*HEADER   CELLULASE                               25-NOV-97   1AZ6    
*TITLE    THREE-DIMENSIONAL STRUCTURES OF THREE ENGINEERED            
*TITLE   2 CELLULOSE-BINDING DOMAINS OF CELLOBIOHYDROLASE I FROM      
*TITLE   3 TRICHODERMA REESEI, NMR, 23 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, 23 STRUCTURES                                          
*AUTHOR   M.-L.MATTINEN                                               
*REVDAT  1   08-APR-98 1AZ6    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  -8.483  -8.602  -3.350
    2   2H    THR   1          3H        THR   1  -8.826  -9.911  -4.315
    3   3H    THR   1          1H        THR   1  -7.834 -10.089  -3.026
    4    HA   THR   1           HA       THR   1  -6.117  -8.851  -4.055
    5    HB   THR   1           HB       THR   1  -5.735 -10.282  -6.119
    6    HG1  THR   1           HG1      THR   1  -7.649 -10.873  -6.941
    7   1HG2  THR   1          2HG2      THR   1  -5.193 -11.128  -3.777
    8   2HG2  THR   1          3HG2      THR   1  -6.776 -11.941  -3.772
    9   3HG2  THR   1          1HG2      THR   1  -5.568 -12.371  -4.981
   10    H    GLN   2           H        GLN   2  -6.295  -6.637  -4.661
   11    HA   GLN   2           HA       GLN   2  -7.770  -5.963  -7.182
   12   1HB   GLN   2          2HB       GLN   2  -9.067  -5.303  -5.235
   13   2HB   GLN   2          1HB       GLN   2  -7.675  -4.476  -4.535
   14   1HG   GLN   2          1HG       GLN   2  -9.225  -2.864  -5.576
   15   2HG   GLN   2          2HG       GLN   2  -7.658  -2.844  -6.379
   16   1HE2  GLN   2          2HE2      GLN   2  -9.285  -3.311  -9.475
   17   2HE2  GLN   2          1HE2      GLN   2  -7.989  -2.499  -8.597
   18    H    SER   3           H        SER   3  -6.744  -4.639  -8.667
   19    HA   SER   3           HA       SER   3  -3.857  -4.518  -8.407
   20   1HB   SER   3          1HB       SER   3  -3.925  -3.921 -10.766
   21   2HB   SER   3          2HB       SER   3  -5.009  -5.274 -10.436
   22    HG   SER   3           HG       SER   3  -5.733  -2.529 -10.711
   23    H    HIS   4           H        HIS   4  -4.240  -2.828  -6.450
   24    HA   HIS   4           HA       HIS   4  -4.221  -0.045  -7.150
   25   1HB   HIS   4          1HB       HIS   4  -2.885  -1.456  -4.814
   26   2HB   HIS   4          2HB       HIS   4  -3.009   0.283  -5.024
   27    HD2  HIS   4           HD2      HIS   4  -4.581   0.826  -2.935
   28    HE1  HIS   4           HE1      HIS   4  -7.707  -1.872  -3.838
   29    HE2  HIS   4           HE2      HIS   4  -6.943  -0.047  -2.237
   30    H    ALA   5           H        ALA   5  -2.988   0.374  -8.961
   31    HA   ALA   5           HA       ALA   5  -0.290  -0.211  -9.497
   32   1HB   ALA   5          3HB       ALA   5  -1.934   2.245 -10.204
   33   2HB   ALA   5          1HB       ALA   5  -0.397   1.782 -10.965
   34   3HB   ALA   5          2HB       ALA   5  -1.818   0.737 -11.138
   35    H    GLY   6           H        GLY   6   0.624  -0.120  -7.309
   36   1HA   GLY   6          1HA       GLY   6   2.605   0.844  -6.382
   37   2HA   GLY   6          2HA       GLY   6   2.083   2.465  -6.822
   38    H    GLN   7           H        GLN   7   0.142   3.349  -5.533
   39    HA   GLN   7           HA       GLN   7   0.732   2.925  -2.732
   40   1HB   GLN   7          1HB       GLN   7   0.325   5.110  -3.672
   41   2HB   GLN   7          2HB       GLN   7  -1.378   4.720  -3.957
   42   1HG   GLN   7          1HG       GLN   7  -1.770   4.462  -1.548
   43   2HG   GLN   7          2HG       GLN   7  -0.033   4.545  -1.208
   44   1HE2  GLN   7          2HE2      GLN   7  -1.386   7.815  -0.287
   45   2HE2  GLN   7          1HE2      GLN   7  -1.565   6.145   0.284
   46    H    CYS   8           H        CYS   8   0.204   0.653  -2.510
   47    HA   CYS   8           HA       CYS   8  -2.433  -0.393  -2.270
   48   1HB   CYS   8          1HB       CYS   8  -1.530  -2.046  -0.802
   49   2HB   CYS   8          2HB       CYS   8  -0.348  -1.731  -2.062
   50    H    GLY   9           H        GLY   9  -0.590   1.567   0.068
   51   1HA   GLY   9          1HA       GLY   9  -3.102   2.247   1.562
   52   2HA   GLY   9          2HA       GLY   9  -1.768   1.481   2.409
   53    H    GLY  10           H        GLY  10  -0.334   2.825   3.326
   54   1HA   GLY  10          2HA       GLY  10   0.869   4.868   3.757
   55   2HA   GLY  10          1HA       GLY  10  -0.222   5.765   2.702
   56    H    ILE  11           H        ILE  11   0.420   4.902   5.957
   57    HA   ILE  11           HA       ILE  11  -2.147   4.368   6.966
   58    HB   ILE  11           HB       ILE  11   0.263   5.429   8.461
   59   1HG1  ILE  11          2HG1      ILE  11  -0.748   2.583   7.919
   60   2HG1  ILE  11          1HG1      ILE  11   0.660   3.318   7.159
   61   1HG2  ILE  11          2HG2      ILE  11  -1.869   5.656   9.773
   62   2HG2  ILE  11          3HG2      ILE  11  -2.206   3.938   9.488
   63   3HG2  ILE  11          1HG2      ILE  11  -0.811   4.437  10.461
   64   1HD1  ILE  11          2HD1      ILE  11   1.707   3.569   9.442
   65   2HD1  ILE  11          3HD1      ILE  11   0.385   2.558  10.077
   66   3HD1  ILE  11          1HD1      ILE  11   1.491   1.909   8.860
   67    H    GLY  12           H        GLY  12  -3.899   5.535   7.280
   68   1HA   GLY  12          2HA       GLY  12  -5.175   7.617   7.703
   69   2HA   GLY  12          1HA       GLY  12  -3.821   8.545   7.066
   70    H    TYR  13           H        TYR  13  -4.400   5.666   5.329
   71    HA   TYR  13           HA       TYR  13  -4.812   6.724   2.872
   72   1HB   TYR  13          1HB       TYR  13  -5.749   4.316   2.357
   73   2HB   TYR  13          2HB       TYR  13  -4.095   4.600   2.814
   74    HD1  TYR  13           HD2      TYR  13  -7.413   3.633   4.391
   75    HD2  TYR  13           HD1      TYR  13  -3.114   3.200   4.433
   76    HE1  TYR  13           HE2      TYR  13  -7.567   2.264   6.444
   77    HE2  TYR  13           HE1      TYR  13  -3.291   1.767   6.462
   78    HH   TYR  13           HH       TYR  13  -6.434   0.976   7.907
   79    H    SER  14           H        SER  14  -6.370   7.933   1.956
   80    HA   SER  14           HA       SER  14  -9.168   7.885   2.674
   81   1HB   SER  14          1HB       SER  14  -7.877   8.998   0.152
   82   2HB   SER  14          2HB       SER  14  -9.433   9.467   0.854
   83    HG   SER  14           HG       SER  14  -8.059  10.031   2.795
   84    H    GLY  15           H        GLY  15  -8.637   5.205   2.230
   85   1HA   GLY  15          2HA       GLY  15 -10.614   4.248   0.572
   86   2HA   GLY  15          1HA       GLY  15  -9.204   4.344  -0.503
   87    HA   PRO  16           HA       PRO  16  -9.671   0.235   1.756
   88   1HB   PRO  16          2HB       PRO  16  -9.660  -0.925  -1.022
   89   2HB   PRO  16          1HB       PRO  16 -10.715  -1.315   0.361
   90   1HG   PRO  16          2HG       PRO  16 -11.625   0.184  -1.714
   91   2HG   PRO  16          1HG       PRO  16 -12.042   0.642  -0.038
   92   1HD   PRO  16          2HD       PRO  16  -9.789   1.766  -1.750
   93   2HD   PRO  16          1HD       PRO  16 -11.067   2.635  -0.869
   94    H    THR  17           H        THR  17  -7.717  -0.418   2.636
   95    HA   THR  17           HA       THR  17  -5.247   0.059   1.563
   96    HB   THR  17           HB       THR  17  -5.726  -2.009   3.737
   97    HG1  THR  17           HG1      THR  17  -5.961   0.806   3.871
   98   1HG2  THR  17          3HG2      THR  17  -3.658   0.228   3.409
   99   2HG2  THR  17          1HG2      THR  17  -3.839  -0.786   4.852
  100   3HG2  THR  17          2HG2      THR  17  -3.310  -1.505   3.335
  101    H    VAL  18           H        VAL  18  -6.971  -2.548   0.368
  102    HA   VAL  18           HA       VAL  18  -4.762  -4.536   0.510
  103    HB   VAL  18           HB       VAL  18  -6.819  -5.162   1.499
  104   1HG1  VAL  18          2HG1      VAL  18  -8.454  -3.912   0.058
  105   2HG1  VAL  18          3HG1      VAL  18  -8.199  -5.121  -1.215
  106   3HG1  VAL  18          1HG1      VAL  18  -8.875  -5.599   0.345
  107   1HG2  VAL  18          3HG2      VAL  18  -5.372  -6.902   0.513
  108   2HG2  VAL  18          1HG2      VAL  18  -7.079  -7.363   0.475
  109   3HG2  VAL  18          2HG2      VAL  18  -6.285  -6.805  -1.008
  110    H    CYS  19           H        CYS  19  -3.341  -4.472  -1.152
  111    HA   CYS  19           HA       CYS  19  -4.072  -3.969  -3.892
  112   1HB   CYS  19          2HB       CYS  19  -1.857  -3.463  -2.758
  113   2HB   CYS  19          1HB       CYS  19  -1.426  -5.148  -3.020
  114    H    ALA  20           H        ALA  20  -2.489  -5.995  -5.275
  115    HA   ALA  20           HA       ALA  20  -4.455  -8.173  -5.499
  116   1HB   ALA  20          3HB       ALA  20  -2.538  -6.910  -7.484
  117   2HB   ALA  20          1HB       ALA  20  -3.625  -8.269  -7.843
  118   3HB   ALA  20          2HB       ALA  20  -4.292  -6.711  -7.400
  119    H    SER  21           H        SER  21  -0.889  -7.761  -5.628
  120    HA   SER  21           HA       SER  21  -0.085 -10.094  -4.410
  121   1HB   SER  21          1HB       SER  21  -1.194 -11.294  -6.389
  122   2HB   SER  21          2HB       SER  21  -0.003 -10.529  -7.440
  123    HG   SER  21           HG       SER  21   0.622 -12.239  -5.229
  124    H    GLY  22           H        GLY  22   2.198 -10.746  -5.944
  125   1HA   GLY  22          2HA       GLY  22   4.400  -9.750  -6.377
  126   2HA   GLY  22          1HA       GLY  22   3.967  -8.367  -5.368
  127    H    THR  23           H        THR  23   4.808  -8.572  -3.290
  128    HA   THR  23           HA       THR  23   4.396 -11.194  -1.880
  129    HB   THR  23           HB       THR  23   6.741 -11.070  -2.237
  130    HG1  THR  23           HG1      THR  23   7.311 -11.038   0.064
  131   1HG2  THR  23          2HG2      THR  23   7.157  -8.630  -2.356
  132   2HG2  THR  23          3HG2      THR  23   6.827  -8.494  -0.619
  133   3HG2  THR  23          1HG2      THR  23   8.210  -9.433  -1.184
  134    H    THR  24           H        THR  24   4.768  -7.642  -1.346
  135    HA   THR  24           HA       THR  24   2.832  -7.831   0.924
  136    HB   THR  24           HB       THR  24   4.332  -6.500   2.354
  137    HG1  THR  24           HG1      THR  24   5.958  -6.552   0.086
  138   1HG2  THR  24          2HG2      THR  24   4.362  -9.020   2.442
  139   2HG2  THR  24          3HG2      THR  24   5.790  -8.988   1.394
  140   3HG2  THR  24          1HG2      THR  24   5.861  -8.213   2.978
  141    H    CYS  25           H        CYS  25   2.197  -5.857   1.903
  142    HA   CYS  25           HA       CYS  25   1.987  -3.470   0.117
  143   1HB   CYS  25          1HB       CYS  25  -0.130  -4.333   0.917
  144   2HB   CYS  25          2HB       CYS  25   0.425  -4.277   2.595
  145    H    GLN  26           H        GLN  26   4.199  -2.970   0.373
  146    HA   GLN  26           HA       GLN  26   5.438  -3.228   2.972
  147   1HB   GLN  26          1HB       GLN  26   6.322  -4.030   0.692
  148   2HB   GLN  26          2HB       GLN  26   6.740  -2.358   0.357
  149   1HG   GLN  26          2HG       GLN  26   8.655  -3.670   1.230
  150   2HG   GLN  26          1HG       GLN  26   8.280  -2.295   2.273
  151   1HE2  GLN  26          1HE2      GLN  26   7.481  -6.085   3.669
  152   2HE2  GLN  26          2HE2      GLN  26   7.292  -5.768   1.953
  153    H    VAL  27           H        VAL  27   6.354  -1.700   4.294
  154    HA   VAL  27           HA       VAL  27   5.675   1.099   3.969
  155    HB   VAL  27           HB       VAL  27   5.682   0.101   6.135
  156   1HG1  VAL  27          1HG2      VAL  27   8.681  -0.381   5.802
  157   2HG1  VAL  27          2HG2      VAL  27   7.808  -0.427   7.341
  158   3HG1  VAL  27          3HG2      VAL  27   7.397  -1.579   6.061
  159   1HG2  VAL  27          3HG1      VAL  27   6.109   2.502   5.904
  160   2HG2  VAL  27          1HG1      VAL  27   6.869   1.846   7.360
  161   3HG2  VAL  27          2HG1      VAL  27   7.867   2.218   5.941
  162    H    LEU  28           H        LEU  28   6.748   2.718   3.013
  163    HA   LEU  28           HA       LEU  28   9.709   2.589   2.456
  164   1HB   LEU  28          1HB       LEU  28   7.447   4.396   1.507
  165   2HB   LEU  28          2HB       LEU  28   9.142   4.855   1.364
  166    HG   LEU  28           HG       LEU  28   9.607   2.859  -0.016
  167   1HD1  LEU  28          1HD2      LEU  28   6.596   2.386   0.207
  168   2HD1  LEU  28          2HD2      LEU  28   7.631   1.676  -1.054
  169   3HD1  LEU  28          3HD2      LEU  28   7.902   1.255   0.633
  170   1HD2  LEU  28          2HD1      LEU  28   9.030   5.057  -1.026
  171   2HD2  LEU  28          3HD1      LEU  28   8.468   3.710  -2.032
  172   3HD2  LEU  28          1HD1      LEU  28   7.312   4.606  -1.024
  173    H    ASN  29           H        ASN  29   7.548   5.162   3.464
  174    HA   ASN  29           HA       ASN  29   8.912   5.497   6.107
  175   1HB   ASN  29          1HB       ASN  29   7.434   7.561   4.389
  176   2HB   ASN  29          2HB       ASN  29   7.715   7.784   6.102
  177   1HD2  ASN  29          1HD2      ASN  29  10.941   8.087   3.641
  178   2HD2  ASN  29          2HD2      ASN  29   9.546   7.177   3.047
  179    HA   PRO  30           HA       PRO  30   5.332   3.752   7.987
  180   1HB   PRO  30          2HB       PRO  30   4.535   5.731   9.876
  181   2HB   PRO  30          1HB       PRO  30   5.718   4.426  10.097
  182   1HG   PRO  30          1HG       PRO  30   6.247   7.290   9.283
  183   2HG   PRO  30          2HG       PRO  30   7.144   6.295  10.455
  184   1HD   PRO  30          2HD       PRO  30   8.124   6.642   8.004
  185   2HD   PRO  30          1HD       PRO  30   8.145   4.998   8.687
  186    H    TYR  31           H        TYR  31   4.719   7.170   7.150
  187    HA   TYR  31           HA       TYR  31   1.875   6.742   6.648
  188   1HB   TYR  31          1HB       TYR  31   3.714   9.130   6.302
  189   2HB   TYR  31          2HB       TYR  31   1.996   9.153   5.961
  190    HD1  TYR  31           HD1      TYR  31   4.488   8.781   8.736
  191    HD2  TYR  31           HD2      TYR  31   0.321   9.176   7.683
  192    HE1  TYR  31           HE1      TYR  31   3.867   8.806  11.154
  193    HE2  TYR  31           HE2      TYR  31  -0.288   9.169  10.088
  194    HH   TYR  31           HH       TYR  31   0.462   8.891  12.184
  195    H    TYR  32           H        TYR  32   4.367   5.771   4.712
  196    HA   TYR  32           HA       TYR  32   2.659   5.825   2.273
  197   1HB   TYR  32          1HB       TYR  32   4.503   7.558   2.168
  198   2HB   TYR  32          2HB       TYR  32   5.650   6.239   2.074
  199    HD1  TYR  32           HD2      TYR  32   4.820   4.331   0.146
  200    HD2  TYR  32           HD1      TYR  32   4.012   8.586   0.119
  201    HE1  TYR  32           HE2      TYR  32   4.189   4.218  -2.251
  202    HE2  TYR  32           HE1      TYR  32   3.528   8.461  -2.317
  203    HH   TYR  32           HH       TYR  32   3.270   7.094  -4.105
  204    H    SER  33           H        SER  33   2.012   3.775   2.292
  205    HA   SER  33           HA       SER  33   4.026   1.573   2.261
  206   1HB   SER  33          1HB       SER  33   2.581   1.185   4.107
  207   2HB   SER  33          2HB       SER  33   1.143   1.490   3.115
  208    HG   SER  33           HG       SER  33   2.720  -0.816   3.157
  209    H    GLN  34           H        GLN  34   4.240   0.395   0.489
  210    HA   GLN  34           HA       GLN  34   2.649   1.046  -1.941
  211   1HB   GLN  34          1HB       GLN  34   4.891   2.140  -1.607
  212   2HB   GLN  34          2HB       GLN  34   5.645   0.552  -1.706
  213   1HG   GLN  34          1HG       GLN  34   4.852   0.306  -4.038
  214   2HG   GLN  34          2HG       GLN  34   3.903   1.785  -3.900
  215   1HE2  GLN  34          2HE2      GLN  34   6.687   3.860  -4.600
  216   2HE2  GLN  34          1HE2      GLN  34   4.999   3.879  -4.094
  217    H    CYS  35           H        CYS  35   2.452  -0.510  -3.577
  218    HA   CYS  35           HA       CYS  35   2.074  -3.241  -2.701
  219   1HB   CYS  35          1HB       CYS  35   0.566  -1.915  -4.212
  220   2HB   CYS  35          2HB       CYS  35   1.777  -2.034  -5.475
  221    H    LEU  36           H        LEU  36   4.196  -3.914  -2.150
  222    HA   LEU  36           HA       LEU  36   6.070  -4.694  -4.361
  223   1HB   LEU  36          1HB       LEU  36   6.592  -3.422  -1.671
  224   2HB   LEU  36          2HB       LEU  36   7.732  -4.621  -2.259
  225    HG   LEU  36           HG       LEU  36   8.280  -3.331  -4.207
  226   1HD1  LEU  36          1HD2      LEU  36   6.221  -1.341  -3.174
  227   2HD1  LEU  36          2HD2      LEU  36   7.456  -0.953  -4.399
  228   3HD1  LEU  36          3HD2      LEU  36   6.229  -2.171  -4.749
  229   1HD2  LEU  36          2HD1      LEU  36   9.457  -2.933  -2.029
  230   2HD2  LEU  36          3HD1      LEU  36   9.427  -1.477  -3.039
  231   3HD2  LEU  36          1HD1      LEU  36   8.317  -1.624  -1.667
   
  No H/Q in entry =         231
  Start of MODEL    2
    1   1H    THR   1          2H        THR   1  -0.201 -11.555  -7.602
    2   2H    THR   1          3H        THR   1  -1.718 -12.008  -7.175
    3   3H    THR   1          1H        THR   1  -0.943 -12.749  -8.447
    4    HA   THR   1           HA       THR   1  -2.577 -11.250  -9.316
    5    HB   THR   1           HB       THR   1  -1.273  -9.254  -7.423
    6    HG1  THR   1           HG1      THR   1  -2.962  -9.748  -6.257
    7   1HG2  THR   1          3HG2      THR   1  -3.568  -8.702  -9.374
