB   THR   1           HB       THR   1  -5.526  -5.827  -8.217
    6    HG1  THR   1           HG1      THR   1  -3.598  -6.991  -8.666
    7   1HG2  THR   1          2HG2      THR   1  -4.222  -3.743  -7.510
    8   2HG2  THR   1          3HG2      THR   1  -2.829  -4.788  -7.191
    9   3HG2  THR   1          1HG2      THR   1  -3.484  -4.648  -8.829
   10    H    GLN   2           H        GLN   2  -6.184  -5.108  -3.790
   11    HA   GLN   2           HA       GLN   2  -8.022  -3.003  -4.621
   12   1HB   GLN   2          1HB       GLN   2  -9.014  -5.828  -4.024
   13   2HB   GLN   2          2HB       GLN   2 -10.012  -4.428  -3.704
   14   1HG   GLN   2          1HG       GLN   2  -9.108  -5.365  -6.450
   15   2HG   GLN   2          2HG       GLN   2 -10.710  -5.385  -5.745
   16   1HE2  GLN   2          2HE2      GLN   2  -9.457  -1.972  -7.503
   17   2HE2  GLN   2          1HE2      GLN   2  -8.312  -3.305  -7.291
   18    H    SER   3           H        SER   3  -6.664  -1.949  -2.916
   19    HA   SER   3           HA       SER   3  -5.830  -1.552  -0.832
   20   1HB   SER   3          1HB       SER   3  -8.394  -1.090  -0.561
   21   2HB   SER   3          2HB       SER   3  -8.411  -2.552   0.418
   22    HG   SER   3           HG       SER   3  -6.468  -1.376   1.499
   23    H    HIS   4           H        HIS   4  -4.746  -3.718  -1.714
   24    HA   HIS   4           HA       HIS   4  -4.137  -5.385   0.552
   25   1HB   HIS   4          1HB       HIS   4  -6.295  -6.438  -0.197
   26   2HB   HIS   4          2HB       HIS   4  -5.567  -6.794  -1.756
   27    HD2  HIS   4           HD2      HIS   4  -4.875  -7.632   2.068
   28    HE1  HIS   4           HE1      HIS   4  -3.330 -10.749  -0.351
   29    HE2  HIS   4           HE2      HIS   4  -3.700  -9.988   2.052
   30    H    ALA   5           H        ALA   5  -3.424  -7.377  -2.113
   31    HA   ALA   5           HA       ALA   5  -0.814  -6.526  -2.629
   32   1HB   ALA   5          2HB       ALA   5  -1.798  -8.580  -3.616
   33   2HB   ALA   5          3HB       ALA   5  -2.779  -7.586  -4.712
   34   3HB   ALA   5          1HB       ALA   5  -1.015  -7.587  -4.855
   35    H    GLY   6           H        GLY   6   0.271  -5.129  -3.995
   36   1HA   GLY   6          1HA       GLY   6   0.662  -3.018  -4.897
   37   2HA   GLY   6          2HA       GLY   6  -1.072  -2.745  -5.119
   38    H    GLN   7           H        GLN   7  -0.906  -0.685  -4.028
   39    HA   GLN   7           HA       GLN   7   0.024  -0.324  -1.320
   40   1HB   GLN   7          1HB       GLN   7  -0.014   1.511  -2.754
   41   2HB   GLN   7          2HB       GLN   7  -1.723   1.309  -3.147
   42   1HG   GLN   7          1HG       GLN   7  -2.382   2.026  -0.896
   43   2HG   GLN   7          2HG       GLN   7  -0.705   2.021  -0.362
   44   1HE2  GLN   7          2HE2      GLN   7  -1.368   5.526  -0.979
   45   2HE2  GLN   7          1HE2      GLN   7  -1.648   4.313   0.276
   46    H    CYS   8           H        CYS   8  -0.800  -2.210  -0.388
   47    HA   CYS   8           HA       CYS   8  -3.224  -3.042   0.447
   48   1HB   CYS   8          2HB       CYS   8  -2.079  -3.517   2.689
   49   2HB   CYS   8          1HB       CYS   8  -1.281  -4.122   1.241
   50    H    GLY   9           H        GLY   9  -1.656  -0.356   2.106