    8   2HG2  THR   1          1HG2      THR   1  -3.000  -7.647  -8.065
    9   3HG2  THR   1          2HG2      THR   1  -1.940  -7.955  -9.422
   10    H    GLN   2           H        GLN   2  -2.335  -9.777 -11.150
   11    HA   GLN   2           HA       GLN   2   0.458  -9.505 -12.171
   12   1HB   GLN   2          2HB       GLN   2  -0.983 -10.854 -13.587
   13   2HB   GLN   2          1HB       GLN   2  -2.224  -9.598 -13.607
   14   1HG   GLN   2          1HG       GLN   2  -0.955  -9.607 -15.696
   15   2HG   GLN   2          2HG       GLN   2  -0.722  -8.079 -14.865
   16   1HE2  GLN   2          2HE2      GLN   2   2.778  -8.710 -14.332
   17   2HE2  GLN   2          1HE2      GLN   2   1.436  -7.774 -13.668
   18    H    SER   3           H        SER   3  -2.642  -7.688 -12.337
   19    HA   SER   3           HA       SER   3  -1.253  -5.160 -12.815
   20   1HB   SER   3          1HB       SER   3  -4.231  -5.715 -12.567
   21   2HB   SER   3          2HB       SER   3  -3.443  -4.301 -13.285
   22    HG   SER   3           HG       SER   3  -3.972  -5.736 -14.952
   23    H    HIS   4           H        HIS   4  -0.207  -5.222 -10.537
   24    HA   HIS   4           HA       HIS   4  -1.696  -4.602  -8.200
   25   1HB   HIS   4          1HB       HIS   4   1.155  -3.930  -9.002
   26   2HB   HIS   4          2HB       HIS   4   0.485  -3.622  -7.406
   27    HD2  HIS   4           HD2      HIS   4   1.661  -5.386  -5.845
   28    HE1  HIS   4           HE1      HIS   4   1.365  -8.775  -8.344
   29    HE2  HIS   4           HE2      HIS   4   2.213  -7.917  -6.087
   30    H    ALA   5           H        ALA   5  -2.477  -2.772  -7.310
   31    HA   ALA   5           HA       ALA   5  -2.776  -0.293  -8.811
   32   1HB   ALA   5          2HB       ALA   5  -4.610  -1.253  -7.447
   33   2HB   ALA   5          3HB       ALA   5  -3.636  -1.015  -5.979
   34   3HB   ALA   5          1HB       ALA   5  -4.185   0.378  -6.917
   35    H    GLY   6           H        GLY   6  -2.405   1.831  -7.757
   36   1HA   GLY   6          1HA       GLY   6   0.317   2.363  -7.435
   37   2HA   GLY   6          2HA       GLY   6  -0.975   3.495  -7.062
   38    H    GLN   7           H        GLN   7  -2.109   2.776  -4.801
   39    HA   GLN   7           HA       GLN   7   0.029   2.544  -2.711
   40   1HB   GLN   7          1HB       GLN   7  -1.106   4.733  -2.843
   41   2HB   GLN   7          2HB       GLN   7  -2.664   3.936  -2.608
   42   1HG   GLN   7          2HG       GLN   7  -2.051   3.286  -0.331
   43   2HG   GLN   7          1HG       GLN   7  -0.377   3.826  -0.586
   44   1HE2  GLN   7          2HE2      GLN   7  -1.594   6.648   1.210
   45   2HE2  GLN   7          1HE2      GLN   7  -0.726   5.127   1.425
   46    H    CYS   8           H        CYS   8  -0.579   1.433  -0.726
   47    HA   CYS   8           HA       CYS   8  -2.751  -0.633  -1.007
   48   1HB   CYS   8          1HB       CYS   8  -0.570  -1.653  -0.808
   49   2HB   CYS   8          2HB       CYS   8  -0.182  -0.673   0.609
   50    H    GLY   9           H        GLY   9  -1.203   1.460   1.458
   51   1HA   GLY   9          1HA       GLY   9  -3.507   2.631   2.595
   52   2HA   GLY   9          2HA       GLY   9  -3.342   1.070   3.398
   53    H    GLY  10           H        GLY  10  -2.013   4.295   3.166
   54   1HA   GLY  10          1HA       GLY  10   0.419   3.719   4.755
   55   2HA   GLY  10          2HA       GLY  10  -0.085   5.282   4.128
   56    H    ILE  11           H        ILE  11   0.972   4.919   6.730
   57    HA   ILE  11           HA       ILE  11  -0.921   4.890   8.841
   58    HB   ILE  11           HB       ILE  11   1.639   6.502   8.564
   59   1HG1  ILE  11          2HG1      ILE  11   1.096   3.763   9.819
   60   2HG1  ILE  11          1HG1      ILE  11   1.984   4.057   8.326
   61   1HG2  ILE  11          2HG2      ILE  11   0.135   7.379  10.386
   62   2HG2  ILE  11          3HG2      ILE  11   0.136   5.761  11.113
   63   3HG2  ILE  11          1HG2      ILE  11   1.634   6.706  10.994
   64   1HD1  ILE  11          2HD1      ILE  11   3.654   5.425   9.683
   65   2HD1  ILE  11          3HD1      ILE  11   2.846   4.796  11.138
   66   3HD1  ILE  11          1HD1      ILE  11   3.620   3.682  10.006
   67    H    GLY  12           H        GLY  12  -2.541   6.271   9.436
   68   1HA   GLY  12          1HA       GLY  12  -3.871   8.215   9.459
   69   2HA   GLY  12          2HA       GLY  12  -2.800   9.033   8.332
   70    H    TYR  13           H        TYR  13  -2.770   7.467   6.057
   71    HA   TYR  13           HA       TYR  13  -5.563   7.512   5.104
   72   1HB   TYR  13          1HB       TYR  13  -3.632   8.313   3.749
   73   2HB   TYR  13          2HB       TYR  13  -3.167   6.639   3.491
   74    HD1  TYR  13           HD1      TYR  13  -6.588   6.111   3.357
   75    HD2  TYR  13           HD2      TYR  13  -3.589   8.421   1.231
   76    HE1  TYR  13           HE1      TYR  13  -8.032   6.185   1.380
   77    HE2  TYR  13           HE2      TYR  13  -5.139   8.566  -0.711
   78    HH   TYR  13           HH       TYR  13  -8.186   6.781  -0.858
   79    H    SER  14           H        SER  14  -5.915   5.957   6.936
   80    HA   SER  14           HA       SER  14  -5.743   3.059   6.241
   81   1HB   SER  14          1HB       SER  14  -6.843   4.543   8.672
   82   2HB   SER  14          2HB       SER  14  -6.723   2.790   8.516
   83    HG   SER  14           HG       SER  14  -4.360   4.124   7.960
   84    H    GLY  15           H        GLY  15  -7.074   3.755   4.226
   85   1HA   GLY  15          2HA       GLY  15  -9.932   3.178   4.561
   86   2HA   GLY  15          1HA       GLY  15  -9.581   4.890   4.272
   87    HA   PRO  16           HA       PRO  16 -10.672   2.842   0.230
   88   1HB   PRO  16          2HB       PRO  16 -11.223   5.797  -0.198
   89   2HB   PRO  16          1HB       PRO  16 -12.080   4.397  -0.901
   90   1HG   PRO  16          2HG       PRO  16 -13.115   5.573   1.281
   91   2HG   PRO  16          1HG       PRO  16 -12.939   3.791   1.296
   92   1HD   PRO  16          1HD       PRO  16 -11.086   5.854   2.533
   93   2HD   PRO  16          2HD       PRO  16 -11.750   4.361   3.255
   94    H    THR  17           H        THR  17  -8.205   2.500   0.228
   95    HA   THR  17           HA       THR  17  -7.525   3.165  -2.535
   96    HB   THR  17           HB       THR  17  -6.531   5.065  -1.329
   97    HG1  THR  17           HG1      THR  17  -4.503   4.846  -2.291
   98   1HG2  THR  17          2HG2      THR  17  -5.882   3.828   0.798
   99   2HG2  THR  17          3HG2      THR  17  -4.539   3.109  -0.108
  100   3HG2  THR  17          1HG2      THR  17  -4.625   4.864   0.106
  101    H    VAL  18           H        VAL  18  -8.389   0.860  -1.588
  102    HA   VAL  18           HA       VAL  18  -6.320  -0.869  -0.556
  103    HB   VAL  18           HB       VAL  18  -8.550  -0.950   0.298
  104   1HG1  VAL  18          2HG1      VAL  18  -9.881  -0.544  -1.795
  105   2HG1  VAL  18          3HG1      VAL  18  -9.514  -2.201  -2.311
  106   3HG1  VAL  18          1HG1      VAL  18 -10.448  -1.917  -0.841
  107   1HG2  VAL  18          3HG2      VAL  18  -7.087  -2.943   0.464
  108   2HG2  VAL  18          1HG2      VAL  18  -8.803  -3.377   0.414
  109   3HG2  VAL  18          2HG2      VAL  18  -7.798  -3.589  -1.030
  110    H    CYS  19           H        CYS  19  -4.848  -1.902  -1.690
  111    HA   CYS  19           HA       CYS  19  -5.154  -2.625  -4.513
  112   1HB   CYS  19          2HB       CYS  19  -3.042  -1.746  -3.487
  113   2HB   CYS  19          1HB       CYS  19  -2.911  -3.246  -2.563
  114    H    ALA  20           H        ALA  20  -4.774  -4.764  -5.344
  115    HA   ALA  20           HA       ALA  20  -5.848  -7.068  -3.876
  116   1HB   ALA  20          2HB       ALA  20  -6.297  -6.815  -6.270
  117   2HB   ALA  20          3HB       ALA  20  -4.559  -6.805  -6.620
  118   3HB   ALA  20          1HB       ALA  20  -5.331  -8.273  -5.989
  119    H    SER  21           H        SER  21  -4.651  -9.012  -3.488
  120    HA   SER  21           HA       SER  21  -2.241  -8.778  -2.060
  121   1HB   SER  21          1HB       SER  21  -3.880 -10.561  -1.683
  122   2HB   SER  21          2HB       SER  21  -3.548 -11.235  -3.287
  123    HG   SER  21           HG       SER  21  -1.665 -11.080  -1.143
  124    H    GLY  22           H        GLY  22  -0.100  -8.655  -2.601
  125   1HA   GLY  22          2HA       GLY  22   0.982 -10.202  -4.950
  126   2HA   GLY  22          1HA       GLY  22   1.720  -8.759  -4.285
  127    H    THR  23           H        THR  23   2.592  -8.885  -2.098
  128    HA   THR  23           HA       THR  23   2.462 -11.399  -0.573
  129    HB   THR  23           HB       THR  23   4.441 -11.851  -1.941
  130    HG1  THR  23           HG1      THR  23   5.534 -11.508   0.565
  131   1HG2  THR  23          1HG2      THR  23   5.775  -9.479  -0.540
  132   2HG2  THR  23          2HG2      THR  23   6.615 -10.773  -1.401
  133   3HG2  THR  23          3HG2      THR  23   5.516  -9.720  -2.281
  134    H    THR  24           H        THR  24   3.783  -8.121  -0.663
  135    HA   THR  24           HA       THR  24   3.093  -7.750   2.224
  136    HB   THR  24           HB       THR  24   5.192  -6.462   2.496
  137    HG1  THR  24           HG1      THR  24   5.480  -7.138  -0.158
  138   1HG2  THR  24          2HG2      THR  24   4.958  -8.788   3.313
  139   2HG2  THR  24          3HG2      THR  24   5.721  -9.369   1.817
  140   3HG2  THR  24          1HG2      THR  24   6.620  -8.314   2.922
  141    H    CYS  25           H        CYS  25   1.730  -6.188   2.496
  142    HA   CYS  25           HA       CYS  25   1.492  -3.745   0.911
  143   1HB   CYS  25          1HB       CYS  25  -0.327  -4.768   2.305
  144   2HB   CYS  25          2HB       CYS  25   0.609  -4.391   3.752
  145    H    GLN  26           H        GLN  26   3.637  -2.892   0.754
  146    HA   GLN  26           HA       GLN  26   5.191  -2.585   3.288
  147   1HB   GLN  26          1HB       GLN  26   6.007  -4.361   2.000
  148   2HB   GLN  26          2HB       GLN  26   5.962  -3.449   0.514
  149   1HG   GLN  26          2HG       GLN  26   8.260  -3.686   1.213
  150   2HG   GLN  26          1HG       GLN  26   7.818  -1.991   1.325
  151   1HE2  GLN  26          1HE2      GLN  26   7.959  -3.614   5.044
  152   2HE2  GLN  26          2HE2      GLN  26   6.771  -4.255   3.901
  153    H    VAL  27           H        VAL  27   6.559  -1.007   3.716
  154    HA   VAL  27           HA       VAL  27   5.684   1.624   3.032
  155    HB   VAL  27           HB       VAL  27   6.171   0.924   5.277
  156   1HG1  VAL  27          1HG2      VAL  27   9.095   0.673   4.451
  157   2HG1  VAL  27          2HG2      VAL  27   8.532   0.805   6.116
  158   3HG1  VAL  27          3HG2      VAL  27   8.027  -0.570   5.135
  159   1HG2  VAL  27          2HG1      VAL  27   6.243   3.246   4.754
  160   2HG2  VAL  27          3HG1      VAL  27   7.416   2.900   6.027
  161   3HG2  VAL  27          1HG1      VAL  27   7.990   3.170   4.370
  162    H    LEU  28           H        LEU  28   6.388   3.043   1.555
  163    HA   LEU  28           HA       LEU  28   9.211   2.988   0.495
  164   1HB   LEU  28          1HB       LEU  28   6.671   4.452  -0.273
  165   2HB   LEU  28          2HB       LEU  28   8.243   5.099  -0.728
  166    HG   LEU  28           HG       LEU  28   8.828   3.202  -2.042
  167   1HD1  LEU  28          1HD2      LEU  28   6.378   1.847  -0.880
  168   2HD1  LEU  28          2HD2      LEU  28   7.175   1.283  -2.364
  169   3HD1  LEU  28          3HD2      LEU  28   8.058   1.298  -0.838
  170   1HD2  LEU  28          2HD1      LEU  28   7.366   4.869  -3.114
  171   2HD2  LEU  28          3HD1      LEU  28   7.041   3.251  -3.751
  172   3HD2  LEU  28          1HD1      LEU  28   5.926   3.985  -2.577
  173    H    ASN  29           H        ASN  29   6.997   5.014   2.344
  174    HA   ASN  29           HA       ASN  29   9.097   5.789   4.218
  175   1HB   ASN  29          1HB       ASN  29   8.615   8.215   4.116
  176   2HB   ASN  29          2HB       ASN  29   9.135   7.658   2.540
  177   1HD2  ASN  29          1HD2      ASN  29   6.025   8.595   1.078
  178   2HD2  ASN  29          2HD2      ASN  29   7.700   8.095   0.796
  179    HA   PRO  30           HA       PRO  30   6.128   4.694   7.153
  180   1HB   PRO  30          2HB       PRO  30   5.726   6.981   8.838
  181   2HB   PRO  30          1HB       PRO  30   6.879   5.644   9.027
  182   1HG   PRO  30          2HG       PRO  30   7.312   8.323   7.709
  183   2HG   PRO  30          1HG       PRO  30   8.429   7.428   8.772
  184   1HD   PRO  30          2HD       PRO  30   8.837   7.403   6.137
  185   2HD   PRO  30          1HD       PRO  30   8.941   5.856   7.007
  186    H    TYR  31           H        TYR  31   5.098   7.915   5.915
  187    HA   TYR  31           HA       TYR  31   2.250   7.249   6.367
  188   1HB   TYR  31          1HB       TYR  31   3.560   9.730   5.218
  189   2HB   TYR  31          2HB       TYR  31   1.853   9.535   5.586
  190    HD1  TYR  31           HD2      TYR  31   1.053   9.286   7.946
  191    HD2  TYR  31           HD1      TYR  31   5.219   9.978   7.052
  192    HE1  TYR  31           HE2      TYR  31   1.491   9.782  10.350
  193    HE2  TYR  31           HE1      TYR  31   5.649  10.448   9.458
  194    HH   TYR  31           HH       TYR  31   4.719  10.774  11.486
  195    H    TYR  32           H        TYR  32   4.180   6.116   4.079
  196    HA   TYR  32           HA       TYR  32   1.989   5.877   2.100
  197   1HB   TYR  32          1HB       TYR  32   3.407   7.794   1.483
  198   2HB   TYR  32          2HB       TYR  32   4.790   6.707   1.343
  199    HD1  TYR  32           HD1      TYR  32   1.940   4.902   0.070
  200    HD2  TYR  32           HD2      TYR  32   4.453   8.282  -0.904
  201    HE1  TYR  32           HE1      TYR  32   1.502   4.531  -2.315
  202    HE2  TYR  32           HE2      TYR  32   3.888   7.951  -3.319
  203    HH   TYR  32           HH       TYR  32   2.468   4.916  -4.470
  204    H    SER  33           H        SER  33   1.705   3.869   2.885
  205    HA   SER  33           HA       SER  33   3.630   1.703   2.308
  206   1HB   SER  33          1HB       SER  33   2.225   1.599   4.339
  207   2HB   SER  33          2HB       SER  33   0.783   1.464   3.319
  208    HG   SER  33           HG       SER  33   1.606  -0.487   2.485
  209    H    GLN  34           H        GLN  34   3.837   0.977   0.366
  210    HA   GLN  34           HA       GLN  34   1.866   1.368  -1.810
  211   1HB   GLN  34          1HB       GLN  34   4.313   2.189  -1.659
  212   2HB   GLN  34          2HB       GLN  34   4.784   0.518  -1.977
  213   1HG   GLN  34          1HG       GLN  34   3.033   2.311  -3.738
  214   2HG   GLN  34          2HG       GLN  34   4.783   2.226  -3.873
  215   1HE2  GLN  34          2HE2      GLN  34   3.117  -0.180  -6.296
  216   2HE2  GLN  34          1HE2      GLN  34   2.395   1.337  -5.730
  217    H    CYS  35           H        CYS  35   2.088  -0.618  -3.526
  218    HA   CYS  35           HA       CYS  35   1.185  -3.015  -1.993
  219   1HB   CYS  35          1HB       CYS  35  -0.369  -1.808  -3.476
  220   2HB   CYS  35          2HB       CYS  35   0.651  -2.189  -4.867
  221    H    LEU  36           H        LEU  36   2.998  -4.348  -1.630
  222    HA   LEU  36           HA       LEU  36   4.302  -5.508  -4.063
  223   1HB   LEU  36          1HB       LEU  36   5.600  -4.891  -1.354
  224   2HB   LEU  36          2HB       LEU  36   6.310  -5.795  -2.670
  225    HG   LEU  36           HG       LEU  36   5.714  -3.511  -4.029
  226   1HD1  LEU  36          2HD1      LEU  36   4.875  -2.347  -1.905
  227   2HD1  LEU  36          3HD1      LEU  36   6.540  -2.455  -1.291
  228   3HD1  LEU  36          1HD1      LEU  36   6.205  -1.531  -2.744
  229   1HD2  LEU  36          1HD2      LEU  36   8.191  -4.042  -2.334
  230   2HD2  LEU  36          2HD2      LEU  36   7.904  -4.584  -4.002
  231   3HD2  LEU  36          3HD2      LEU  36   8.109  -2.859  -3.656
   
  No H/Q in entry =         231
  Start of MODEL    3
    1   1H    THR   1          1H        THR   1  -1.270 -13.631  -9.088
    2   2H    THR   1          2H        THR   1  -2.273 -13.740  -7.790
    3   3H    THR   1          3H        THR   1  -2.898 -13.959  -9.294
    4    HA   THR   1           HA       THR   1  -2.776 -11.660  -9.734
    5    HB   THR   1           HB       THR   1  -3.713 -10.642  -7.479
    6    HG1  THR   1           HG1      THR   1  -3.470 -11.985  -5.861
    7   1HG2  THR   1          3HG2      THR   1  -5.101 -13.074  -8.710
    8   2HG2  THR   1          1HG2      THR   1  -5.833 -11.863  -7.654
    9   3HG2  THR   1          2HG2      THR   1  -5.251 -11.387  -9.252
   10    H    GLN   2           H        GLN   2  -2.156  -9.365  -8.874
   11    HA   GLN   2           HA       GLN   2   0.529  -9.192  -7.693
   12   1HB   GLN   2          1HB       GLN   2  -0.090  -8.673 -10.651
   13   2HB   GLN   2          2HB       GLN   2   1.360  -8.087  -9.859
   14   1HG   GLN   2          1HG       GLN   2   0.742 -11.057 -10.170
   15   2HG   GLN   2          2HG       GLN   2   1.733 -10.089 -11.239
   16   1HE2  GLN   2          2HE2      GLN   2   3.323 -11.063  -7.626
   17   2HE2  GLN   2          1HE2      GLN   2   1.580 -11.178  -7.768
   18    H    SER   3           H        SER   3   1.306  -6.818  -8.013
   19    HA   SER   3           HA       SER   3  -0.233  -4.893  -6.809
   20   1HB   SER   3          1HB       SER   3   2.072  -4.474  -7.101
   21   2HB   SER   3          2HB       SER   3   1.966  -4.594  -8.867
   22    HG   SER   3           HG       SER   3   0.724  -2.689  -8.881
   23    H    HIS   4           H        HIS   4  -2.405  -4.821  -7.453
   24    HA   HIS   4           HA       HIS   4  -3.227  -3.692 -10.033
   25   1HB   HIS   4          1HB       HIS   4  -4.658  -5.192  -8.716
   26   2HB   HIS   4          2HB       HIS   4  -4.742  -4.011  -7.410
   27    HD2  HIS   4           HD2      HIS   4  -6.773  -5.031 -10.384
   28    HE1  HIS   4           HE1      HIS   4  -7.665  -0.927  -9.788
   29    HE2  HIS   4           HE2      HIS   4  -8.393  -3.038 -11.009
   30    H    ALA   5           H        ALA   5  -3.973  -2.167  -6.881
   31    HA   ALA   5           HA       ALA   5  -3.422   0.523  -7.859
   32   1HB   ALA   5          2HB       ALA   5  -5.261   0.018  -6.271
   33   2HB   ALA   5          3HB       ALA   5  -4.059  -0.435  -5.041
   34   3HB   ALA   5          1HB       ALA   5  -4.123   1.222  -5.638
   35    H    GLY   6           H        GLY   6  -1.355   1.311  -8.012
   36   1HA   GLY   6          1HA       GLY   6   1.039   0.357  -7.090
   37   2HA   GLY   6          2HA       GLY   6   0.726   2.083  -7.274
   38    H    GLN   7           H        GLN   7  -1.133   2.391  -5.113
   39    HA   GLN   7           HA       GLN   7   0.648   2.317  -2.751
   40   1HB   GLN   7          1HB       GLN   7  -0.476   4.398  -3.256
   41   2HB   GLN   7          2HB       GLN   7  -2.050   3.591  -3.200
   42   1HG   GLN   7          2HG       GLN   7  -1.744   3.089  -0.798
   43   2HG   GLN   7          1HG       GLN   7  -0.100   3.755  -0.849
   44   1HE2  GLN   7          2HE2      GLN   7  -1.740   6.592   0.515
   45   2HE2  GLN   7          1HE2      GLN   7  -0.698   5.218   0.909
   46    H    CYS   8           H        CYS   8   0.293   1.009  -0.957
   47    HA   CYS   8           HA       CYS   8  -1.789  -1.128  -1.090
   48   1HB   CYS   8          2HB       CYS   8   0.426  -1.884  -0.519
   49   2HB   CYS   8          1HB       CYS   8   0.577  -0.671   0.752
   50    H    GLY   9           H        GLY   9  -0.706   1.418   1.166
   51   1HA   GLY   9          1HA       GLY   9  -3.088   2.541   2.037
   52   2HA   GLY   9          2HA       GLY   9  -3.023   1.033   2.947
   53    H    GLY  10           H        GLY  10  -1.772   4.259   2.768
   54   1HA   GLY  10          1HA       GLY  10   0.517   3.824   4.592
   55   2HA   GLY  10          2HA       GLY  10   0.012   5.350   3.877
   56    H    ILE  11           H        ILE  11   0.753   4.661   6.684
   57    HA   ILE  11           HA       ILE  11  -1.285   4.406   8.539
   58    HB   ILE  11           HB       ILE  11   1.249   6.063   8.715
   59   1HG1  ILE  11          2HG1      ILE  11   0.610   3.188   9.553
   60   2HG1  ILE  11          1HG1      ILE  11   1.580   3.650   8.161
   61   1HG2  ILE  11          2HG2      ILE  11  -0.365   6.697  10.539
   62   2HG2  ILE  11          3HG2      ILE  11  -0.423   4.992  11.027
   63   3HG2  ILE  11          1HG2      ILE  11   1.086   5.918  11.137
   64   1HD1  ILE  11          2HD1      ILE  11   3.181   4.818   9.774
   65   2HD1  ILE  11          3HD1      ILE  11   2.302   3.987  11.081
   66   3HD1  ILE  11          1HD1      ILE  11   3.129   3.047   9.832
   67    H    GLY  12           H        GLY  12  -3.226   5.436   8.496
   68   1HA   GLY  12          2HA       GLY  12  -4.480   7.468   9.146
   69   2HA   GLY  12          1HA       GLY  12  -3.366   8.447   8.214
   70    H    TYR  13           H        TYR  13  -3.215   6.928   5.796
   71    HA   TYR  13           HA       TYR  13  -5.871   7.436   4.592
   72   1HB   TYR  13          1HB       TYR  13  -3.728   8.137   3.517
   73   2HB   TYR  13          2HB       TYR  13  -3.362   6.442   3.222
   74    HD1  TYR  13           HD1      TYR  13  -6.818   6.382   2.631
   75    HD2  TYR  13           HD2      TYR  13  -3.254   8.261   1.022
   76    HE1  TYR  13           HE1      TYR  13  -7.909   6.601   0.441
   77    HE2  TYR  13           HE2      TYR  13  -4.428   8.537  -1.157
   78    HH   TYR  13           HH       TYR  13  -7.529   7.060  -1.841
   79    H    SER  14           H        SER  14  -6.349   5.664   6.397
   80    HA   SER  14           HA       SER  14  -6.252   2.861   5.533
   81   1HB   SER  14          1HB       SER  14  -7.814   4.255   7.750
   82   2HB   SER  14          2HB       SER  14  -7.615   2.498   7.563
   83    HG   SER  14           HG       SER  14  -6.091   3.463   9.054
   84    H    GLY  15           H        GLY  15  -7.281   3.782   3.331
   85   1HA   GLY  15          2HA       GLY  15 -10.194   3.203   3.287
   86   2HA   GLY  15          1HA       GLY  15  -9.745   4.907   3.152
   87    HA   PRO  16           HA       PRO  16 -10.485   3.368  -1.140
   88   1HB   PRO  16          2HB       PRO  16 -10.505   6.390  -1.438
   89   2HB   PRO  16          1HB       PRO  16 -11.508   5.179  -2.283
   90   1HG   PRO  16          2HG       PRO  16 -12.528   6.474  -0.154
   91   2HG   PRO  16          1HG       PRO  16 -12.700   4.693  -0.225
   92   1HD   PRO  16          1HD       PRO  16 -10.632   6.305   1.307
   93   2HD   PRO  16          2HD       PRO  16 -11.654   4.950   1.867
   94    H    THR  17           H        THR  17  -8.156   2.621  -0.883
   95    HA   THR  17           HA       THR  17  -6.769   3.387  -3.322
   96    HB   THR  17           HB       THR  17  -5.916   5.113  -1.756
   97    HG1  THR  17           HG1      THR  17  -3.825   4.836  -2.370
   98   1HG2  THR  17          2HG2      THR  17  -5.887   3.646   0.335
   99   2HG2  THR  17          3HG2      THR  17  -4.419   2.888  -0.303
  100   3HG2  THR  17          1HG2      THR  17  -4.432   4.616   0.058
  101    H    VAL  18           H        VAL  18  -8.029   1.105  -2.716
  102    HA   VAL  18           HA       VAL  18  -6.337  -0.768  -1.281
  103    HB   VAL  18           HB       VAL  18  -8.692  -0.599  -0.842
  104   1HG1  VAL  18          2HG1      VAL  18  -9.546  -0.199  -3.177
  105   2HG1  VAL  18          3HG1      VAL  18  -9.242  -1.907  -3.542
  106   3HG1  VAL  18          1HG1      VAL  18 -10.419  -1.464  -2.305
  107   1HG2  VAL  18          3HG2      VAL  18  -7.453  -2.679  -0.327
  108   2HG2  VAL  18          1HG2      VAL  18  -9.159  -2.993  -0.683
  109   3HG2  VAL  18          2HG2      VAL  18  -7.922  -3.349  -1.902
  110    H    CYS  19           H        CYS  19  -4.786  -1.949  -2.130
  111    HA   CYS  19           HA       CYS  19  -4.694  -2.731  -4.954
  112   1HB   CYS  19          2HB       CYS  19  -2.728  -1.932  -3.571
  113   2HB   CYS  19          1HB       CYS  19  -2.798  -3.467  -2.703
  114    H    ALA  20           H        ALA  20  -4.229  -4.976  -5.621
  115    HA   ALA  20           HA       ALA  20  -6.134  -6.898  -4.462
  116   1HB   ALA  20          2HB       ALA  20  -6.049  -6.582  -6.894
  117   2HB   ALA  20          3HB       ALA  20  -4.341  -7.094  -6.913
  118   3HB   ALA  20          1HB       ALA  20  -5.612  -8.241  -6.446
  119    H    SER  21           H        SER  21  -5.625  -8.870  -3.558
  120    HA   SER  21           HA       SER  21  -3.154  -9.291  -2.185
  121   1HB   SER  21          1HB       SER  21  -5.259 -10.241  -1.428
  122   2HB   SER  21          2HB       SER  21  -5.343 -11.297  -2.856
  123    HG   SER  21           HG       SER  21  -4.366 -12.263  -0.880
  124    H    GLY  22           H        GLY  22  -1.939 -11.452  -2.382
  125   1HA   GLY  22          1HA       GLY  22  -0.283 -12.665  -3.514
  126   2HA   GLY  22          2HA       GLY  22  -0.972 -12.233  -5.071
  127    H    THR  23           H        THR  23  -0.067  -9.945  -2.563
  128    HA   THR  23           HA       THR  23   2.543  -9.149  -3.593
  129    HB   THR  23           HB       THR  23   0.333  -7.041  -3.449
  130    HG1  THR  23           HG1      THR  23   0.346  -7.016  -5.653
  131   1HG2  THR  23          3HG2      THR  23   3.176  -7.025  -4.589
  132   2HG2  THR  23          1HG2      THR  23   1.980  -5.761  -4.868
  133   3HG2  THR  23          2HG2      THR  23   2.562  -6.063  -3.233
  134    H    THR  24           H        THR  24   3.612  -7.602  -1.956
  135    HA   THR  24           HA       THR  24   2.389  -7.868   0.730
  136    HB   THR  24           HB       THR  24   5.124  -6.742   0.721
  137    HG1  THR  24           HG1      THR  24   5.480  -8.003  -1.005
  138   1HG2  THR  24          3HG2      THR  24   3.896  -9.197   1.956
  139   2HG2  THR  24          1HG2      THR  24   5.481  -8.488   2.338
  140   3HG2  THR  24          2HG2      THR  24   4.003  -7.594   2.724
  141    H    CYS  25           H        CYS  25   3.884  -5.641   1.858
  142    HA   CYS  25           HA       CYS  25   2.432  -3.257   0.909
  143   1HB   CYS  25          1HB       CYS  25   0.938  -4.712   2.436
  144   2HB   CYS  25          2HB       CYS  25   2.021  -4.265   3.749
  145    H    GLN  26           H        GLN  26   4.359  -2.308   0.528
  146    HA   GLN  26           HA       GLN  26   6.601  -2.453   2.441
  147   1HB   GLN  26          1HB       GLN  26   7.126  -3.448   0.458
  148   2HB   GLN  26          2HB       GLN  26   6.222  -2.302  -0.522
  149   1HG   GLN  26          2HG       GLN  26   8.707  -2.227  -0.806
  150   2HG   GLN  26          1HG       GLN  26   7.882  -0.693  -0.545
  151   1HE2  GLN  26          1HE2      GLN  26  10.233  -1.995   2.541
  152   2HE2  GLN  26          2HE2      GLN  26   9.253  -3.223   1.713
  153    H    VAL  27           H        VAL  27   7.231  -0.848   3.575
  154    HA   VAL  27           HA       VAL  27   6.096   1.833   3.408
  155    HB   VAL  27           HB       VAL  27   6.007   0.670   5.446
  156   1HG1  VAL  27          1HG2      VAL  27   9.035   0.352   5.387
  157   2HG1  VAL  27          2HG2      VAL  27   8.040   0.160   6.831
  158   3HG1  VAL  27          3HG2      VAL  27   7.792  -0.907   5.456
  159   1HG2  VAL  27          2HG1      VAL  27   6.329   3.107   5.511
  160   2HG2  VAL  27          3HG1      VAL  27   6.863   2.292   6.987
  161   3HG2  VAL  27          1HG1      VAL  27   8.066   2.869   5.826
  162    H    LEU  28           H        LEU  28   7.153   2.693   1.479
  163    HA   LEU  28           HA       LEU  28   9.939   3.406   1.336
  164   1HB   LEU  28          1HB       LEU  28   7.440   4.876   0.361
  165   2HB   LEU  28          2HB       LEU  28   9.083   5.451   0.096
  166    HG   LEU  28           HG       LEU  28   9.648   3.377  -1.156
  167   1HD1  LEU  28          3HD1      LEU  28   6.687   2.800  -0.748
  168   2HD1  LEU  28          1HD1      LEU  28   7.647   2.062  -2.049
  169   3HD1  LEU  28          2HD1      LEU  28   8.064   1.744  -0.368
  170   1HD2  LEU  28          3HD2      LEU  28   7.284   5.015  -2.177
  171   2HD2  LEU  28          1HD2      LEU  28   8.998   5.461  -2.298
  172   3HD2  LEU  28          2HD2      LEU  28   8.390   4.056  -3.184
  173    H    ASN  29           H        ASN  29   7.214   5.125   2.795
  174    HA   ASN  29           HA       ASN  29   8.889   6.020   5.034
  175   1HB   ASN  29          1HB       ASN  29   8.028   8.357   4.972
  176   2HB   ASN  29          2HB       ASN  29   8.972   7.966   3.547
  177   1HD2  ASN  29          1HD2      ASN  29   5.209   9.191   3.022
  178   2HD2  ASN  29          2HD2      ASN  29   5.994   9.314   4.598
  179    HA   PRO  30           HA       PRO  30   5.709   4.401   7.490
  180   1HB   PRO  30          2HB       PRO  30   5.106   6.470   9.357
  181   2HB   PRO  30          1HB       PRO  30   6.325   5.186   9.497
  182   1HG   PRO  30          1HG       PRO  30   6.686   8.020   8.558
  183   2HG   PRO  30          2HG       PRO  30   7.791   7.029   9.543
  184   1HD   PRO  30          2HD       PRO  30   8.273   7.436   6.933
  185   2HD   PRO  30          1HD       PRO  30   8.559   5.825   7.630
  186    H    TYR  31           H        TYR  31   4.764   7.775   6.721
  187    HA   TYR  31           HA       TYR  31   1.929   7.093   6.648
  188   1HB   TYR  31          2HB       TYR  31   3.289   9.650   5.763
  189   2HB   TYR  31          1HB       TYR  31   1.583   9.411   6.109
  190    HD1  TYR  31           HD1      TYR  31   0.811   8.922   8.458
  191    HD2  TYR  31           HD2      TYR  31   4.891  10.004   7.595
  192    HE1  TYR  31           HE1      TYR  31   1.250   9.150  10.887
  193    HE2  TYR  31           HE2      TYR  31   5.312  10.301  10.041
  194    HH   TYR  31           HH       TYR  31   2.734   9.792  12.444
  195    H    TYR  32           H        TYR  32   4.041   6.050   4.448
  196    HA   TYR  32           HA       TYR  32   1.956   5.898   2.386
  197   1HB   TYR  32          1HB       TYR  32   3.300   7.992   1.966
  198   2HB   TYR  32          2HB       TYR  32   4.687   6.937   1.671
  199    HD1  TYR  32           HD2      TYR  32   1.830   5.246   0.259
  200    HD2  TYR  32           HD1      TYR  32   4.431   8.651  -0.382
  201    HE1  TYR  32           HE2      TYR  32   1.879   4.770  -2.170
  202    HE2  TYR  32           HE1      TYR  32   4.365   8.192  -2.836
  203    HH   TYR  32           HH       TYR  32   4.392   6.322  -4.176
  204    H    SER  33           H        SER  33   1.871   3.794   3.058
  205    HA   SER  33           HA       SER  33   4.032   1.904   2.381
  206   1HB   SER  33          1HB       SER  33   2.715   1.628   4.441
  207   2HB   SER  33          2HB       SER  33   1.263   1.318   3.477
  208    HG   SER  33           HG       SER  33   2.324  -0.504   2.590
  209    H    GLN  34           H        GLN  34   4.266   1.087   0.476
  210    HA   GLN  34           HA       GLN  34   2.320   1.408  -1.723
  211   1HB   GLN  34          1HB       GLN  34   4.559   2.547  -1.630
  212   2HB   GLN  34          2HB       GLN  34   5.321   0.950  -1.715
  213   1HG   GLN  34          1HG       GLN  34   4.274   0.613  -3.973
  214   2HG   GLN  34          2HG       GLN  34   3.509   2.202  -3.828
  215   1HE2  GLN  34          2HE2      GLN  34   6.503   3.954  -4.587
  216   2HE2  GLN  34          1HE2      GLN  34   4.889   4.156  -3.866
  217    H    CYS  35           H        CYS  35   2.050  -0.269  -3.365
  218    HA   CYS  35           HA       CYS  35   1.788  -2.892  -2.098
  219   1HB   CYS  35          1HB       CYS  35   0.017  -1.717  -3.417
  220   2HB   CYS  35          2HB       CYS  35   0.928  -2.081  -4.888
  221    H    LEU  36           H        LEU  36   4.234  -3.090  -1.958
  222    HA   LEU  36           HA       LEU  36   5.046  -5.036  -4.081
  223   1HB   LEU  36          1HB       LEU  36   6.887  -3.191  -2.492
  224   2HB   LEU  36          2HB       LEU  36   7.385  -4.649  -3.335
  225    HG   LEU  36           HG       LEU  36   6.454  -3.618  -5.487
  226   1HD1  LEU  36          3HD2      LEU  36   5.191  -1.672  -4.486
  227   2HD1  LEU  36          1HD2      LEU  36   6.719  -1.045  -3.845
  228   3HD1  LEU  36          2HD2      LEU  36   6.450  -1.151  -5.598
  229   1HD2  LEU  36          3HD1      LEU  36   8.874  -3.870  -4.928
  230   2HD2  LEU  36          1HD1      LEU  36   8.558  -2.405  -5.870
  231   3HD2  LEU  36          2HD1      LEU  36   8.836  -2.292  -4.119
   
  No H/Q in entry =         231
  Start of MODEL    4
    1   1H    THR   1          3H        THR   1  -2.142 -12.148  -9.744
    2   2H    THR   1          1H        THR   1  -2.786 -11.954  -8.227
    3   3H    THR   1          2H        THR   1  -3.780 -12.343  -9.471
    4    HA   THR   1           HA       THR   1  -3.662 -10.128 -10.299
    5    HB   THR   1           HB       THR   1  -3.987  -8.733  -8.145
    6    HG1  THR   1           HG1      THR   1  -2.848  -9.849  -6.604
    7   1HG2  THR   1          3HG2      THR   1  -5.623 -11.307  -8.330
    8   2HG2  THR   1          1HG2      THR   1  -6.044  -9.836  -7.438
    9   3HG2  THR   1          2HG2      THR   1  -5.968  -9.788  -9.195
   10    H    GLN   2           H        GLN   2  -1.557 -10.057 -11.322
   11    HA   GLN   2           HA       GLN   2   0.748  -8.895  -9.895
   12   1HB   GLN   2          1HB       GLN   2   0.132 -10.068 -12.634
   13   2HB   GLN   2          2HB       GLN   2   1.578  -9.123 -12.345
   14   1HG   GLN   2          1HG       GLN   2   2.003 -11.545 -12.090
   15   2HG   GLN   2          2HG       GLN   2   2.401 -10.577 -10.670
   16   1HE2  GLN   2          2HE2      GLN   2   0.960 -13.270  -8.889
   17   2HE2  GLN   2          1HE2      GLN   2   2.444 -12.452  -9.328
   18    H    SER   3           H        SER   3  -0.369  -7.001  -9.260
   19    HA   SER   3           HA       SER   3  -0.749  -4.888 -11.362
   20   1HB   SER   3          1HB       SER   3  -2.712  -5.483  -9.097
   21   2HB   SER   3          2HB       SER   3  -2.879  -4.244 -10.348
   22    HG   SER   3           HG       SER   3  -2.826  -6.056 -11.893
   23    H    HIS   4           H        HIS   4   1.455  -5.353  -9.619
   24    HA   HIS   4           HA       HIS   4   1.254  -3.888  -7.207
   25   1HB   HIS   4          1HB       HIS   4   3.472  -5.324  -8.676
   26   2HB   HIS   4          2HB       HIS   4   3.768  -4.470  -7.174
   27    HD2  HIS   4           HD2      HIS   4   2.908  -5.633  -4.869
   28    HE1  HIS   4           HE1      HIS   4   0.875  -8.896  -6.612
   29    HE2  HIS   4           HE2      HIS   4   1.704  -7.868  -4.389
   30    H    ALA   5           H        ALA   5   0.446  -1.890  -8.132
   31    HA   ALA   5           HA       ALA   5   2.613   0.129  -8.319
   32   1HB   ALA   5          2HB       ALA   5   2.098  -0.481 -10.660
   33   2HB   ALA   5          3HB       ALA   5   0.382  -0.124 -10.387
   34   3HB   ALA   5          1HB       ALA   5   1.589   1.179 -10.312
   35    H    GLY   6           H        GLY   6   2.087   2.169  -7.554