   51   1HA   GLY   9          1HA       GLY   9  -3.103   1.520   2.933
   52   2HA   GLY   9          2HA       GLY   9  -4.172   0.297   3.630
   53    H    GLY  10           H        GLY  10  -1.953   2.416   4.569
   54   1HA   GLY  10          1HA       GLY  10  -0.312   0.662   6.398
   55   2HA   GLY  10          2HA       GLY  10   0.083   2.290   5.879
   56    H    ILE  11           H        ILE  11   0.017   3.616   7.614
   57    HA   ILE  11           HA       ILE  11  -1.904   3.134   9.858
   58    HB   ILE  11           HB       ILE  11   0.610   4.810   9.764
   59   1HG1  ILE  11          2HG1      ILE  11   0.103   2.086  11.052
   60   2HG1  ILE  11          1HG1      ILE  11   1.003   2.329   9.552
   61   1HG2  ILE  11          2HG2      ILE  11  -1.105   5.629  11.390
   62   2HG2  ILE  11          3HG2      ILE  11  -1.161   4.009  12.111
   63   3HG2  ILE  11          1HG2      ILE  11   0.318   4.988  12.197
   64   1HD1  ILE  11          2HD1      ILE  11   2.650   3.747  10.749
   65   2HD1  ILE  11          3HD1      ILE  11   1.851   3.326  12.283
   66   3HD1  ILE  11          1HD1      ILE  11   2.595   2.062  11.294
   67    H    GLY  12           H        GLY  12  -3.818   4.055   9.248
   68   1HA   GLY  12          2HA       GLY  12  -5.368   5.778   9.112
   69   2HA   GLY  12          1HA       GLY  12  -4.076   6.963   9.251
   70    H    TYR  13           H        TYR  13  -4.129   4.549   6.687
   71    HA   TYR  13           HA       TYR  13  -5.291   6.358   4.642
   72   1HB   TYR  13          1HB       TYR  13  -2.893   6.951   4.914
   73   2HB   TYR  13          2HB       TYR  13  -2.435   5.322   4.455
   74    HD1  TYR  13           HD1      TYR  13  -5.103   5.961   2.215
   75    HD2  TYR  13           HD2      TYR  13  -1.145   7.440   3.144
   76    HE1  TYR  13           HE1      TYR  13  -4.766   6.589  -0.148
   77    HE2  TYR  13           HE2      TYR  13  -0.785   7.932   0.719
   78    HH   TYR  13           HH       TYR  13  -3.150   6.942  -1.736
   79    H    SER  14           H        SER  14  -6.852   5.004   3.948
   80    HA   SER  14           HA       SER  14  -6.333   2.086   3.469
   81   1HB   SER  14          1HB       SER  14  -8.753   3.435   4.760
   82   2HB   SER  14          2HB       SER  14  -8.529   1.691   4.519
   83    HG   SER  14           HG       SER  14  -7.928   2.362   6.654
   84    H    GLY  15           H        GLY  15  -7.572   1.001   1.801
   85   1HA   GLY  15          1HA       GLY  15  -9.607   0.819   0.592
   86   2HA   GLY  15          2HA       GLY  15  -9.739   2.563   0.472
   87    HA   PRO  16           HA       PRO  16  -8.386   0.642  -3.521
   88   1HB   PRO  16          2HB       PRO  16 -10.065   1.845  -5.288
   89   2HB   PRO  16          1HB       PRO  16 -10.626   0.644  -4.102
   90   1HG   PRO  16          1HG       PRO  16 -10.670   3.668  -3.771
   91   2HG   PRO  16          2HG       PRO  16 -12.060   2.559  -3.616
   92   1HD   PRO  16          1HD       PRO  16 -10.691   3.330  -1.432
   93   2HD   PRO  16          2HD       PRO  16 -11.235   1.634  -1.589
   94    H    THR  17           H        THR  17  -6.876   2.775  -2.253
   95    HA   THR  17           HA       THR  17  -5.914   4.639  -4.358
   96    HB   THR  17           HB       THR  17  -5.967   5.452  -2.078
   97    HG1  THR  17           HG1      THR  17  -3.317   4.806  -2.827
   98   1HG2  THR  17          3HG2      THR  17  -4.600   2.844  -1.369
   99   2HG2  THR  17          1HG2      THR  17  -4.264   4.273  -0.394
  100   3HG2  THR  17          2HG2      THR  17  -5.920   3.686  -0.551
  101    H    VAL  18           H        VAL  18  -5.805   2.161  -5.428
  102    HA   VAL  18           HA       VAL  18  -3.488   0.709  -4.312
  103    HB   VAL  18           HB       VAL  18  -5.723  -0.130  -4.027
  104   1HG1  VAL  18          3HG2      VAL  18  -6.676   0.371  -6.323
  105   2HG1  VAL  18          1HG2      VAL  18  -5.707  -0.982  -6.947
  106   3HG1  VAL  18          2HG2      VAL  18  -6.953  -1.271  -5.728
  107   1HG2  VAL  18          2HG1      VAL  18  -3.760  -1.583  -3.808
  108   2HG2  VAL  18          3HG1      VAL  18  -5.142  -2.473  -4.458
  109   3HG2  VAL  18          1HG1      VAL  18  -3.835  -1.967  -5.540
  110    H    CYS  19           H        CYS  19  -1.635   0.791  -5.356
  111    HA   CYS  19           HA       CYS  19  -0.963   0.930  -8.054
  112   1HB   CYS  19          2HB       CYS  19   0.552   1.011  -6.070
  113   2HB   CYS  19          1HB       CYS  19   0.315  -0.719  -5.834
  114    H    ALA  20           H        ALA  20   0.089  -0.881  -9.371
  115    HA   ALA  20           HA       ALA  20  -1.552  -3.052 -10.139
  116   1HB   ALA  20          2HB       ALA  20   0.286  -2.052 -11.491
  117   2HB   ALA  20          3HB       ALA  20   1.475  -2.726 -10.357
  118   3HB   ALA  20          1HB       ALA  20   0.470  -3.807 -11.342
  119    H    SER  21           H        SER  21  -0.419  -5.405 -10.140
  120    HA   SER  21           HA       SER  21  -0.816  -6.309  -7.393
  121   1HB   SER  21          1HB       SER  21  -1.577  -7.520  -9.567
  122   2HB   SER  21          2HB       SER  21   0.080  -8.128  -9.640
  123    HG   SER  21           HG       SER  21  -1.857  -8.492  -7.569
  124    H    GLY  22           H        GLY  22   0.655  -8.293  -6.774
  125   1HA   GLY  22          1HA       GLY  22   3.356  -8.526  -6.825
  126   2HA   GLY  22          2HA       GLY  22   3.210  -7.038  -5.882
  127    H    THR  23           H        THR  23   1.501  -7.218  -4.112
  128    HA   THR  23           HA       THR  23   0.491  -8.205  -2.270
  129    HB   THR  23           HB       THR  23   1.862 -10.873  -2.584
  130    HG1  THR  23           HG1      THR  23   0.955 -10.401  -4.546
  131   1HG2  THR  23          3HG2      THR  23  -0.885 -10.005  -1.533
  132   2HG2  THR  23          1HG2      THR  23  -0.259 -11.665  -1.587
  133   3HG2  THR  23          2HG2      THR  23   0.497 -10.476  -0.527
  134    H    THR  24           H        THR  24   2.779  -6.670  -2.313
  135    HA   THR  24           HA       THR  24   4.507  -7.572  -0.070
  136    HB   THR  24           HB       THR  24   6.165  -6.081  -1.357
  137    HG1  THR  24           HG1      THR  24   5.638  -5.799  -3.529
  138   1HG2  THR  24          2HG2      THR  24   6.192  -8.593  -1.443
  139   2HG2  THR  24          3HG2      THR  24   5.112  -8.525  -2.854
  140   3HG2  THR  24          1HG2      THR  24   6.735  -7.820  -2.936
  141    H    CYS  25           H        CYS  25   2.867  -6.548   1.359