   36   1HA   GLY   6          1HA       GLY   6   0.881   3.889  -6.565
   37   2HA   GLY   6          2HA       GLY   6  -0.625   3.083  -6.986
   38    H    GLN   7           H        GLN   7  -1.390   3.828  -4.842
   39    HA   GLN   7           HA       GLN   7  -0.034   3.069  -2.412
   40   1HB   GLN   7          1HB       GLN   7  -1.290   5.121  -2.678
   41   2HB   GLN   7          2HB       GLN   7  -2.812   4.221  -2.825
   42   1HG   GLN   7          2HG       GLN   7  -2.684   3.454  -0.549
   43   2HG   GLN   7          1HG       GLN   7  -1.011   4.009  -0.373
   44   1HE2  GLN   7          2HE2      GLN   7  -3.737   6.608   0.722
   45   2HE2  GLN   7          1HE2      GLN   7  -3.973   4.868   0.786
   46    H    CYS   8           H        CYS   8  -0.073   1.175  -1.382
   47    HA   CYS   8           HA       CYS   8  -1.995  -1.013  -1.741
   48   1HB   CYS   8          1HB       CYS   8   0.162  -1.650  -0.974
   49   2HB   CYS   8          2HB       CYS   8   0.230  -0.362   0.225
   50    H    GLY   9           H        GLY   9  -1.427   1.403   0.760
   51   1HA   GLY   9          2HA       GLY   9  -4.304   1.664   1.426
   52   2HA   GLY   9          1HA       GLY   9  -3.287   1.010   2.718
   53    H    GLY  10           H        GLY  10  -1.002   2.560   2.283
   54   1HA   GLY  10          2HA       GLY  10  -0.130   4.744   2.856
   55   2HA   GLY  10          1HA       GLY  10  -1.756   5.315   3.205
   56    H    ILE  11           H        ILE  11  -0.085   5.846   5.106
   57    HA   ILE  11           HA       ILE  11  -1.003   4.117   7.361
   58    HB   ILE  11           HB       ILE  11   1.751   5.299   6.985
   59   1HG1  ILE  11          2HG1      ILE  11   1.134   2.640   8.257
   60   2HG1  ILE  11          1HG1      ILE  11   1.021   2.792   6.506
   61   1HG2  ILE  11          3HG2      ILE  11   0.468   4.564   9.650
   62   2HG2  ILE  11          1HG2      ILE  11   2.194   4.874   9.414
   63   3HG2  ILE  11          2HG2      ILE  11   1.037   6.178   9.168
   64   1HD1  ILE  11          3HD1      ILE  11   3.522   3.531   8.082
   65   2HD1  ILE  11          1HD1      ILE  11   3.254   2.006   7.223
   66   3HD1  ILE  11          2HD1      ILE  11   3.327   3.525   6.318
   67    H    GLY  12           H        GLY  12  -1.870   5.244   9.084
   68   1HA   GLY  12          2HA       GLY  12  -2.979   7.042  10.126
   69   2HA   GLY  12          1HA       GLY  12  -2.302   8.193   8.978
   70    H    TYR  13           H        TYR  13  -3.069   7.428   6.551
   71    HA   TYR  13           HA       TYR  13  -5.984   6.926   6.402
   72   1HB   TYR  13          1HB       TYR  13  -4.624   8.168   4.632
   73   2HB   TYR  13          2HB       TYR  13  -3.939   6.618   4.174
   74    HD1  TYR  13           HD2      TYR  13  -5.871   4.671   3.717
   75    HD2  TYR  13           HD1      TYR  13  -6.417   8.953   3.358
   76    HE1  TYR  13           HE2      TYR  13  -7.930   4.310   2.391
   77    HE2  TYR  13           HE1      TYR  13  -8.367   8.553   1.862
   78    HH   TYR  13           HH       TYR  13  -9.449   5.276   1.013
   79    H    SER  14           H        SER  14  -6.807   4.892   6.694
   80    HA   SER  14           HA       SER  14  -5.240   2.479   5.874
   81   1HB   SER  14          1HB       SER  14  -6.367   2.769   8.695
   82   2HB   SER  14          2HB       SER  14  -5.462   1.400   8.042
   83    HG   SER  14           HG       SER  14  -3.814   3.229   7.592
   84    H    GLY  15           H        GLY  15  -7.931   3.864   5.150
   85   1HA   GLY  15          1HA       GLY  15  -9.883   1.691   5.548
   86   2HA   GLY  15          2HA       GLY  15 -10.125   3.189   4.659
   87    HA   PRO  16           HA       PRO  16  -9.339  -0.639   1.934
   88   1HB   PRO  16          2HB       PRO  16 -11.829  -1.254   0.988
   89   2HB   PRO  16          1HB       PRO  16 -11.252  -1.722   2.600
   90   1HG   PRO  16          1HG       PRO  16 -12.876   0.761   1.904
   91   2HG   PRO  16          2HG       PRO  16 -13.296  -0.493   3.104
   92   1HD   PRO  16          2HD       PRO  16 -12.032   1.742   3.919
   93   2HD   PRO  16          1HD       PRO  16 -11.488   0.154   4.530
   94    H    THR  17           H        THR  17  -8.238   1.336   1.017
   95    HA   THR  17           HA       THR  17  -9.226   1.793  -1.809
   96    HB   THR  17           HB       THR  17  -8.481   3.830  -0.745
   97    HG1  THR  17           HG1      THR  17  -6.474   2.985  -2.529
   98   1HG2  THR  17          3HG2      THR  17  -5.734   2.485  -0.506
   99   2HG2  THR  17          1HG2      THR  17  -6.057   4.194  -0.242
  100   3HG2  THR  17          2HG2      THR  17  -6.729   2.979   0.872
  101    H    VAL  18           H        VAL  18  -8.772  -0.805  -1.222
  102    HA   VAL  18           HA       VAL  18  -6.061  -1.615  -1.215
  103    HB   VAL  18           HB       VAL  18  -7.775  -2.764  -0.018
  104   1HG1  VAL  18          3HG2      VAL  18  -9.637  -2.715  -1.736
  105   2HG1  VAL  18          1HG2      VAL  18  -8.805  -4.025  -2.598
  106   3HG1  VAL  18          2HG2      VAL  18  -9.363  -4.283  -0.950
  107   1HG2  VAL  18          2HG1      VAL  18  -5.650  -3.919  -0.580
  108   2HG2  VAL  18          3HG1      VAL  18  -7.009  -5.052  -0.446
  109   3HG2  VAL  18          1HG1      VAL  18  -6.404  -4.588  -2.043
  110    H    CYS  19           H        CYS  19  -4.778  -1.332  -2.940
  111    HA   CYS  19           HA       CYS  19  -5.230  -1.684  -5.657
  112   1HB   CYS  19          1HB       CYS  19  -3.249  -0.669  -4.815
  113   2HB   CYS  19          2HB       CYS  19  -2.796  -2.108  -3.906
  114    H    ALA  20           H        ALA  20  -4.240  -4.365  -3.436
  115    HA   ALA  20           HA       ALA  20  -4.742  -6.356  -5.604
  116   1HB   ALA  20          2HB       ALA  20  -2.481  -5.467  -5.971
  117   2HB   ALA  20          3HB       ALA  20  -2.031  -5.859  -4.299
  118   3HB   ALA  20          1HB       ALA  20  -2.395  -7.156  -5.453
  119    H    SER  21           H        SER  21  -4.408  -8.564  -5.056
  120    HA   SER  21           HA       SER  21  -4.873  -9.311  -2.186
  121   1HB   SER  21          1HB       SER  21  -6.855  -9.766  -3.514
  122   2HB   SER  21          2HB       SER  21  -5.921 -10.729  -4.674
  123    HG   SER  21           HG       SER  21  -7.048 -11.851  -2.785
  124    H    GLY  22           H        GLY  22  -4.269 -11.741  -1.902
  125   1HA   GLY  22          2HA       GLY  22  -2.402 -13.223  -1.678
  126   2HA   GLY  22          1HA       GLY  22  -1.439 -12.232  -2.773
  127    H    THR  23           H        THR  23  -1.671  -9.753  -1.642
  128    HA   THR  23           HA       THR  23  -1.730  -8.350   0.109
  129    HB   THR  23           HB       THR  23  -1.464 -10.603   2.115
  130    HG1  THR  23           HG1      THR  23  -3.779 -10.452   2.088
  131   1HG2  THR  23          3HG2      THR  23  -2.770  -7.840   2.252
  132   2HG2  THR  23          1HG2      THR  23  -2.775  -9.061   3.539
  133   3HG2  THR  23          2HG2      THR  23  -1.257  -8.298   3.063
  134    H    THR  24           H        THR  24   0.350  -7.935  -1.066
  135    HA   THR  24           HA       THR  24   2.586  -7.645   0.896
  136    HB   THR  24           HB       THR  24   4.024  -7.198  -1.028
  137    HG1  THR  24           HG1      THR  24   3.261  -7.012  -2.917
  138   1HG2  THR  24          2HG2      THR  24   3.936  -9.495  -0.156
  139   2HG2  THR  24          3HG2      THR  24   2.606  -9.882  -1.276
  140   3HG2  THR  24          1HG2      THR  24   4.213  -9.460  -1.911
  141    H    CYS  25           H        CYS  25   3.802  -5.441   0.508
  142    HA   CYS  25           HA       CYS  25   2.240  -3.116   0.180
  143   1HB   CYS  25          1HB       CYS  25   0.795  -4.480   1.905
  144   2HB   CYS  25          2HB       CYS  25   2.041  -4.077   3.057
  145    H    GLN  26           H        GLN  26   4.077  -1.869  -0.114
  146    HA   GLN  26           HA       GLN  26   6.380  -2.120   1.745
  147   1HB   GLN  26          1HB       GLN  26   6.632  -2.821  -0.566
  148   2HB   GLN  26          2HB       GLN  26   6.182  -1.202  -1.123
  149   1HG   GLN  26          2HG       GLN  26   8.633  -1.679  -1.222
  150   2HG   GLN  26          1HG       GLN  26   8.225  -0.234  -0.313
  151   1HE2  GLN  26          2HE2      GLN  26   9.387  -3.328   2.080
  152   2HE2  GLN  26          1HE2      GLN  26   8.022  -3.612   0.978
  153    H    VAL  27           H        VAL  27   6.909  -0.597   3.102
  154    HA   VAL  27           HA       VAL  27   5.976   2.183   2.968
  155    HB   VAL  27           HB       VAL  27   5.870   1.109   5.054
  156   1HG1  VAL  27          1HG2      VAL  27   8.880   0.623   5.003
  157   2HG1  VAL  27          2HG2      VAL  27   7.803   0.375   6.378
  158   3HG1  VAL  27          3HG2      VAL  27   7.608  -0.608   4.930
  159   1HG2  VAL  27          3HG1      VAL  27   6.416   3.533   5.021
  160   2HG2  VAL  27          1HG1      VAL  27   6.997   2.717   6.481
  161   3HG2  VAL  27          2HG1      VAL  27   8.139   3.129   5.192
  162    H    LEU  28           H        LEU  28   6.969   3.389   1.384
  163    HA   LEU  28           HA       LEU  28   9.873   3.405   0.915
  164   1HB   LEU  28          1HB       LEU  28   7.629   5.249  -0.027
  165   2HB   LEU  28          2HB       LEU  28   9.331   5.486  -0.410
  166    HG   LEU  28           HG       LEU  28   9.409   3.226  -1.486
  167   1HD1  LEU  28          3HD1      LEU  28   6.400   3.331  -1.022
  168   2HD1  LEU  28          1HD1      LEU  28   7.178   2.271  -2.223
  169   3HD1  LEU  28          2HD1      LEU  28   7.521   2.047  -0.516
  170   1HD2  LEU  28          2HD2      LEU  28   9.131   5.300  -2.803
  171   2HD2  LEU  28          3HD2      LEU  28   8.244   3.956  -3.536
  172   3HD2  LEU  28          1HD2      LEU  28   7.368   5.193  -2.613
  173    H    ASN  29           H        ASN  29   7.828   6.126   1.940
  174    HA   ASN  29           HA       ASN  29   9.579   6.618   4.322
  175   1HB   ASN  29          1HB       ASN  29   8.780   8.971   4.278
  176   2HB   ASN  29          2HB       ASN  29   9.683   8.548   2.832
  177   1HD2  ASN  29          1HD2      ASN  29   5.725   9.459   2.472
  178   2HD2  ASN  29          2HD2      ASN  29   6.330   9.126   4.092
  179    HA   PRO  30           HA       PRO  30   5.904   5.525   6.735
  180   1HB   PRO  30          2HB       PRO  30   5.956   7.339   8.823
  181   2HB   PRO  30          1HB       PRO  30   7.039   5.929   8.710
  182   1HG   PRO  30          1HG       PRO  30   7.625   8.765   7.796
  183   2HG   PRO  30          2HG       PRO  30   8.617   7.745   8.874
  184   1HD   PRO  30          2HD       PRO  30   9.216   7.887   6.265
  185   2HD   PRO  30          1HD       PRO  30   9.221   6.286   7.049
  186    H    TYR  31           H        TYR  31   3.781   6.326   7.158
  187    HA   TYR  31           HA       TYR  31   1.852   7.405   6.634
  188   1HB   TYR  31          2HB       TYR  31   3.421   9.793   5.645
  189   2HB   TYR  31          1HB       TYR  31   1.688   9.650   5.784
  190    HD1  TYR  31           HD1      TYR  31   0.564   9.295   7.981
  191    HD2  TYR  31           HD2      TYR  31   4.787  10.175   7.711
  192    HE1  TYR  31           HE1      TYR  31   0.690   9.456  10.456
  193    HE2  TYR  31           HE2      TYR  31   4.895  10.341  10.202
  194    HH   TYR  31           HH       TYR  31   2.014   9.793  12.225
  195    H    TYR  32           H        TYR  32   4.279   7.317   4.010
  196    HA   TYR  32           HA       TYR  32   2.204   6.572   2.043
  197   1HB   TYR  32          1HB       TYR  32   4.338   7.988   1.619
  198   2HB   TYR  32          2HB       TYR  32   5.190   6.461   1.599
  199    HD1  TYR  32           HD1      TYR  32   4.215   4.621  -0.101
  200    HD2  TYR  32           HD2      TYR  32   3.373   8.859  -0.328
  201    HE1  TYR  32           HE1      TYR  32   3.379   4.363  -2.440
  202    HE2  TYR  32           HE2      TYR  32   2.772   8.603  -2.721
  203    HH   TYR  32           HH       TYR  32   2.562   7.169  -4.437
  204    H    SER  33           H        SER  33   1.706   4.481   1.445
  205    HA   SER  33           HA       SER  33   3.595   2.269   1.964
  206   1HB   SER  33          1HB       SER  33   2.165   2.334   3.987
  207   2HB   SER  33          2HB       SER  33   0.753   1.975   2.986
  208    HG   SER  33           HG       SER  33   1.829   0.015   2.362
  209    H    GLN  34           H        GLN  34   3.931   1.461   0.058
  210    HA   GLN  34           HA       GLN  34   2.064   1.844  -2.165
  211   1HB   GLN  34          1HB       GLN  34   4.548   2.577  -1.968
  212   2HB   GLN  34          2HB       GLN  34   4.956   0.905  -2.299
  213   1HG   GLN  34          1HG       GLN  34   3.922   1.030  -4.512
  214   2HG   GLN  34          2HG       GLN  34   3.161   2.578  -4.125
  215   1HE2  GLN  34          2HE2      GLN  34   6.011   4.472  -4.957
  216   2HE2  GLN  34          1HE2      GLN  34   4.385   4.570  -4.282
  217    H    CYS  35           H        CYS  35   1.725   0.267  -3.819
  218    HA   CYS  35           HA       CYS  35   1.186  -2.446  -2.871
  219   1HB   CYS  35          1HB       CYS  35  -0.301  -0.985  -4.270
  220   2HB   CYS  35          2HB       CYS  35   0.824  -1.186  -5.612
  221    H    LEU  36           H        LEU  36   3.718  -2.593  -2.485
  222    HA   LEU  36           HA       LEU  36   4.779  -4.311  -4.683
  223   1HB   LEU  36          1HB       LEU  36   6.351  -2.435  -2.922
  224   2HB   LEU  36          2HB       LEU  36   7.037  -3.939  -3.517
  225    HG   LEU  36           HG       LEU  36   6.463  -3.195  -5.875
  226   1HD1  LEU  36          3HD1      LEU  36   6.173  -0.497  -4.464
  227   2HD1  LEU  36          1HD1      LEU  36   6.319  -0.725  -6.220
  228   3HD1  LEU  36          2HD1      LEU  36   4.896  -1.331  -5.374
  229   1HD2  LEU  36          2HD2      LEU  36   8.751  -3.183  -4.924
  230   2HD2  LEU  36          3HD2      LEU  36   8.504  -1.812  -6.017
  231   3HD2  LEU  36          1HD2      LEU  36   8.475  -1.563  -4.259
   
  No H/Q in entry =         231
  Start of MODEL    5
    1   1H    THR   1          3H        THR   1  -1.784 -14.207  -8.167
    2   2H    THR   1          1H        THR   1  -2.808 -13.951  -6.893
    3   3H    THR   1          2H        THR   1  -3.449 -14.271  -8.373
    4    HA   THR   1           HA       THR   1  -2.891 -12.126  -9.130
    5    HB   THR   1           HB       THR   1  -3.528 -10.661  -6.895
    6    HG1  THR   1           HG1      THR   1  -4.122 -11.883  -5.290
    7   1HG2  THR   1          3HG2      THR   1  -5.457 -12.615  -8.243
    8   2HG2  THR   1          1HG2      THR   1  -5.874 -11.196  -7.256
    9   3HG2  THR   1          2HG2      THR   1  -5.052 -10.974  -8.810
   10    H    GLN   2           H        GLN   2  -2.065  -9.832  -8.029
   11    HA   GLN   2           HA       GLN   2   0.381  -9.454  -6.849
   12   1HB   GLN   2          2HB       GLN   2   1.404 -11.032  -8.449
   13   2HB   GLN   2          1HB       GLN   2   0.661 -10.179  -9.804
   14   1HG   GLN   2          1HG       GLN   2   3.060  -9.709  -9.552
   15   2HG   GLN   2          2HG       GLN   2   2.122  -8.230  -9.370
   16   1HE2  GLN   2          2HE2      GLN   2   3.685  -7.638  -6.247
   17   2HE2  GLN   2          1HE2      GLN   2   2.825  -6.968  -7.628
   18    H    SER   3           H        SER   3   0.488  -7.189  -6.732
   19    HA   SER   3           HA       SER   3  -0.866  -5.535  -8.870
   20   1HB   SER   3          1HB       SER   3  -0.299  -4.627  -6.031
   21   2HB   SER   3          2HB       SER   3  -1.190  -3.772  -7.269
   22    HG   SER   3           HG       SER   3  -1.989  -6.136  -5.948
   23    H    HIS   4           H        HIS   4   0.207  -3.107  -8.552
   24    HA   HIS   4           HA       HIS   4   3.162  -3.254  -8.843
   25   1HB   HIS   4          1HB       HIS   4   1.248  -2.225 -10.992
   26   2HB   HIS   4          2HB       HIS   4   3.001  -2.059 -11.045
   27    HD2  HIS   4           HD2      HIS   4   4.274  -4.786 -10.648
   28    HE1  HIS   4           HE1      HIS   4   1.178  -6.565 -12.920
   29    HE2  HIS   4           HE2      HIS   4   3.510  -6.932 -11.954
   30    H    ALA   5           H        ALA   5   3.720  -0.714  -9.717
   31    HA   ALA   5           HA       ALA   5   3.917   0.562  -7.249
   32   1HB   ALA   5          3HB       ALA   5   5.568   0.754  -9.011
   33   2HB   ALA   5          1HB       ALA   5   4.452   1.738  -9.991
   34   3HB   ALA   5          2HB       ALA   5   5.068   2.348  -8.443
   35    H    GLY   6           H        GLY   6   1.689   0.611  -6.589
   36   1HA   GLY   6          1HA       GLY   6   0.608   3.350  -6.554
   37   2HA   GLY   6          2HA       GLY   6  -0.466   2.082  -7.184
   38    H    GLN   7           H        GLN   7  -1.479   3.263  -5.010
   39    HA   GLN   7           HA       GLN   7  -0.124   2.693  -2.584
   40   1HB   GLN   7          1HB       GLN   7  -1.589   4.684  -3.208
   41   2HB   GLN   7          2HB       GLN   7  -2.964   3.663  -2.758
   42   1HG   GLN   7          2HG       GLN   7  -2.067   3.486  -0.449
   43   2HG   GLN   7          1HG       GLN   7  -0.582   4.320  -0.950
   44   1HE2  GLN   7          2HE2      GLN   7  -2.390   6.951   0.706
   45   2HE2  GLN   7          1HE2      GLN   7  -1.435   5.539   1.159
   46    H    CYS   8           H        CYS   8  -0.621   1.509  -0.776
   47    HA   CYS   8           HA       CYS   8  -2.073  -1.059  -1.112
   48   1HB   CYS   8          2HB       CYS   8   0.196  -1.097  -0.182
   49   2HB   CYS   8          1HB       CYS   8  -0.269   0.064   1.064
   50    H    GLY   9           H        GLY   9  -2.146   1.549   1.267
   51   1HA   GLY   9          1HA       GLY   9  -4.132   2.100   2.678
   52   2HA   GLY   9          2HA       GLY   9  -4.641   0.420   2.539
   53    H    GLY  10           H        GLY  10  -3.030   2.531   4.620
   54   1HA   GLY  10          1HA       GLY  10  -1.780   0.433   6.237
   55   2HA   GLY  10          2HA       GLY  10  -0.588   1.266   5.237
   56    H    ILE  11           H        ILE  11   0.531   2.611   6.564
   57    HA   ILE  11           HA       ILE  11  -0.186   3.347   9.159
   58    HB   ILE  11           HB       ILE  11   1.749   4.847   7.392
   59   1HG1  ILE  11          2HG1      ILE  11   2.471   2.619   9.331
   60   2HG1  ILE  11          1HG1      ILE  11   2.201   2.326   7.613
   61   1HG2  ILE  11          2HG2      ILE  11   1.153   6.073   9.490
   62   2HG2  ILE  11          3HG2      ILE  11   1.496   4.623  10.440
   63   3HG2  ILE  11          1HG2      ILE  11   2.798   5.484   9.608
   64   1HD1  ILE  11          2HD1      ILE  11   3.991   3.926   7.009
   65   2HD1  ILE  11          3HD1      ILE  11   4.352   4.163   8.733
   66   3HD1  ILE  11          1HD1      ILE  11   4.569   2.575   7.992
   67    H    GLY  12           H        GLY  12  -2.261   4.186   9.316
   68   1HA   GLY  12          2HA       GLY  12  -3.583   6.022   9.910
   69   2HA   GLY  12          1HA       GLY  12  -2.518   7.133   9.051
   70    H    TYR  13           H        TYR  13  -2.570   6.435   6.435
   71    HA   TYR  13           HA       TYR  13  -5.297   6.878   5.536
   72   1HB   TYR  13          1HB       TYR  13  -3.256   7.647   4.361
   73   2HB   TYR  13          2HB       TYR  13  -3.017   6.020   3.754
   74    HD1  TYR  13           HD2      TYR  13  -6.069   5.396   3.087
   75    HD2  TYR  13           HD1      TYR  13  -3.460   8.748   2.243
   76    HE1  TYR  13           HE2      TYR  13  -7.591   6.142   1.306
   77    HE2  TYR  13           HE1      TYR  13  -4.923   9.346   0.320
   78    HH   TYR  13           HH       TYR  13  -6.835   8.875  -0.811
   79    H    SER  14           H        SER  14  -6.334   5.270   6.685
   80    HA   SER  14           HA       SER  14  -6.511   2.526   5.554
   81   1HB   SER  14          2HB       SER  14  -6.527   2.872   8.012
   82   2HB   SER  14          1HB       SER  14  -8.004   3.833   7.878
   83    HG   SER  14           HG       SER  14  -8.770   1.796   6.676
   84    H    GLY  15           H        GLY  15  -7.644   5.314   4.328
   85   1HA   GLY  15          2HA       GLY  15 -10.471   4.715   3.902
   86   2HA   GLY  15          1HA       GLY  15  -9.529   6.002   3.152
   87    HA   PRO  16           HA       PRO  16 -10.581   2.618  -0.076
   88   1HB   PRO  16          2HB       PRO  16 -11.835   5.103  -1.271
   89   2HB   PRO  16          1HB       PRO  16 -12.299   3.396  -1.491
   90   1HG   PRO  16          2HG       PRO  16 -13.656   4.906   0.280
   91   2HG   PRO  16          1HG       PRO  16 -13.097   3.287   0.796
   92   1HD   PRO  16          1HD       PRO  16 -11.754   5.973   1.324
   93   2HD   PRO  16          2HD       PRO  16 -12.162   4.671   2.475
   94    H    THR  17           H        THR  17  -8.154   2.903  -0.009
   95    HA   THR  17           HA       THR  17  -7.332   3.611  -2.788
   96    HB   THR  17           HB       THR  17  -6.639   5.433  -1.253
   97    HG1  THR  17           HG1      THR  17  -4.509   5.453  -2.099
   98   1HG2  THR  17          2HG2      THR  17  -6.018   3.997   0.747
   99   2HG2  THR  17          3HG2      THR  17  -4.557   3.501  -0.120
  100   3HG2  THR  17          1HG2      THR  17  -4.799   5.194   0.271
  101    H    VAL  18           H        VAL  18  -8.182   1.313  -2.443
  102    HA   VAL  18           HA       VAL  18  -6.270  -0.565  -1.196
  103    HB   VAL  18           HB       VAL  18  -8.510  -0.358  -0.273
  104   1HG1  VAL  18          2HG1      VAL  18  -9.827   0.078  -2.368
  105   2HG1  VAL  18          3HG1      VAL  18  -9.597  -1.619  -2.831
  106   3HG1  VAL  18          1HG1      VAL  18 -10.498  -1.215  -1.366
  107   1HG2  VAL  18          3HG2      VAL  18  -7.248  -2.466  -0.019
  108   2HG2  VAL  18          1HG2      VAL  18  -8.997  -2.742  -0.063
  109   3HG2  VAL  18          2HG2      VAL  18  -8.011  -3.108  -1.487
  110    H    CYS  19           H        CYS  19  -5.252  -2.121  -2.204
  111    HA   CYS  19           HA       CYS  19  -5.556  -2.566  -5.125
  112   1HB   CYS  19          1HB       CYS  19  -3.294  -3.424  -4.971
  113   2HB   CYS  19          2HB       CYS  19  -3.386  -1.892  -4.123
  114    H    ALA  20           H        ALA  20  -4.475  -4.964  -5.594
  115    HA   ALA  20           HA       ALA  20  -6.540  -6.919  -4.819
  116   1HB   ALA  20          2HB       ALA  20  -5.884  -6.650  -7.177
  117   2HB   ALA  20          3HB       ALA  20  -4.226  -7.143  -6.777
  118   3HB   ALA  20          1HB       ALA  20  -5.568  -8.288  -6.578
  119    H    SER  21           H        SER  21  -6.279  -8.415  -3.261
  120    HA   SER  21           HA       SER  21  -3.952  -8.688  -1.650
  121   1HB   SER  21          1HB       SER  21  -6.322  -9.228  -0.953
  122   2HB   SER  21          2HB       SER  21  -6.200 -10.725  -1.888
  123    HG   SER  21           HG       SER  21  -4.730  -9.961   0.429
  124    H    GLY  22           H        GLY  22  -3.148 -11.041  -1.066
  125   1HA   GLY  22          1HA       GLY  22  -1.313 -12.388  -1.552
  126   2HA   GLY  22          2HA       GLY  22  -2.009 -12.696  -3.138
  127    H    THR  23           H        THR  23  -0.731  -9.862  -1.459
  128    HA   THR  23           HA       THR  23   1.587  -9.293  -3.136
  129    HB   THR  23           HB       THR  23  -0.724  -7.272  -3.003
  130    HG1  THR  23           HG1      THR  23  -1.352  -8.856  -4.391
  131   1HG2  THR  23          3HG2      THR  23   1.914  -7.333  -4.528
  132   2HG2  THR  23          1HG2      THR  23   0.644  -6.149  -4.805
  133   3HG2  THR  23          2HG2      THR  23   1.449  -6.201  -3.238
  134    H    THR  24           H        THR  24   2.985  -7.624  -1.902
  135    HA   THR  24           HA       THR  24   2.055  -7.323   0.923
  136    HB   THR  24           HB       THR  24   4.452  -6.901   1.515
  137    HG1  THR  24           HG1      THR  24   5.752  -8.230  -0.142
  138   1HG2  THR  24          3HG2      THR  24   3.606  -9.615   0.436
  139   2HG2  THR  24          1HG2      THR  24   4.955  -9.336   1.563
  140   3HG2  THR  24          2HG2      THR  24   3.295  -8.969   2.062
  141    H    CYS  25           H        CYS  25   2.571  -5.601   2.151
  142    HA   CYS  25           HA       CYS  25   1.836  -3.046   0.896
  143   1HB   CYS  25          1HB       CYS  25   0.680  -4.341   2.859
  144   2HB   CYS  25          2HB       CYS  25   1.967  -3.686   3.859
  145    H    GLN  26           H        GLN  26   4.057  -2.811   0.014
  146    HA   GLN  26           HA       GLN  26   6.357  -2.366   1.689
  147   1HB   GLN  26          1HB       GLN  26   6.429  -3.141  -0.649
  148   2HB   GLN  26          2HB       GLN  26   5.828  -1.583  -1.213
  149   1HG   GLN  26          2HG       GLN  26   8.264  -1.815  -1.548
  150   2HG   GLN  26          1HG       GLN  26   7.892  -0.475  -0.477
  151   1HE2  GLN  26          2HE2      GLN  26  10.125  -3.542   0.943
  152   2HE2  GLN  26          1HE2      GLN  26   9.360  -3.723  -0.644
  153    H    VAL  27           H        VAL  27   7.583  -0.419   1.985
  154    HA   VAL  27           HA       VAL  27   5.967   2.102   2.171
  155    HB   VAL  27           HB       VAL  27   6.313   1.088   4.332
  156   1HG1  VAL  27          1HG2      VAL  27   9.317   1.364   3.842
  157   2HG1  VAL  27          2HG2      VAL  27   8.543   0.944   5.378
  158   3HG1  VAL  27          3HG2      VAL  27   8.416  -0.156   4.003
  159   1HG2  VAL  27          2HG1      VAL  27   6.248   3.563   4.106
  160   2HG2  VAL  27          3HG1      VAL  27   7.227   3.045   5.488
  161   3HG2  VAL  27          1HG1      VAL  27   8.025   3.585   4.001
  162    H    LEU  28           H        LEU  28   6.778   3.966   1.455
  163    HA   LEU  28           HA       LEU  28   9.611   4.117   0.397
  164   1HB   LEU  28          1HB       LEU  28   7.098   5.646  -0.349
  165   2HB   LEU  28          2HB       LEU  28   8.709   6.262  -0.669
  166    HG   LEU  28           HG       LEU  28   9.271   4.310  -2.034
  167   1HD1  LEU  28          1HD2      LEU  28   6.405   3.409  -1.498
  168   2HD1  LEU  28          2HD2      LEU  28   7.388   2.822  -2.854
  169   3HD1  LEU  28          3HD2      LEU  28   7.912   2.508  -1.205
  170   1HD2  LEU  28          1HD1      LEU  28   6.709   5.760  -2.845
  171   2HD2  LEU  28          2HD1      LEU  28   8.374   6.339  -3.071
  172   3HD2  LEU  28          3HD1      LEU  28   7.807   4.912  -3.950
  173    H    ASN  29           H        ASN  29   7.235   6.348   1.829
  174    HA   ASN  29           HA       ASN  29   9.141   7.051   4.022
  175   1HB   ASN  29          1HB       ASN  29   7.158   8.913   2.619
  176   2HB   ASN  29          2HB       ASN  29   8.134   9.349   4.014
  177   1HD2  ASN  29          1HD2      ASN  29  11.191   9.436   2.043
  178   2HD2  ASN  29          2HD2      ASN  29  10.687   8.781   3.596
  179    HA   PRO  30           HA       PRO  30   5.885   5.699   6.765
  180   1HB   PRO  30          2HB       PRO  30   6.029   7.520   8.849
  181   2HB   PRO  30          1HB       PRO  30   7.203   6.204   8.583
  182   1HG   PRO  30          1HG       PRO  30   7.451   9.081   7.654
  183   2HG   PRO  30          2HG       PRO  30   8.648   8.127   8.576
  184   1HD   PRO  30          2HD       PRO  30   8.877   8.350   5.923
  185   2HD   PRO  30          1HD       PRO  30   9.128   6.746   6.661
  186    H    TYR  31           H        TYR  31   3.712   6.117   7.101
  187    HA   TYR  31           HA       TYR  31   1.662   6.937   6.772
  188   1HB   TYR  31          1HB       TYR  31   2.833   9.671   6.263
  189   2HB   TYR  31          2HB       TYR  31   1.137   9.273   6.301
  190    HD1  TYR  31           HD1      TYR  31  -0.015   8.549   8.365
  191    HD2  TYR  31           HD2      TYR  31   4.151   9.703   8.410
  192    HE1  TYR  31           HE1      TYR  31  -0.080   8.729  10.853
  193    HE2  TYR  31           HE2      TYR  31   4.051   9.931  10.886
  194    HH   TYR  31           HH       TYR  31   2.745   9.807  12.725
  195    H    TYR  32           H        TYR  32   3.913   7.213   4.093
  196    HA   TYR  32           HA       TYR  32   1.677   6.614   2.187
  197   1HB   TYR  32          2HB       TYR  32   3.374   8.186   1.390
  198   2HB   TYR  32          1HB       TYR  32   4.626   6.973   1.598
  199    HD1  TYR  32           HD1      TYR  32   1.521   7.864  -0.283
  200    HD2  TYR  32           HD2      TYR  32   4.911   5.191  -0.115
  201    HE1  TYR  32           HE1      TYR  32   0.869   6.890  -2.465
  202    HE2  TYR  32           HE2      TYR  32   4.293   4.318  -2.393
  203    HH   TYR  32           HH       TYR  32   1.292   5.296  -3.989
  204    H    SER  33           H        SER  33   1.601   4.579   1.112
  205    HA   SER  33           HA       SER  33   3.619   2.547   1.550
  206   1HB   SER  33          1HB       SER  33   2.387   2.115   3.586
  207   2HB   SER  33          2HB       SER  33   0.846   2.059   2.705
  208    HG   SER  33           HG       SER  33   3.033   0.278   2.226
  209    H    GLN  34           H        GLN  34   3.764   1.180  -0.116
  210    HA   GLN  34           HA       GLN  34   1.875   1.417  -2.392
  211   1HB   GLN  34          1HB       GLN  34   4.432   2.219  -2.393
  212   2HB   GLN  34          2HB       GLN  34   4.748   0.536  -2.733
  213   1HG   GLN  34          1HG       GLN  34   3.396   0.668  -4.779
  214   2HG   GLN  34          2HG       GLN  34   2.765   2.251  -4.318
  215   1HE2  GLN  34          2HE2      GLN  34   5.474   4.002  -5.701
  216   2HE2  GLN  34          1HE2      GLN  34   3.909   4.135  -4.874
  217    H    CYS  35           H        CYS  35   1.325  -0.468  -3.608
  218    HA   CYS  35           HA       CYS  35   1.369  -2.995  -2.031
  219   1HB   CYS  35          1HB       CYS  35  -0.735  -1.890  -2.591
  220   2HB   CYS  35          2HB       CYS  35  -0.419  -2.121  -4.305
  221    H    LEU  36           H        LEU  36   3.256  -4.066  -2.575
  222    HA   LEU  36           HA       LEU  36   3.948  -4.594  -5.444
  223   1HB   LEU  36          1HB       LEU  36   5.593  -3.593  -3.130
  224   2HB   LEU  36          2HB       LEU  36   6.339  -4.761  -4.204
  225    HG   LEU  36           HG       LEU  36   5.999  -3.383  -6.151
  226   1HD1  LEU  36          1HD2      LEU  36   4.675  -1.396  -4.255
  227   2HD1  LEU  36          2HD2      LEU  36   5.269  -0.981  -5.879
  228   3HD1  LEU  36          3HD2      LEU  36   3.962  -2.150  -5.697
  229   1HD2  LEU  36          3HD1      LEU  36   8.028  -3.121  -4.707
  230   2HD2  LEU  36          1HD1      LEU  36   7.618  -1.637  -5.587
  231   3HD2  LEU  36          2HD1      LEU  36   7.225  -1.781  -3.863
   
  No H/Q in entry =         231
  Start of MODEL    6
    1   1H    THR   1          3H        THR   1  -9.235  -8.218  -4.935
    2   2H    THR   1          1H        THR   1  -9.308  -8.296  -6.588
    3   3H    THR   1          2H        THR   1  -8.544  -9.498  -5.749
    4    HA   THR   1           HA       THR   1  -6.742  -8.050  -5.256
    5    HB   THR   1           HB       THR   1  -6.143  -7.271  -7.645
    6    HG1  THR   1           HG1      THR   1  -7.695  -7.671  -9.221
    7   1HG2  THR   1          2HG2      THR   1  -5.864  -9.763  -6.912
    8   2HG2  THR   1          3HG2      THR   1  -7.374 -10.069  -7.795
    9   3HG2  THR   1          1HG2      THR   1  -5.975  -9.433  -8.647
   10    H    GLN   2           H        GLN   2  -6.103  -5.893  -4.543
   11    HA   GLN   2           HA       GLN   2  -7.589  -3.586  -5.750
   12   1HB   GLN   2          2HB       GLN   2  -6.936  -3.753  -3.249
   13   2HB   GLN   2          1HB       GLN   2  -5.330  -3.301  -3.772
   14   1HG   GLN   2          1HG       GLN   2  -7.831  -1.663  -4.501
   15   2HG   GLN   2          2HG       GLN   2  -7.078  -1.532  -2.914
   16   1HE2  GLN   2          2HE2      GLN   2  -5.735   1.241  -4.883
   17   2HE2  GLN   2          1HE2      GLN   2  -7.406   0.744  -4.636
   18    H    SER   3           H        SER   3  -4.686  -2.294  -5.551
   19    HA   SER   3           HA       SER   3  -3.877  -2.973  -8.338
   20   1HB   SER   3          1HB       SER   3  -4.374  -0.573  -7.694
   21   2HB   SER   3          2HB       SER   3  -3.018  -0.653  -6.555
   22    HG   SER   3           HG       SER   3  -2.013   0.013  -8.402
   23    H    HIS   4           H        HIS   4  -1.437  -2.444  -8.523
   24    HA   HIS   4           HA       HIS   4   0.260  -3.734  -6.396
   25   1HB   HIS   4          1HB       HIS   4   0.355  -5.214  -8.253
   26   2HB   HIS   4          2HB       HIS   4   0.522  -3.903  -9.420
   27    HD2  HIS   4           HD2      HIS   4   2.727  -5.540  -6.567
   28    HE1  HIS   4           HE1      HIS   4   5.214  -3.667  -9.429
   29    HE2  HIS   4           HE2      HIS   4   5.190  -5.151  -7.351
   30    H    ALA   5           H        ALA   5   1.386  -1.910  -9.173
   31    HA   ALA   5           HA       ALA   5   2.712   0.171  -8.010
   32   1HB   ALA   5          2HB       ALA   5   2.615  -0.335 -10.424
   33   2HB   ALA   5          3HB       ALA   5   0.972   0.333 -10.507
   34   3HB   ALA   5          1HB       ALA   5   2.349   1.388 -10.116
   35    H    GLY   6           H        GLY   6   2.303   1.951  -6.877
   36   1HA   GLY   6          1HA       GLY   6   1.163   3.960  -6.276
   37   2HA   GLY   6          2HA       GLY   6  -0.387   3.261  -6.726
   38    H    GLN   7           H        GLN   7  -0.931   4.267  -4.577
   39    HA   GLN   7           HA       GLN   7   0.201   3.214  -2.134
   40   1HB   GLN   7          1HB       GLN   7  -0.576   5.536  -2.349
   41   2HB   GLN   7          2HB       GLN   7  -2.245   4.968  -2.538
   42   1HG   GLN   7          2HG       GLN   7  -2.096   3.889  -0.258
   43   2HG   GLN   7          1HG       GLN   7  -0.451   4.490  -0.102
   44   1HE2  GLN   7          2HE2      GLN   7  -1.905   7.202   1.651
   45   2HE2  GLN   7          1HE2      GLN   7  -0.773   5.870   1.723
   46    H    CYS   8           H        CYS   8  -0.281   1.321  -1.230
   47    HA   CYS   8           HA       CYS   8  -2.802  -0.154  -1.865
   48   1HB   CYS   8          2HB       CYS   8  -1.567  -2.112  -0.979
   49   2HB   CYS   8          1HB       CYS   8  -0.781  -1.292  -2.321
   50    H    GLY   9           H        GLY   9  -1.178   1.174   0.984
   51   1HA   GLY   9          1HA       GLY   9  -3.485   1.483   2.599
   52   2HA   GLY   9          2HA       GLY   9  -2.860  -0.126   2.955
   53    H    GLY  10           H        GLY  10  -2.081   3.313   3.044
   54   1HA   GLY  10          1HA       GLY  10   0.239   2.972   4.897
   55   2HA   GLY  10          2HA       GLY  10  -0.370   4.428   4.133
   56    H    ILE  11           H        ILE  11  -0.314   5.525   6.161
   57    HA   ILE  11           HA       ILE  11  -2.475   4.888   8.150
   58    HB   ILE  11           HB       ILE  11   0.081   6.428   8.705
   59   1HG1  ILE  11          2HG1      ILE  11  -0.648   3.603   9.602
   60   2HG1  ILE  11          1HG1      ILE  11   0.495   3.968   8.312
   61   1HG2  ILE  11          2HG2      ILE  11  -1.895   7.105  10.063
   62   2HG2  ILE  11          3HG2      ILE  11  -2.076   5.421  10.596