  142    HA   CYS  25           HA       CYS  25   2.535  -3.692   1.444
  143   1HB   CYS  25          1HB       CYS  25   1.014  -5.508   2.377
  144   2HB   CYS  25          2HB       CYS  25   2.140  -5.643   3.732
  145    H    GLN  26           H        GLN  26   4.893  -3.281   1.105
  146    HA   GLN  26           HA       GLN  26   6.412  -2.947   3.662
  147   1HB   GLN  26          1HB       GLN  26   7.394  -4.508   2.070
  148   2HB   GLN  26          2HB       GLN  26   7.372  -3.307   0.793
  149   1HG   GLN  26          2HG       GLN  26   9.638  -3.599   1.738
  150   2HG   GLN  26          1HG       GLN  26   9.075  -1.951   1.922
  151   1HE2  GLN  26          1HE2      GLN  26   8.997  -4.007   5.465
  152   2HE2  GLN  26          2HE2      GLN  26   8.066  -4.663   4.111
  153    H    VAL  27           H        VAL  27   7.781  -1.041   3.904
  154    HA   VAL  27           HA       VAL  27   5.962   1.208   3.621
  155    HB   VAL  27           HB       VAL  27   6.854   0.332   5.770
  156   1HG1  VAL  27          3HG2      VAL  27   9.241  -0.020   5.114
  157   2HG1  VAL  27          1HG2      VAL  27   9.460   1.732   4.983
  158   3HG1  VAL  27          2HG2      VAL  27   9.081   1.002   6.547
  159   1HG2  VAL  27          2HG1      VAL  27   5.871   2.611   5.561
  160   2HG2  VAL  27          3HG1      VAL  27   7.100   2.460   6.841
  161   3HG2  VAL  27          1HG1      VAL  27   7.517   3.246   5.318
  162    H    LEU  28           H        LEU  28   6.315   3.271   2.845
  163    HA   LEU  28           HA       LEU  28   9.078   4.072   1.927
  164   1HB   LEU  28          1HB       LEU  28   6.344   5.346   1.456
  165   2HB   LEU  28          2HB       LEU  28   7.861   6.228   1.310
  166    HG   LEU  28           HG       LEU  28   8.643   4.452  -0.348
  167   1HD1  LEU  28          3HD1      LEU  28   5.661   3.841  -0.332
  168   2HD1  LEU  28          1HD1      LEU  28   6.793   3.316  -1.596
  169   3HD1  LEU  28          2HD1      LEU  28   6.962   2.693   0.043
  170   1HD2  LEU  28          3HD2      LEU  28   6.287   6.250  -1.066
  171   2HD2  LEU  28          1HD2      LEU  28   7.993   6.732  -1.009
  172   3HD2  LEU  28          2HD2      LEU  28   7.448   5.560  -2.214
  173    H    ASN  29           H        ASN  29   6.634   6.156   3.401
  174    HA   ASN  29           HA       ASN  29   8.139   6.300   5.971
  175   1HB   ASN  29          1HB       ASN  29   6.743   8.212   6.505
  176   2HB   ASN  29          2HB       ASN  29   7.632   8.477   5.006
  177   1HD2  ASN  29          1HD2      ASN  29   3.878   9.283   4.726
  178   2HD2  ASN  29          2HD2      ASN  29   4.941   9.617   6.095
  179    HA   PRO  30           HA       PRO  30   5.432   3.455   8.186
  180   1HB   PRO  30          2HB       PRO  30   5.113   5.964   9.882
  181   2HB   PRO  30          1HB       PRO  30   5.164   4.265  10.436
  182   1HG   PRO  30          1HG       PRO  30   7.445   5.709  10.463
  183   2HG   PRO  30          2HG       PRO  30   7.473   4.052   9.796
  184   1HD   PRO  30          1HD       PRO  30   7.488   6.669   8.314
  185   2HD   PRO  30          2HD       PRO  30   8.296   5.126   7.913
  186    H    TYR  31           H        TYR  31   4.003   6.709   7.675