   63   3HG2  ILE  11          1HG2      ILE  11  -0.631   6.354  11.031
   64   1HD1  ILE  11          2HD1      ILE  11   1.891   5.276   9.948
   65   2HD1  ILE  11          3HD1      ILE  11   0.853   4.640  11.245
   66   3HD1  ILE  11          1HD1      ILE  11   1.794   3.533  10.239
   67    H    GLY  12           H        GLY  12  -4.189   6.151   7.513
   68   1HA   GLY  12          2HA       GLY  12  -5.380   8.018   6.671
   69   2HA   GLY  12          1HA       GLY  12  -3.912   8.987   6.700
   70    H    TYR  13           H        TYR  13  -5.625   6.445   4.901
   71    HA   TYR  13           HA       TYR  13  -3.839   6.722   2.524
   72   1HB   TYR  13          1HB       TYR  13  -4.111   4.249   2.325
   73   2HB   TYR  13          2HB       TYR  13  -3.279   4.798   3.767
   74    HD1  TYR  13           HD1      TYR  13  -4.348   4.703   6.004
   75    HD2  TYR  13           HD2      TYR  13  -6.320   3.082   2.520
   76    HE1  TYR  13           HE1      TYR  13  -5.913   3.434   7.475
   77    HE2  TYR  13           HE2      TYR  13  -7.784   1.733   4.006
   78    HH   TYR  13           HH       TYR  13  -7.823   0.842   6.166
   79    H    SER  14           H        SER  14  -4.588   6.299   0.446
   80    HA   SER  14           HA       SER  14  -7.240   7.229  -0.077
   81   1HB   SER  14          1HB       SER  14  -5.193   6.124  -2.031
   82   2HB   SER  14          2HB       SER  14  -6.593   7.131  -2.421
   83    HG   SER  14           HG       SER  14  -4.299   7.851  -0.901
   84    H    GLY  15           H        GLY  15  -8.109   5.177   1.250
   85   1HA   GLY  15          2HA       GLY  15 -10.228   4.242   0.644
   86   2HA   GLY  15          1HA       GLY  15  -9.600   3.670  -0.875
   87    HA   PRO  16           HA       PRO  16  -9.550  -0.234   1.497
   88   1HB   PRO  16          2HB       PRO  16  -7.816  -1.236  -0.759
   89   2HB   PRO  16          1HB       PRO  16  -9.249  -2.002  -0.023
   90   1HG   PRO  16          2HG       PRO  16  -9.473  -0.748  -2.417
   91   2HG   PRO  16          1HG       PRO  16 -10.723  -0.494  -1.168
   92   1HD   PRO  16          2HD       PRO  16  -8.351   1.312  -1.812
   93   2HD   PRO  16          1HD       PRO  16 -10.090   1.717  -1.646
   94    H    THR  17           H        THR  17  -7.957  -1.875   2.317
   95    HA   THR  17           HA       THR  17  -5.298  -0.644   3.025
   96    HB   THR  17           HB       THR  17  -6.851  -2.520   4.849
   97    HG1  THR  17           HG1      THR  17  -7.966  -0.440   4.280
   98   1HG2  THR  17          2HG2      THR  17  -4.431  -2.093   5.365
   99   2HG2  THR  17          3HG2      THR  17  -4.768  -0.350   5.411
  100   3HG2  THR  17          1HG2      THR  17  -5.515  -1.433   6.600
  101    H    VAL  18           H        VAL  18  -5.041  -2.052   0.801
  102    HA   VAL  18           HA       VAL  18  -3.775  -4.551   1.292
  103    HB   VAL  18           HB       VAL  18  -6.019  -5.334   1.927
  104   1HG1  VAL  18          2HG1      VAL  18  -7.425  -3.812   0.595
  105   2HG1  VAL  18          3HG1      VAL  18  -6.910  -4.633  -0.896
  106   3HG1  VAL  18          1HG1      VAL  18  -7.863  -5.502   0.325
  107   1HG2  VAL  18          3HG2      VAL  18  -4.450  -6.926   0.805
  108   2HG2  VAL  18          1HG2      VAL  18  -6.163  -7.333   0.684
  109   3HG2  VAL  18          2HG2      VAL  18  -5.342  -6.638  -0.711
  110    H    CYS  19           H        CYS  19  -3.162  -5.726  -0.588
  111    HA   CYS  19           HA       CYS  19  -2.814  -4.049  -3.033
  112   1HB   CYS  19          2HB       CYS  19  -0.851  -4.726  -1.764
  113   2HB   CYS  19          1HB       CYS  19  -1.278  -6.433  -1.894
  114    H    ALA  20           H        ALA  20  -2.507  -5.473  -5.118
  115    HA   ALA  20           HA       ALA  20  -4.770  -7.031  -5.766
  116   1HB   ALA  20          3HB       ALA  20  -2.102  -6.729  -7.160
  117   2HB   ALA  20          1HB       ALA  20  -3.493  -7.617  -7.825
  118   3HB   ALA  20          2HB       ALA  20  -3.618  -5.886  -7.491
  119    H    SER  21           H        SER  21  -1.433  -8.370  -5.691
  120    HA   SER  21           HA       SER  21  -1.648 -10.501  -3.988
  121   1HB   SER  21          1HB       SER  21  -3.536 -11.393  -5.507
  122   2HB   SER  21          2HB       SER  21  -2.336 -11.462  -6.799
  123    HG   SER  21           HG       SER  21  -2.362 -12.840  -4.276
  124    H    GLY  22           H        GLY  22  -0.193 -12.493  -4.806
  125   1HA   GLY  22          1HA       GLY  22   2.022 -13.109  -4.847
  126   2HA   GLY  22          2HA       GLY  22   2.304 -11.936  -6.130
  127    H    THR  23           H        THR  23   2.679  -9.671  -5.436
  128    HA   THR  23           HA       THR  23   4.522  -9.308  -3.302
  129    HB   THR  23           HB       THR  23   2.904  -7.244  -4.836
  130    HG1  THR  23           HG1      THR  23   5.285  -7.238  -5.733
  131   1HG2  THR  23          2HG2      THR  23   4.153  -6.375  -2.718
  132   2HG2  THR  23          3HG2      THR  23   5.632  -6.872  -3.531
  133   3HG2  THR  23          1HG2      THR  23   4.519  -5.673  -4.250
  134    H    THR  24           H        THR  24   4.336  -8.277  -1.283
  135    HA   THR  24           HA       THR  24   1.644  -7.765  -0.117
  136    HB   THR  24           HB       THR  24   2.671  -7.883   2.053
  137    HG1  THR  24           HG1      THR  24   4.969  -8.454   2.090
  138   1HG2  THR  24          2HG2      THR  24   2.124 -10.065   0.909
  139   2HG2  THR  24          3HG2      THR  24   3.809 -10.163   0.370
  140   3HG2  THR  24          1HG2      THR  24   3.435 -10.197   2.100
  141    H    CYS  25           H        CYS  25   1.358  -5.904   1.307
  142    HA   CYS  25           HA       CYS  25   2.050  -3.456  -0.041
  143   1HB   CYS  25          1HB       CYS  25  -0.145  -4.067   0.957
  144   2HB   CYS  25          2HB       CYS  25   0.558  -3.955   2.572
  145    H    GLN  26           H        GLN  26   4.048  -2.411   0.170
  146    HA   GLN  26           HA       GLN  26   5.593  -2.833   2.677
  147   1HB   GLN  26          1HB       GLN  26   7.276  -3.575   1.471
  148   2HB   GLN  26          2HB       GLN  26   6.186  -3.621   0.099
  149   1HG   GLN  26          2HG       GLN  26   8.041  -2.516  -0.741
  150   2HG   GLN  26          1HG       GLN  26   6.919  -1.228  -0.460
  151   1HE2  GLN  26          1HE2      GLN  26  10.040  -1.447   2.199
  152   2HE2  GLN  26          2HE2      GLN  26   9.273  -2.979   1.723
  153    H    VAL  27           H        VAL  27   7.019  -1.199   3.501
  154    HA   VAL  27           HA       VAL  27   5.654   1.433   3.371
  155    HB   VAL  27           HB       VAL  27   5.466   0.345   5.421
  156   1HG1  VAL  27          1HG2      VAL  27   8.501   0.168   5.644
  157   2HG1  VAL  27          2HG2      VAL  27   7.346  -0.144   6.936
  158   3HG1  VAL  27          3HG2      VAL  27   7.349  -1.169   5.505
  159   1HG2  VAL  27          2HG1      VAL  27   5.723   2.809   5.409
  160   2HG2  VAL  27          3HG1      VAL  27   6.252   2.070   6.932
  161   3HG2  VAL  27          1HG1      VAL  27   7.458   2.621   5.758
  162    H    LEU  28           H        LEU  28   6.593   2.845   1.960
  163    HA   LEU  28           HA       LEU  28   9.462   3.414   1.800
  164   1HB   LEU  28          1HB       LEU  28   6.956   4.901   0.885
  165   2HB   LEU  28          2HB       LEU  28   8.564   5.606   0.782
  166    HG   LEU  28           HG       LEU  28   9.353   3.738  -0.625
  167   1HD1  LEU  28          1HD2      LEU  28   6.418   2.899  -0.584
  168   2HD1  LEU  28          2HD2      LEU  28   7.634   2.293  -1.738
  169   3HD1  LEU  28          3HD2      LEU  28   7.804   1.954  -0.023
  170   1HD2  LEU  28          2HD1      LEU  28   8.540   5.878  -1.591
  171   2HD2  LEU  28          3HD1      LEU  28   8.191   4.508  -2.658
  172   3HD2  LEU  28          1HD1      LEU  28   6.893   5.216  -1.673
  173    H    ASN  29           H        ASN  29   6.772   5.323   3.089
  174    HA   ASN  29           HA       ASN  29   8.251   5.933   5.580
  175   1HB   ASN  29          1HB       ASN  29   6.836   8.014   3.826
  176   2HB   ASN  29          2HB       ASN  29   7.195   8.268   5.529
  177   1HD2  ASN  29          1HD2      ASN  29  10.355   8.329   2.966
  178   2HD2  ASN  29          2HD2      ASN  29   8.894   7.504   2.415
  179    HA   PRO  30           HA       PRO  30   4.956   4.034   7.489
  180   1HB   PRO  30          2HB       PRO  30   4.200   5.860   9.573
  181   2HB   PRO  30          1HB       PRO  30   5.373   4.531   9.630
  182   1HG   PRO  30          1HG       PRO  30   5.860   7.455   9.114
  183   2HG   PRO  30          2HG       PRO  30   6.876   6.308  10.022
  184   1HD   PRO  30          2HD       PRO  30   7.553   7.057   7.533
  185   2HD   PRO  30          1HD       PRO  30   7.736   5.348   8.008
  186    H    TYR  31           H        TYR  31   4.002   7.440   6.966
  187    HA   TYR  31           HA       TYR  31   1.217   6.949   7.009
  188   1HB   TYR  31          1HB       TYR  31   2.800   9.258   5.875
  189   2HB   TYR  31          2HB       TYR  31   1.044   9.203   5.940
  190    HD1  TYR  31           HD1      TYR  31   4.120   9.417   8.057
  191    HD2  TYR  31           HD2      TYR  31  -0.193   9.500   8.028
  192    HE1  TYR  31           HE1      TYR  31   4.080   9.697  10.542
  193    HE2  TYR  31           HE2      TYR  31  -0.218   9.538  10.505
  194    HH   TYR  31           HH       TYR  31   1.027   9.599  12.372
  195    H    TYR  32           H        TYR  32   3.369   6.487   4.249
  196    HA   TYR  32           HA       TYR  32   1.035   5.680   2.548
  197   1HB   TYR  32          2HB       TYR  32   1.135   7.768   1.766
  198   2HB   TYR  32          1HB       TYR  32   2.847   7.954   2.067
  199    HD1  TYR  32           HD1      TYR  32   1.663   5.094  -0.096
  200    HD2  TYR  32           HD2      TYR  32   3.147   9.153   0.026
  201    HE1  TYR  32           HE1      TYR  32   2.294   4.942  -2.487
  202    HE2  TYR  32           HE2      TYR  32   3.975   8.903  -2.295
  203    HH   TYR  32           HH       TYR  32   4.305   7.452  -4.000
  204    H    SER  33           H        SER  33   1.482   3.609   2.966
  205    HA   SER  33           HA       SER  33   3.843   2.238   1.955
  206   1HB   SER  33          1HB       SER  33   2.652   1.288   3.836
  207   2HB   SER  33          2HB       SER  33   1.140   1.258   2.923
  208    HG   SER  33           HG       SER  33   3.462  -0.164   2.103
  209    H    GLN  34           H        GLN  34   4.072   0.994   0.182
  210    HA   GLN  34           HA       GLN  34   2.262   1.250  -2.170
  211   1HB   GLN  34          1HB       GLN  34   4.174   2.972  -1.906
  212   2HB   GLN  34          2HB       GLN  34   5.283   1.612  -2.097
  213   1HG   GLN  34          1HG       GLN  34   4.359   1.253  -4.394
  214   2HG   GLN  34          2HG       GLN  34   3.286   2.630  -4.167
  215   1HE2  GLN  34          2HE2      GLN  34   5.935   4.923  -4.863
  216   2HE2  GLN  34          1HE2      GLN  34   4.237   4.868  -4.376
  217    H    CYS  35           H        CYS  35   2.279  -0.622  -3.582
  218    HA   CYS  35           HA       CYS  35   3.523  -3.067  -2.380
  219   1HB   CYS  35          1HB       CYS  35   1.031  -2.817  -2.705
  220   2HB   CYS  35          2HB       CYS  35   1.327  -2.998  -4.432
  221    H    LEU  36           H        LEU  36   5.512  -3.477  -3.180
  222    HA   LEU  36           HA       LEU  36   6.151  -3.266  -6.102
  223   1HB   LEU  36          1HB       LEU  36   7.680  -2.705  -3.563
  224   2HB   LEU  36          2HB       LEU  36   8.557  -3.239  -4.987
  225    HG   LEU  36           HG       LEU  36   7.891  -1.380  -6.298
  226   1HD1  LEU  36          3HD1      LEU  36   6.069  -0.568  -3.986
  227   2HD1  LEU  36          1HD1      LEU  36   6.523   0.486  -5.343
  228   3HD1  LEU  36          2HD1      LEU  36   5.594  -0.966  -5.657
  229   1HD2  LEU  36          3HD2      LEU  36   9.780  -1.077  -4.718
  230   2HD2  LEU  36          1HD2      LEU  36   8.922   0.452  -4.978
  231   3HD2  LEU  36          2HD2      LEU  36   8.659  -0.466  -3.484
   
  No H/Q in entry =         231
  Start of MODEL    7
    1   1H    THR   1          3H        THR   1  -3.028 -12.311 -11.264
    2   2H    THR   1          1H        THR   1  -4.085 -13.171 -10.326
    3   3H    THR   1          2H        THR   1  -4.673 -12.232 -11.543
    4    HA   THR   1           HA       THR   1  -4.193 -10.276 -10.342
    5    HB   THR   1           HB       THR   1  -5.079 -10.978  -7.902
    6    HG1  THR   1           HG1      THR   1  -6.199 -12.994  -8.113
    7   1HG2  THR   1          3HG2      THR   1  -6.824 -11.339 -10.385
    8   2HG2  THR   1          1HG2      THR   1  -7.376 -11.059  -8.725
    9   3HG2  THR   1          2HG2      THR   1  -6.486  -9.792  -9.573
   10    H    GLN   2           H        GLN   2  -2.488  -9.218  -9.617
   11    HA   GLN   2           HA       GLN   2  -0.491 -10.375  -7.753
   12   1HB   GLN   2          1HB       GLN   2  -0.116  -9.527 -10.669
   13   2HB   GLN   2          2HB       GLN   2   1.161  -9.298  -9.505
   14   1HG   GLN   2          1HG       GLN   2   1.620 -11.361 -10.520
   15   2HG   GLN   2          2HG       GLN   2   1.102 -11.681  -8.866
   16   1HE2  GLN   2          2HE2      GLN   2  -0.628 -14.321 -10.555
   17   2HE2  GLN   2          1HE2      GLN   2   0.754 -13.917  -9.549
   18    H    SER   3           H        SER   3   1.129  -8.634  -7.132
   19    HA   SER   3           HA       SER   3   0.022  -6.224  -6.218
   20   1HB   SER   3          1HB       SER   3   2.925  -6.930  -6.728
   21   2HB   SER   3          2HB       SER   3   2.312  -5.616  -5.724
   22    HG   SER   3           HG       SER   3   2.541  -7.272  -4.326
   23    H    HIS   4           H        HIS   4  -1.100  -5.273  -7.939
   24    HA   HIS   4           HA       HIS   4   0.506  -4.095 -10.193
   25   1HB   HIS   4          1HB       HIS   4  -1.171  -5.890 -10.662
   26   2HB   HIS   4          2HB       HIS   4  -2.431  -4.802 -10.055
   27    HD2  HIS   4           HD2      HIS   4   0.473  -4.238 -12.704
   28    HE1  HIS   4           HE1      HIS   4  -3.161  -2.663 -14.213
   29    HE2  HIS   4           HE2      HIS   4  -0.670  -2.923 -14.683
   30    H    ALA   5           H        ALA   5  -1.533  -3.017  -7.607
   31    HA   ALA   5           HA       ALA   5  -2.009  -0.344  -8.846
   32   1HB   ALA   5          2HB       ALA   5  -3.964  -1.564  -7.938
   33   2HB   ALA   5          3HB       ALA   5  -3.202  -1.564  -6.327
   34   3HB   ALA   5          1HB       ALA   5  -3.680  -0.039  -7.088
   35    H    GLY   6           H        GLY   6  -1.879   1.543  -7.235
   36   1HA   GLY   6          1HA       GLY   6   0.905   1.688  -6.378
   37   2HA   GLY   6          2HA       GLY   6  -0.254   2.995  -6.430
   38    H    GLN   7           H        GLN   7  -1.085   3.730  -4.488
   39    HA   GLN   7           HA       GLN   7   0.283   2.859  -2.106
   40   1HB   GLN   7          1HB       GLN   7  -0.122   5.229  -2.766
   41   2HB   GLN   7          2HB       GLN   7  -1.822   5.028  -2.301
   42   1HG   GLN   7          2HG       GLN   7  -0.991   4.296   0.002
   43   2HG   GLN   7          1HG       GLN   7   0.654   4.673  -0.545
   44   1HE2  GLN   7          2HE2      GLN   7  -0.551   7.563   1.388
   45   2HE2  GLN   7          1HE2      GLN   7  -0.284   5.863   1.781
   46    H    CYS   8           H        CYS   8  -0.351   1.056  -1.071
   47    HA   CYS   8           HA       CYS   8  -2.973  -0.113  -1.276
   48   1HB   CYS   8          1HB       CYS   8  -2.056  -1.866   0.237
   49   2HB   CYS   8          2HB       CYS   8  -1.078  -1.525  -1.181
   50    H    GLY   9           H        GLY   9  -1.491   1.638   1.429
   51   1HA   GLY   9          1HA       GLY   9  -3.787   2.727   2.510
   52   2HA   GLY   9          2HA       GLY   9  -3.759   1.134   3.259
   53    H    GLY  10           H        GLY  10  -1.638   3.966   2.774
   54   1HA   GLY  10          1HA       GLY  10   0.091   3.465   5.066
   55   2HA   GLY  10          2HA       GLY  10  -0.005   4.954   4.122
   56    H    ILE  11           H        ILE  11   0.464   5.639   6.495
   57    HA   ILE  11           HA       ILE  11  -1.724   5.775   8.397
   58    HB   ILE  11           HB       ILE  11   0.769   7.503   8.143
   59   1HG1  ILE  11          2HG1      ILE  11   0.177   4.974   9.753
   60   2HG1  ILE  11          1HG1      ILE  11   1.356   5.158   8.449
   61   1HG2  ILE  11          2HG2      ILE  11  -0.994   8.639   9.452
   62   2HG2  ILE  11          3HG2      ILE  11  -1.187   7.198  10.468
   63   3HG2  ILE  11          1HG2      ILE  11   0.316   8.143  10.494
   64   1HD1  ILE  11          2HD1      ILE  11   2.630   6.793   9.870
   65   2HD1  ILE  11          3HD1      ILE  11   1.509   6.426  11.205
   66   3HD1  ILE  11          1HD1      ILE  11   2.537   5.155  10.539
   67    H    GLY  12           H        GLY  12  -3.456   7.157   8.412
   68   1HA   GLY  12          2HA       GLY  12  -4.686   9.146   7.996
   69   2HA   GLY  12          1HA       GLY  12  -3.403   9.764   6.964
   70    H    TYR  13           H        TYR  13  -3.052   7.882   5.025
   71    HA   TYR  13           HA       TYR  13  -5.547   7.705   3.491
   72   1HB   TYR  13          1HB       TYR  13  -2.928   7.934   2.790
   73   2HB   TYR  13          2HB       TYR  13  -3.094   6.208   2.610
   74    HD1  TYR  13           HD2      TYR  13  -5.981   6.080   1.493
   75    HD2  TYR  13           HD1      TYR  13  -2.696   8.772   0.624
   76    HE1  TYR  13           HE2      TYR  13  -6.944   6.557  -0.723
   77    HE2  TYR  13           HE1      TYR  13  -3.700   9.239  -1.599
   78    HH   TYR  13           HH       TYR  13  -6.694   7.644  -2.675
   79    H    SER  14           H        SER  14  -5.726   6.350   5.977
   80    HA   SER  14           HA       SER  14  -5.136   3.521   5.709
   81   1HB   SER  14          1HB       SER  14  -6.542   5.048   7.947
   82   2HB   SER  14          2HB       SER  14  -5.753   3.467   8.064
   83    HG   SER  14           HG       SER  14  -3.821   4.797   7.237
   84    H    GLY  15           H        GLY  15  -6.825   3.642   3.732
   85   1HA   GLY  15          1HA       GLY  15  -9.363   2.351   4.579
   86   2HA   GLY  15          2HA       GLY  15  -9.504   3.999   3.939
   87    HA   PRO  16           HA       PRO  16 -10.303   0.925   0.560
   88   1HB   PRO  16          2HB       PRO  16 -12.063   3.283  -0.186
   89   2HB   PRO  16          1HB       PRO  16 -12.382   1.542  -0.409
   90   1HG   PRO  16          2HG       PRO  16 -13.464   2.772   1.721
   91   2HG   PRO  16          1HG       PRO  16 -12.565   1.250   2.008
   92   1HD   PRO  16          1HD       PRO  16 -11.514   4.098   2.298
   93   2HD   PRO  16          2HD       PRO  16 -11.482   2.760   3.483
   94    H    THR  17           H        THR  17  -7.920   1.668   0.169
   95    HA   THR  17           HA       THR  17  -7.859   2.300  -2.758
   96    HB   THR  17           HB       THR  17  -6.941   4.289  -1.777
   97    HG1  THR  17           HG1      THR  17  -4.700   2.775  -2.483
   98   1HG2  THR  17          3HG2      THR  17  -5.005   2.465  -0.258
   99   2HG2  THR  17          1HG2      THR  17  -4.891   4.222  -0.348
  100   3HG2  THR  17          2HG2      THR  17  -6.271   3.460   0.468
  101    H    VAL  18           H        VAL  18  -8.326  -0.126  -1.797
  102    HA   VAL  18           HA       VAL  18  -6.023  -1.580  -0.966
  103    HB   VAL  18           HB       VAL  18  -8.258  -1.999  -0.157
  104   1HG1  VAL  18          2HG1      VAL  18  -9.589  -1.732  -2.249
  105   2HG1  VAL  18          3HG1      VAL  18  -8.938  -3.267  -2.853
  106   3HG1  VAL  18          1HG1      VAL  18  -9.946  -3.243  -1.402
  107   1HG2  VAL  18          3HG2      VAL  18  -6.512  -3.722   0.036
  108   2HG2  VAL  18          1HG2      VAL  18  -8.138  -4.419  -0.059
  109   3HG2  VAL  18          2HG2      VAL  18  -7.071  -4.475  -1.471
  110    H    CYS  19           H        CYS  19  -4.536  -2.739  -2.012
  111    HA   CYS  19           HA       CYS  19  -4.430  -2.904  -4.890
  112   1HB   CYS  19          2HB       CYS  19  -2.479  -2.638  -3.314
  113   2HB   CYS  19          1HB       CYS  19  -2.708  -4.322  -2.824
  114    H    ALA  20           H        ALA  20  -4.351  -4.808  -6.206
  115    HA   ALA  20           HA       ALA  20  -6.131  -6.993  -5.616
  116   1HB   ALA  20          2HB       ALA  20  -5.648  -6.247  -7.905
  117   2HB   ALA  20          3HB       ALA  20  -3.945  -6.704  -7.716
  118   3HB   ALA  20          1HB       ALA  20  -5.207  -7.953  -7.709
  119    H    SER  21           H        SER  21  -5.612  -9.233  -5.303
  120    HA   SER  21           HA       SER  21  -3.861  -9.844  -3.243
  121   1HB   SER  21          1HB       SER  21  -5.721 -11.295  -3.936
  122   2HB   SER  21          2HB       SER  21  -4.785 -11.817  -5.365
  123    HG   SER  21           HG       SER  21  -4.570 -13.225  -3.450
  124    H    GLY  22           H        GLY  22  -1.970 -10.985  -3.004
  125   1HA   GLY  22          2HA       GLY  22   0.416 -11.336  -4.129
  126   2HA   GLY  22          1HA       GLY  22   0.093  -9.691  -4.717
  127    H    THR  23           H        THR  23  -1.182  -8.482  -2.752
  128    HA   THR  23           HA       THR  23  -1.309  -7.652  -0.638
  129    HB   THR  23           HB       THR  23  -0.187 -10.295   0.342
  130    HG1  THR  23           HG1      THR  23  -2.279 -11.132  -0.013
  131   1HG2  THR  23          3HG2      THR  23  -2.577  -8.615   1.262
  132   2HG2  THR  23          1HG2      THR  23  -2.054 -10.156   1.972
  133   3HG2  THR  23          2HG2      THR  23  -1.027  -8.735   2.119
  134    H    THR  24           H        THR  24   1.585  -7.718  -1.930
  135    HA   THR  24           HA       THR  24   3.540  -7.582   0.171
  136    HB   THR  24           HB       THR  24   5.004  -6.766  -1.657
  137    HG1  THR  24           HG1      THR  24   4.060  -6.427  -3.679
  138   1HG2  THR  24          3HG2      THR  24   4.443  -9.218  -1.463
  139   2HG2  THR  24          1HG2      THR  24   3.217  -8.983  -2.723
  140   3HG2  THR  24          2HG2      THR  24   4.925  -8.685  -3.081
  141    H    CYS  25           H        CYS  25   1.640  -5.913   1.135
  142    HA   CYS  25           HA       CYS  25   1.822  -3.186   0.332
  143   1HB   CYS  25          1HB       CYS  25  -0.155  -4.293   1.269
  144   2HB   CYS  25          2HB       CYS  25   0.657  -4.456   2.828
  145    H    GLN  26           H        GLN  26   4.012  -2.786   0.323
  146    HA   GLN  26           HA       GLN  26   5.717  -2.794   2.692
  147   1HB   GLN  26          1HB       GLN  26   6.013  -2.959  -0.176
  148   2HB   GLN  26          2HB       GLN  26   6.825  -1.494   0.272
  149   1HG   GLN  26          2HG       GLN  26   8.331  -3.456   0.266
  150   2HG   GLN  26          1HG       GLN  26   8.246  -2.749   1.879
  151   1HE2  GLN  26          2HE2      GLN  26   6.165  -6.255   1.453
  152   2HE2  GLN  26          1HE2      GLN  26   5.871  -4.987   0.249
  153    H    VAL  27           H        VAL  27   7.393  -0.741   2.503
  154    HA   VAL  27           HA       VAL  27   5.928   1.831   2.659
  155    HB   VAL  27           HB       VAL  27   5.758   1.025   4.889
  156   1HG1  VAL  27          3HG2      VAL  27   7.562  -0.667   4.937
  157   2HG1  VAL  27          1HG2      VAL  27   8.789   0.612   4.961
  158   3HG1  VAL  27          2HG2      VAL  27   7.657   0.428   6.313
  159   1HG2  VAL  27          2HG1      VAL  27   6.367   3.458   4.522
  160   2HG2  VAL  27          3HG1      VAL  27   6.762   2.816   6.121
  161   3HG2  VAL  27          1HG1      VAL  27   8.046   3.035   4.914
  162    H    LEU  28           H        LEU  28   7.023   3.527   1.880
  163    HA   LEU  28           HA       LEU  28   9.945   3.296   1.223
  164   1HB   LEU  28          1HB       LEU  28   7.771   5.180   0.240
  165   2HB   LEU  28          2HB       LEU  28   9.489   5.492   0.027
  166    HG   LEU  28           HG       LEU  28   9.814   3.417  -1.202
  167   1HD1  LEU  28          2HD1      LEU  28   6.793   3.022  -0.918
  168   2HD1  LEU  28          3HD1      LEU  28   7.817   2.165  -2.085
  169   3HD1  LEU  28          1HD1      LEU  28   8.075   1.923  -0.363
  170   1HD2  LEU  28          2HD2      LEU  28   9.270   5.533  -2.374
  171   2HD2  LEU  28          3HD2      LEU  28   8.656   4.124  -3.256
  172   3HD2  LEU  28          1HD2      LEU  28   7.540   5.129  -2.306
  173    H    ASN  29           H        ASN  29   7.850   5.909   2.484
  174    HA   ASN  29           HA       ASN  29   9.856   6.455   4.637
  175   1HB   ASN  29          1HB       ASN  29   7.919   8.436   3.404
  176   2HB   ASN  29          2HB       ASN  29   9.078   8.769   4.692
  177   1HD2  ASN  29          1HD2      ASN  29  11.882   8.512   2.326
  178   2HD2  ASN  29          2HD2      ASN  29  11.518   7.827   3.904
  179    HA   PRO  30           HA       PRO  30   7.176   4.645   7.542
  180   1HB   PRO  30          2HB       PRO  30   7.522   7.222   9.105
  181   2HB   PRO  30          1HB       PRO  30   7.455   5.547   9.727
  182   1HG   PRO  30          1HG       PRO  30   9.866   6.686   9.238
  183   2HG   PRO  30          2HG       PRO  30   9.559   5.006   8.722
  184   1HD   PRO  30          2HD       PRO  30   9.642   7.494   7.031
  185   2HD   PRO  30          1HD       PRO  30  10.143   5.815   6.662
  186    H    TYR  31           H        TYR  31   6.016   7.963   6.819
  187    HA   TYR  31           HA       TYR  31   3.338   7.690   7.751
  188   1HB   TYR  31          2HB       TYR  31   4.581   9.792   7.081
  189   2HB   TYR  31          1HB       TYR  31   4.385   9.325   5.405
  190    HD1  TYR  31           HD2      TYR  31   2.594  10.385   8.502
  191    HD2  TYR  31           HD1      TYR  31   2.277   9.746   4.236
  192    HE1  TYR  31           HE2      TYR  31   0.367  11.498   8.489
  193    HE2  TYR  31           HE1      TYR  31   0.054  10.891   4.249
  194    HH   TYR  31           HH       TYR  31  -1.490  11.910   7.282
  195    H    TYR  32           H        TYR  32   4.815   6.577   4.792
  196    HA   TYR  32           HA       TYR  32   2.335   6.335   3.213
  197   1HB   TYR  32          2HB       TYR  32   4.375   7.511   2.431
  198   2HB   TYR  32          1HB       TYR  32   5.306   6.031   2.555
  199    HD1  TYR  32           HD1      TYR  32   2.347   7.560   0.851
  200    HD2  TYR  32           HD2      TYR  32   5.499   4.626   0.654
  201    HE1  TYR  32           HE1      TYR  32   1.872   7.191  -1.598
  202    HE2  TYR  32           HE2      TYR  32   5.140   4.439  -1.830
  203    HH   TYR  32           HH       TYR  32   3.849   5.149  -3.635
  204    H    SER  33           H        SER  33   2.017   4.387   1.785
  205    HA   SER  33           HA       SER  33   3.526   2.042   2.357
  206   1HB   SER  33          1HB       SER  33   1.987   1.863   4.283
  207   2HB   SER  33          2HB       SER  33   0.597   1.887   3.177
  208    HG   SER  33           HG       SER  33   2.670  -0.076   3.191
  209    H    GLN  34           H        GLN  34   3.683   0.717   0.603
  210    HA   GLN  34           HA       GLN  34   1.820   1.146  -1.708
  211   1HB   GLN  34          1HB       GLN  34   3.732   2.669  -1.870
  212   2HB   GLN  34          2HB       GLN  34   4.850   1.293  -1.918
  213   1HG   GLN  34          1HG       GLN  34   3.801   0.484  -4.007
  214   2HG   GLN  34          2HG       GLN  34   2.584   1.758  -3.927
  215   1HE2  GLN  34          2HE2      GLN  34   5.511   2.631  -6.215
  216   2HE2  GLN  34          1HE2      GLN  34   4.899   1.001  -5.909
  217    H    CYS  35           H        CYS  35   1.595  -0.446  -3.202
  218    HA   CYS  35           HA       CYS  35   2.354  -3.213  -2.424
  219   1HB   CYS  35          1HB       CYS  35   0.014  -2.425  -2.888
  220   2HB   CYS  35          2HB       CYS  35   0.485  -2.130  -4.555
  221    H    LEU  36           H        LEU  36   4.010  -4.307  -3.489
  222    HA   LEU  36           HA       LEU  36   4.996  -3.355  -6.163
  223   1HB   LEU  36          1HB       LEU  36   6.655  -4.207  -3.756
  224   2HB   LEU  36          2HB       LEU  36   7.262  -3.991  -5.383
  225    HG   LEU  36           HG       LEU  36   7.928  -2.108  -4.234
  226   1HD1  LEU  36          2HD1      LEU  36   7.011  -1.585  -6.491
  227   2HD1  LEU  36          3HD1      LEU  36   5.470  -1.136  -5.740
  228   3HD1  LEU  36          1HD1      LEU  36   6.930  -0.215  -5.363
  229   1HD2  LEU  36          1HD2      LEU  36   6.380  -2.272  -2.295
  230   2HD2  LEU  36          2HD2      LEU  36   6.621  -0.619  -2.893
  231   3HD2  LEU  36          3HD2      LEU  36   5.128  -1.477  -3.262
   
  No H/Q in entry =         231
  Start of MODEL    8
    1   1H    THR   1          1H        THR   1   0.808  -7.314 -10.603
    2   2H    THR   1          2H        THR   1   0.149  -7.732  -9.197
    3   3H    THR   1          3H        THR   1   0.168  -8.838 -10.410
    4    HA   THR   1           HA       THR   1  -1.335  -7.420 -11.736
    5    HB   THR   1           HB       THR   1  -2.389  -9.132 -10.417
    6    HG1  THR   1           HG1      THR   1  -4.354  -7.880  -9.799
    7   1HG2  THR   1          3HG2      THR   1  -2.347  -7.183  -8.060
    8   2HG2  THR   1          1HG2      THR   1  -3.212  -8.734  -8.120
    9   3HG2  THR   1          2HG2      THR   1  -1.458  -8.710  -8.174
   10    H    GLN   2           H        GLN   2  -3.318  -5.719  -9.909
   11    HA   GLN   2           HA       GLN   2  -1.882  -3.208  -9.445
   12   1HB   GLN   2          1HB       GLN   2  -4.433  -4.390  -8.280
   13   2HB   GLN   2          2HB       GLN   2  -3.663  -2.959  -7.596
   14   1HG   GLN   2          1HG       GLN   2  -5.406  -2.284  -9.133
   15   2HG   GLN   2          2HG       GLN   2  -3.803  -1.722  -9.637
   16   1HE2  GLN   2          2HE2      GLN   2  -4.772  -2.873 -12.844
   17   2HE2  GLN   2          1HE2      GLN   2  -4.410  -1.459 -11.854
   18    H    SER   3           H        SER   3   0.090  -4.138  -8.861
   19    HA   SER   3           HA       SER   3   0.426  -4.941  -5.983
   20   1HB   SER   3          1HB       SER   3   2.146  -5.894  -8.311
   21   2HB   SER   3          2HB       SER   3   2.245  -6.379  -6.609
   22    HG   SER   3           HG       SER   3   0.245  -7.413  -6.846
   23    H    HIS   4           H        HIS   4   2.813  -4.032  -8.585
   24    HA   HIS   4           HA       HIS   4   4.218  -2.079  -7.175
   25   1HB   HIS   4          1HB       HIS   4   3.678  -1.964 -10.160
   26   2HB   HIS   4          2HB       HIS   4   5.067  -1.349  -9.269
   27    HD2  HIS   4           HD2      HIS   4   7.164  -3.101  -9.142
   28    HE1  HIS   4           HE1      HIS   4   5.101  -6.480 -10.644
   29    HE2  HIS   4           HE2      HIS   4   7.389  -5.582  -9.993
   30    H    ALA   5           H        ALA   5   1.727  -1.327  -9.652
   31    HA   ALA   5           HA       ALA   5   1.163   1.334  -8.473
   32   1HB   ALA   5          2HB       ALA   5   1.379   1.072 -10.905
   33   2HB   ALA   5          3HB       ALA   5   0.012  -0.062 -10.916
   34   3HB   ALA   5          1HB       ALA   5  -0.236   1.633 -10.451
   35    H    GLY   6           H        GLY   6   0.587  -0.059  -6.446
   36   1HA   GLY   6          1HA       GLY   6  -2.333   0.163  -6.109
   37   2HA   GLY   6          2HA       GLY   6  -1.683  -1.469  -5.898
   38    H    GLN   7           H        GLN   7  -2.809   0.850  -4.017
   39    HA   GLN   7           HA       GLN   7  -0.653   0.925  -1.970
   40   1HB   GLN   7          1HB       GLN   7  -1.924   2.988  -2.520
   41   2HB   GLN   7          2HB       GLN   7  -3.409   2.206  -1.969
   42   1HG   GLN   7          2HG       GLN   7  -2.452   1.959   0.307
   43   2HG   GLN   7          1HG       GLN   7  -0.911   2.609  -0.271
   44   1HE2  GLN   7          2HE2      GLN   7  -2.436   5.425   1.414
   45   2HE2  GLN   7          1HE2      GLN   7  -1.539   3.952   1.813
   46    H    CYS   8           H        CYS   8  -0.808  -0.179   0.044
   47    HA   CYS   8           HA       CYS   8  -2.992  -2.241   0.260
   48   1HB   CYS   8          1HB       CYS   8  -1.703  -3.294   1.950
   49   2HB   CYS   8          2HB       CYS   8  -0.755  -3.073   0.488
   50    H    GLY   9           H        GLY   9  -1.503   0.213   2.350
   51   1HA   GLY   9          1HA       GLY   9  -3.702   1.521   3.403
   52   2HA   GLY   9          2HA       GLY   9  -3.588   0.069   4.404
   53    H    GLY  10           H        GLY  10  -2.378   3.228   3.963
   54   1HA   GLY  10          1HA       GLY  10   0.268   2.719   5.213
   55   2HA   GLY  10          2HA       GLY  10  -0.279   4.198   4.412
   56    H    ILE  11           H        ILE  11   1.110   4.702   6.570
   57    HA   ILE  11           HA       ILE  11  -0.237   4.957   9.068
   58    HB   ILE  11           HB       ILE  11   1.894   6.753   7.883
   59   1HG1  ILE  11          2HG1      ILE  11   2.069   4.378   9.804
   60   2HG1  ILE  11          1HG1      ILE  11   2.615   4.411   8.124
   61   1HG2  ILE  11          2HG2      ILE  11   0.600   7.875   9.762
   62   2HG2  ILE  11          3HG2      ILE  11   1.025   6.511  10.803
   63   3HG2  ILE  11          1HG2      ILE  11   2.269   7.592  10.148
   64   1HD1  ILE  11          2HD1      ILE  11   4.189   6.305   8.754
   65   2HD1  ILE  11          3HD1      ILE  11   3.774   5.992  10.454
   66   3HD1  ILE  11          1HD1      ILE  11   4.564   4.737   9.494
   67    H    GLY  12           H        GLY  12  -2.388   5.485   8.640
   68   1HA   GLY  12          1HA       GLY  12  -3.812   7.497   9.228
   69   2HA   GLY  12          2HA       GLY  12  -2.988   8.369   7.962
   70    H    TYR  13           H        TYR  13  -3.138   5.688   6.303
   71    HA   TYR  13           HA       TYR  13  -5.628   6.639   4.943
   72   1HB   TYR  13          1HB       TYR  13  -3.222   7.007   4.065
   73   2HB   TYR  13          2HB       TYR  13  -3.277   5.330   3.565
   74    HD1  TYR  13           HD2      TYR  13  -6.291   5.301   2.602
   75    HD2  TYR  13           HD1      TYR  13  -3.019   8.083   1.992
   76    HE1  TYR  13           HE2      TYR  13  -7.422   6.219   0.610
   77    HE2  TYR  13           HE1      TYR  13  -4.156   8.933  -0.050
   78    HH   TYR  13           HH       TYR  13  -7.259   7.615  -1.169
   79    H    SER  14           H        SER  14  -6.672   5.093   6.463
   80    HA   SER  14           HA       SER  14  -6.478   2.221   5.915
   81   1HB   SER  14          2HB       SER  14  -6.833   3.008   8.195
   82   2HB   SER  14          1HB       SER  14  -8.383   3.738   7.748
   83    HG   SER  14           HG       SER  14  -8.240   1.123   6.953
   84    H    GLY  15           H        GLY  15  -8.719   4.736   4.802
   85   1HA   GLY  15          1HA       GLY  15 -10.903   2.997   4.213
   86   2HA   GLY  15          2HA       GLY  15 -10.676   4.626   3.560
   87    HA   PRO  16           HA       PRO  16 -10.879   1.248   0.235
   88   1HB   PRO  16          1HB       PRO  16 -12.455   3.559  -0.930
   89   2HB   PRO  16          2HB       PRO  16 -12.689   1.809  -1.182