  187    HA   TYR  31           HA       TYR  31   1.303   5.875   8.032
  188   1HB   TYR  31          1HB       TYR  31   2.457   8.383   6.808
  189   2HB   TYR  31          2HB       TYR  31   0.746   8.107   7.095
  190    HD1  TYR  31           HD1      TYR  31  -0.213   8.014   9.355
  191    HD2  TYR  31           HD2      TYR  31   4.013   8.698   8.786
  192    HE1  TYR  31           HE1      TYR  31   0.099   8.160  11.818
  193    HE2  TYR  31           HE2      TYR  31   4.280   8.991  11.246
  194    HH   TYR  31           HH       TYR  31   3.274   8.870  13.268
  195    H    TYR  32           H        TYR  32   3.222   5.537   5.081
  196    HA   TYR  32           HA       TYR  32   0.926   4.072   4.067
  197   1HB   TYR  32          2HB       TYR  32   0.048   5.329   2.608
  198   2HB   TYR  32          1HB       TYR  32   1.009   6.662   3.198
  199    HD1  TYR  32           HD1      TYR  32   1.149   3.756   0.805
  200    HD2  TYR  32           HD2      TYR  32   1.973   7.939   1.465
  201    HE1  TYR  32           HE1      TYR  32   1.592   4.054  -1.622
  202    HE2  TYR  32           HE2      TYR  32   2.366   8.230  -0.972
  203    HH   TYR  32           HH       TYR  32   2.583   7.194  -2.967
  204    H    SER  33           H        SER  33   1.595   2.194   3.852
  205    HA   SER  33           HA       SER  33   4.070   1.361   2.501
  206   1HB   SER  33          1HB       SER  33   3.387  -0.029   4.334
  207   2HB   SER  33          2HB       SER  33   1.709  -0.093   3.768
  208    HG   SER  33           HG       SER  33   3.872  -1.144   2.250
  209    H    GLN  34           H        GLN  34   4.197   0.311   0.513
  210    HA   GLN  34           HA       GLN  34   2.023   1.179  -1.387
  211   1HB   GLN  34          1HB       GLN  34   3.681   2.835  -0.922
  212   2HB   GLN  34          2HB       GLN  34   4.977   1.771  -1.424
  213   1HG   GLN  34          1HG       GLN  34   2.797   2.383  -3.461
  214   2HG   GLN  34          2HG       GLN  34   3.818   3.720  -2.951
  215   1HE2  GLN  34          1HE2      GLN  34   4.110   3.443  -5.491
  216   2HE2  GLN  34          2HE2      GLN  34   5.568   2.499  -5.844
  217    H    CYS  35           H        CYS  35   5.060  -0.071  -2.726
  218    HA   CYS  35           HA       CYS  35   3.664  -2.497  -3.758
  219   1HB   CYS  35          1HB       CYS  35   2.740  -0.285  -4.757
  220   2HB   CYS  35          2HB       CYS  35   4.291  -0.118  -5.559
  221    H    LEU  36           H        LEU  36   5.719  -3.258  -2.657
  222    HA   LEU  36           HA       LEU  36   8.075  -3.161  -4.479
  223   1HB   LEU  36          1HB       LEU  36   8.638  -2.983  -1.532
  224   2HB   LEU  36          2HB       LEU  36   9.553  -2.452  -2.928
  225    HG   LEU  36           HG       LEU  36   7.600  -0.631  -3.134
  226   1HD1  LEU  36          3HD1      LEU  36   6.300  -1.763  -1.156
  227   2HD1  LEU  36          1HD1      LEU  36   7.609  -1.171  -0.128
  228   3HD1  LEU  36          2HD1      LEU  36   6.593  -0.019  -1.006
  229   1HD2  LEU  36          3HD2      LEU  36   9.773  -0.490  -1.001
  230   2HD2  LEU  36          1HD2      LEU  36   9.933  -0.046  -2.715
  231   3HD2  LEU  36          2HD2      LEU  36   8.867   0.891  -1.655
   
  No H/Q in entry =         231