   90   1HG   PRO  16          2HG       PRO  16 -14.220   3.072   0.641
   91   2HG   PRO  16          1HG       PRO  16 -13.438   1.536   1.105
   92   1HD   PRO  16          1HD       PRO  16 -12.511   4.366   1.710
   93   2HD   PRO  16          2HD       PRO  16 -12.662   2.973   2.809
   94    H    THR  17           H        THR  17  -8.496   1.793   0.220
   95    HA   THR  17           HA       THR  17  -7.772   2.792  -2.527
   96    HB   THR  17           HB       THR  17  -7.050   4.280  -0.635
   97    HG1  THR  17           HG1      THR  17  -4.813   4.320  -1.459
   98   1HG2  THR  17          3HG2      THR  17  -6.405   2.509   1.027
   99   2HG2  THR  17          1HG2      THR  17  -5.042   2.054  -0.012
  100   3HG2  THR  17          2HG2      THR  17  -5.115   3.668   0.716
  101    H    VAL  18           H        VAL  18  -8.236   0.010  -1.053
  102    HA   VAL  18           HA       VAL  18  -5.704  -1.171  -0.835
  103    HB   VAL  18           HB       VAL  18  -7.604  -1.752   0.532
  104   1HG1  VAL  18          3HG2      VAL  18  -9.408  -1.839  -1.182
  105   2HG1  VAL  18          1HG2      VAL  18  -8.685  -3.316  -1.854
  106   3HG1  VAL  18          2HG2      VAL  18  -9.341  -3.315  -0.209
  107   1HG2  VAL  18          2HG1      VAL  18  -5.642  -3.270   0.365
  108   2HG2  VAL  18          3HG1      VAL  18  -7.142  -4.119   0.754
  109   3HG2  VAL  18          1HG1      VAL  18  -6.488  -4.201  -0.889
  110    H    CYS  19           H        CYS  19  -4.455  -2.387  -2.024
  111    HA   CYS  19           HA       CYS  19  -4.652  -2.832  -4.782
  112   1HB   CYS  19          1HB       CYS  19  -2.609  -4.175  -4.443
  113   2HB   CYS  19          2HB       CYS  19  -2.572  -2.685  -3.527
  114    H    ALA  20           H        ALA  20  -4.057  -5.055  -5.741
  115    HA   ALA  20           HA       ALA  20  -6.219  -7.054  -5.143
  116   1HB   ALA  20          2HB       ALA  20  -6.266  -6.139  -7.408
  117   2HB   ALA  20          3HB       ALA  20  -4.578  -6.627  -7.668
  118   3HB   ALA  20          1HB       ALA  20  -5.842  -7.851  -7.448
  119    H    SER  21           H        SER  21  -5.320  -9.334  -6.053
  120    HA   SER  21           HA       SER  21  -4.033 -10.693  -4.175
  121   1HB   SER  21          1HB       SER  21  -5.006 -11.706  -6.181
  122   2HB   SER  21          2HB       SER  21  -3.596 -11.220  -7.137
  123    HG   SER  21           HG       SER  21  -2.317 -12.566  -5.742
  124    H    GLY  22           H        GLY  22  -2.260 -10.195  -3.027
  125   1HA   GLY  22          2HA       GLY  22   0.434 -10.452  -4.119
  126   2HA   GLY  22          1HA       GLY  22   0.034  -8.788  -3.670
  127    H    THR  23           H        THR  23  -1.354  -9.070  -1.360
  128    HA   THR  23           HA       THR  23  -1.278  -9.198   0.818
  129    HB   THR  23           HB       THR  23  -1.690 -11.608   0.440
  130    HG1  THR  23           HG1      THR  23  -0.461 -10.611   2.781
  131   1HG2  THR  23          3HG2      THR  23   1.250 -11.941   1.237
  132   2HG2  THR  23          1HG2      THR  23   0.010 -13.199   1.348
  133   3HG2  THR  23          2HG2      THR  23   0.454 -12.560  -0.228
  134    H    THR  24           H        THR  24   2.032  -9.699  -0.403
  135    HA   THR  24           HA       THR  24   3.287  -8.499   1.951
  136    HB   THR  24           HB       THR  24   5.113  -7.949   0.200
  137    HG1  THR  24           HG1      THR  24   4.717  -8.420  -1.764
  138   1HG2  THR  24          3HG2      THR  24   4.319 -10.840   0.648
  139   2HG2  THR  24          1HG2      THR  24   5.859 -10.255  -0.042
  140   3HG2  THR  24          2HG2      THR  24   5.420  -9.829   1.622
  141    H    CYS  25           H        CYS  25   4.403  -6.378   1.778
  142    HA   CYS  25           HA       CYS  25   3.539  -4.344   0.027
  143   1HB   CYS  25          1HB       CYS  25   1.463  -4.592   1.538
  144   2HB   CYS  25          2HB       CYS  25   2.462  -3.983   2.858
  145    H    GLN  26           H        GLN  26   4.894  -2.561   0.095
  146    HA   GLN  26           HA       GLN  26   6.783  -2.228   2.408
  147   1HB   GLN  26          1HB       GLN  26   8.670  -2.131   1.073
  148   2HB   GLN  26          2HB       GLN  26   7.766  -3.479   0.417
  149   1HG   GLN  26          2HG       GLN  26   8.282  -2.419  -1.576
  150   2HG   GLN  26          1HG       GLN  26   6.768  -1.586  -1.232
  151   1HE2  GLN  26          1HE2      GLN  26  10.257   0.498  -0.570
  152   2HE2  GLN  26          2HE2      GLN  26  10.263  -1.238  -0.205
  153    H    VAL  27           H        VAL  27   8.208  -0.090   1.797
  154    HA   VAL  27           HA       VAL  27   6.177   2.120   1.876
  155    HB   VAL  27           HB       VAL  27   6.720   1.561   4.068
  156   1HG1  VAL  27          1HG2      VAL  27   9.683   1.638   3.372
  157   2HG1  VAL  27          2HG2      VAL  27   9.027   1.613   5.011
  158   3HG1  VAL  27          3HG2      VAL  27   8.725   0.255   3.931
  159   1HG2  VAL  27          2HG1      VAL  27   6.656   3.997   3.523
  160   2HG2  VAL  27          3HG1      VAL  27   7.617   3.610   4.960
  161   3HG2  VAL  27          1HG1      VAL  27   8.435   3.990   3.436
  162    H    LEU  28           H        LEU  28   6.404   3.459   0.192
  163    HA   LEU  28           HA       LEU  28   9.028   4.296  -0.911
  164   1HB   LEU  28          1HB       LEU  28   6.167   5.286  -1.400
  165   2HB   LEU  28          2HB       LEU  28   7.613   6.003  -2.100
  166    HG   LEU  28           HG       LEU  28   8.156   3.670  -3.065
  167   1HD1  LEU  28          2HD1      LEU  28   6.355   2.422  -1.740
  168   2HD1  LEU  28          3HD1      LEU  28   5.155   3.340  -2.658
  169   3HD1  LEU  28          1HD1      LEU  28   6.267   2.217  -3.482
  170   1HD2  LEU  28          2HD2      LEU  28   5.739   5.260  -4.053
  171   2HD2  LEU  28          3HD2      LEU  28   7.437   5.622  -4.420
  172   3HD2  LEU  28          1HD2      LEU  28   6.699   4.130  -5.029
  173    H    ASN  29           H        ASN  29   6.339   5.942   0.710
  174    HA   ASN  29           HA       ASN  29   8.207   7.457   2.443
  175   1HB   ASN  29          1HB       ASN  29   6.887   9.502   2.185
  176   2HB   ASN  29          2HB       ASN  29   7.501   8.970   0.624
  177   1HD2  ASN  29          1HD2      ASN  29   3.575   9.453   0.935
  178   2HD2  ASN  29          2HD2      ASN  29   4.700  10.156   2.102
  179    HA   PRO  30           HA       PRO  30   6.069   5.524   5.650
  180   1HB   PRO  30          2HB       PRO  30   5.727   7.624   7.566
  181   2HB   PRO  30          1HB       PRO  30   7.100   6.513   7.368
  182   1HG   PRO  30          2HG       PRO  30   6.776   9.301   6.279
  183   2HG   PRO  30          1HG       PRO  30   8.241   8.533   6.943
  184   1HD   PRO  30          2HD       PRO  30   7.927   8.792   4.290
  185   2HD   PRO  30          1HD       PRO  30   8.588   7.269   4.946
  186    H    TYR  31           H        TYR  31   4.403   8.498   4.697
  187    HA   TYR  31           HA       TYR  31   1.792   7.613   5.671
  188   1HB   TYR  31          1HB       TYR  31   2.652  10.039   4.074
  189   2HB   TYR  31          2HB       TYR  31   1.053   9.776   4.748
  190    HD1  TYR  31           HD2      TYR  31   0.643   9.885   7.203
  191    HD2  TYR  31           HD1      TYR  31   4.551  10.707   5.558
  192    HE1  TYR  31           HE2      TYR  31   1.476  10.511   9.468
  193    HE2  TYR  31           HE1      TYR  31   5.345  11.393   7.815
  194    HH   TYR  31           HH       TYR  31   4.827  11.582  10.012
  195    H    TYR  32           H        TYR  32   3.385   6.429   3.034
  196    HA   TYR  32           HA       TYR  32   0.868   5.480   1.792
  197   1HB   TYR  32          2HB       TYR  32   1.790   7.567   0.559
  198   2HB   TYR  32          1HB       TYR  32   3.106   6.518   0.068
  199    HD1  TYR  32           HD2      TYR  32   0.820   4.054  -0.194
  200    HD2  TYR  32           HD1      TYR  32   1.344   7.979  -1.889
  201    HE1  TYR  32           HE2      TYR  32   0.721   3.072  -2.460
  202    HE2  TYR  32           HE1      TYR  32   1.090   7.002  -4.173
  203    HH   TYR  32           HH       TYR  32   0.723   3.559  -4.757
  204    H    SER  33           H        SER  33   1.327   3.384   2.696
  205    HA   SER  33           HA       SER  33   3.732   1.937   1.805
  206   1HB   SER  33          1HB       SER  33   2.839   1.612   4.055
  207   2HB   SER  33          2HB       SER  33   1.357   0.905   3.378
  208    HG   SER  33           HG       SER  33   3.826  -0.174   2.542
  209    H    GLN  34           H        GLN  34   3.914   0.732   0.010
  210    HA   GLN  34           HA       GLN  34   1.599   0.452  -1.864
  211   1HB   GLN  34          1HB       GLN  34   3.324   2.109  -2.402
  212   2HB   GLN  34          2HB       GLN  34   4.546   0.819  -2.450
  213   1HG   GLN  34          1HG       GLN  34   3.284  -0.226  -4.358
  214   2HG   GLN  34          2HG       GLN  34   2.114   1.080  -4.292
  215   1HE2  GLN  34          2HE2      GLN  34   4.357   3.373  -5.898
  216   2HE2  GLN  34          1HE2      GLN  34   2.902   3.358  -4.904
  217    H    CYS  35           H        CYS  35   1.290  -1.427  -3.029
  218    HA   CYS  35           HA       CYS  35   1.699  -3.722  -1.347
  219   1HB   CYS  35          1HB       CYS  35  -0.401  -2.863  -2.322
  220   2HB   CYS  35          2HB       CYS  35   0.126  -3.420  -3.910
  221    H    LEU  36           H        LEU  36   4.131  -3.691  -1.916
  222    HA   LEU  36           HA       LEU  36   4.695  -5.913  -3.835
  223   1HB   LEU  36          1HB       LEU  36   6.614  -3.749  -2.883
  224   2HB   LEU  36          2HB       LEU  36   6.996  -5.119  -3.899
  225    HG   LEU  36           HG       LEU  36   5.119  -4.124  -5.502
  226   1HD1  LEU  36          1HD2      LEU  36   5.986  -1.720  -3.810
  227   2HD1  LEU  36          2HD2      LEU  36   5.333  -1.548  -5.430
  228   3HD1  LEU  36          3HD2      LEU  36   4.332  -2.264  -4.164
  229   1HD2  LEU  36          2HD1      LEU  36   7.574  -4.427  -5.982
  230   2HD2  LEU  36          3HD1      LEU  36   6.855  -3.007  -6.751
  231   3HD2  LEU  36          1HD1      LEU  36   7.861  -2.811  -5.301
   
  No H/Q in entry =         231
  Start of MODEL    9
    1   1H    THR   1          2H        THR   1  -0.802 -12.976 -10.372
    2   2H    THR   1          3H        THR   1  -1.216 -12.731  -8.818
    3   3H    THR   1          1H        THR   1  -2.165 -13.707  -9.761
    4    HA   THR   1           HA       THR   1  -2.848 -11.902 -11.138
    5    HB   THR   1           HB       THR   1  -4.072 -12.256  -8.981
    6    HG1  THR   1           HG1      THR   1  -5.074 -10.183  -9.059
    7   1HG2  THR   1          2HG2      THR   1  -2.307 -11.549  -7.385
    8   2HG2  THR   1          3HG2      THR   1  -2.436  -9.874  -7.966
    9   3HG2  THR   1          1HG2      THR   1  -3.810 -10.653  -7.191
   10    H    GLN   2           H        GLN   2  -3.001  -9.134 -10.489
   11    HA   GLN   2           HA       GLN   2  -0.181  -8.163 -10.932
   12   1HB   GLN   2          1HB       GLN   2  -2.840  -7.299 -12.136
   13   2HB   GLN   2          2HB       GLN   2  -1.409  -6.283 -12.144
   14   1HG   GLN   2          1HG       GLN   2  -1.439  -7.349 -14.248
   15   2HG   GLN   2          2HG       GLN   2  -0.108  -8.043 -13.320
   16   1HE2  GLN   2          2HE2      GLN   2  -1.439 -10.973 -14.913
   17   2HE2  GLN   2          1HE2      GLN   2  -0.265  -9.679 -15.143
   18    H    SER   3           H        SER   3   0.236  -5.865 -10.241
   19    HA   SER   3           HA       SER   3  -0.588  -5.470  -7.460
   20   1HB   SER   3          1HB       SER   3   1.213  -3.795  -7.503
   21   2HB   SER   3          2HB       SER   3   1.747  -5.338  -8.140
   22    HG   SER   3           HG       SER   3   2.336  -3.508  -9.471
   23    H    HIS   4           H        HIS   4  -2.840  -5.040  -9.138
   24    HA   HIS   4           HA       HIS   4  -3.613  -2.990 -10.422
   25   1HB   HIS   4          1HB       HIS   4  -5.023  -3.995  -7.936
   26   2HB   HIS   4          2HB       HIS   4  -5.797  -2.881  -9.059
   27    HD2  HIS   4           HD2      HIS   4  -7.457  -4.243 -10.633
   28    HE1  HIS   4           HE1      HIS   4  -5.137  -7.755 -11.095
   29    HE2  HIS   4           HE2      HIS   4  -7.337  -6.637 -11.720
   30    H    ALA   5           H        ALA   5  -3.258  -2.281  -6.927
   31    HA   ALA   5           HA       ALA   5  -3.470   0.666  -7.486
   32   1HB   ALA   5          2HB       ALA   5  -5.491  -0.216  -6.412
   33   2HB   ALA   5          3HB       ALA   5  -4.511  -0.820  -5.058
   34   3HB   ALA   5          1HB       ALA   5  -4.607   0.924  -5.379
   35    H    GLY   6           H        GLY   6  -1.366   1.174  -7.555
   36   1HA   GLY   6          1HA       GLY   6   0.851   0.183  -6.385
   37   2HA   GLY   6          2HA       GLY   6   0.686   1.896  -6.747
   38    H    GLN   7           H        GLN   7  -0.806   3.022  -4.813
   39    HA   GLN   7           HA       GLN   7   0.761   2.660  -2.373
   40   1HB   GLN   7          1HB       GLN   7   0.090   4.877  -3.302
   41   2HB   GLN   7          2HB       GLN   7  -1.573   4.532  -2.797
   42   1HG   GLN   7          1HG       GLN   7  -0.685   4.211  -0.432
   43   2HG   GLN   7          2HG       GLN   7   0.921   4.672  -1.025
   44   1HE2  GLN   7          2HE2      GLN   7  -0.559   7.669   0.482
   45   2HE2  GLN   7          1HE2      GLN   7  -0.033   6.090   1.080
   46    H    CYS   8           H        CYS   8   0.280   1.091  -0.930
   47    HA   CYS   8           HA       CYS   8  -1.952  -0.650  -1.122
   48   1HB   CYS   8          2HB       CYS   8   0.270  -1.333  -0.289
   49   2HB   CYS   8          1HB       CYS   8   0.048  -0.302   1.121
   50    H    GLY   9           H        GLY   9  -1.284   1.622   1.560
   51   1HA   GLY   9          1HA       GLY   9  -3.813   2.651   2.109
   52   2HA   GLY   9          2HA       GLY   9  -3.823   1.088   2.928
   53    H    GLY  10           H        GLY  10  -1.533   3.817   2.603
   54   1HA   GLY  10          1HA       GLY  10  -0.080   3.189   4.997
   55   2HA   GLY  10          2HA       GLY  10   0.089   4.637   4.002
   56    H    ILE  11           H        ILE  11   0.594   4.949   6.592
   57    HA   ILE  11           HA       ILE  11  -1.548   5.788   8.294
   58    HB   ILE  11           HB       ILE  11   1.321   6.741   8.176
   59   1HG1  ILE  11          2HG1      ILE  11   0.016   4.569   9.877
   60   2HG1  ILE  11          1HG1      ILE  11   1.076   4.285   8.493
   61   1HG2  ILE  11          2HG2      ILE  11  -0.203   8.297   9.477
   62   2HG2  ILE  11          3HG2      ILE  11  -0.622   6.929  10.518
   63   3HG2  ILE  11          1HG2      ILE  11   1.044   7.535  10.450
   64   1HD1  ILE  11          2HD1      ILE  11   2.891   5.594   9.723
   65   2HD1  ILE  11          3HD1      ILE  11   1.852   5.477  11.162
   66   3HD1  ILE  11          1HD1      ILE  11   2.452   4.007  10.378
   67    H    GLY  12           H        GLY  12  -3.046   7.282   7.826
   68   1HA   GLY  12          2HA       GLY  12  -3.723   9.606   7.480
   69   2HA   GLY  12          1HA       GLY  12  -2.368   9.851   6.387
   70    H    TYR  13           H        TYR  13  -2.359   8.066   4.560
   71    HA   TYR  13           HA       TYR  13  -4.880   7.976   3.041
   72   1HB   TYR  13          1HB       TYR  13  -2.580   8.270   2.082
   73   2HB   TYR  13          2HB       TYR  13  -2.192   6.638   2.584
   74    HD1  TYR  13           HD1      TYR  13  -4.222   8.742   0.251
   75    HD2  TYR  13           HD2      TYR  13  -2.899   4.737   1.216
   76    HE1  TYR  13           HE1      TYR  13  -4.788   7.972  -2.057
   77    HE2  TYR  13           HE2      TYR  13  -3.482   4.002  -1.069
   78    HH   TYR  13           HH       TYR  13  -4.232   4.596  -3.061
   79    H    SER  14           H        SER  14  -5.566   6.945   5.366
   80    HA   SER  14           HA       SER  14  -4.964   4.063   5.617
   81   1HB   SER  14          1HB       SER  14  -6.314   5.982   7.556
   82   2HB   SER  14          2HB       SER  14  -5.748   4.342   7.905
   83    HG   SER  14           HG       SER  14  -3.630   5.305   7.016
   84    H    GLY  15           H        GLY  15  -6.437   3.560   3.679
   85   1HA   GLY  15          1HA       GLY  15  -8.762   2.267   4.797
   86   2HA   GLY  15          2HA       GLY  15  -9.255   3.624   3.768
   87    HA   PRO  16           HA       PRO  16  -9.056  -0.471   1.436
   88   1HB   PRO  16          2HB       PRO  16 -11.796   0.442   0.570
   89   2HB   PRO  16          1HB       PRO  16 -11.229  -1.188   1.006
   90   1HG   PRO  16          2HG       PRO  16 -12.657   0.251   2.789
   91   2HG   PRO  16          1HG       PRO  16 -11.197  -0.619   3.343
   92   1HD   PRO  16          2HD       PRO  16 -11.411   2.315   2.567
   93   2HD   PRO  16          1HD       PRO  16 -10.760   1.591   4.060
   94    H    THR  17           H        THR  17  -7.379   0.930   0.472
   95    HA   THR  17           HA       THR  17  -7.907   1.730  -2.377
   96    HB   THR  17           HB       THR  17  -5.825   3.084  -2.137
   97    HG1  THR  17           HG1      THR  17  -5.950   2.118   0.532
   98   1HG2  THR  17          2HG2      THR  17  -8.011   4.144  -1.759
   99   2HG2  THR  17          3HG2      THR  17  -7.945   3.714  -0.037
  100   3HG2  THR  17          1HG2      THR  17  -6.756   4.840  -0.720
  101    H    VAL  18           H        VAL  18  -7.253  -0.972  -1.129
  102    HA   VAL  18           HA       VAL  18  -4.503  -1.517  -1.642
  103    HB   VAL  18           HB       VAL  18  -5.832  -2.319   0.266
  104   1HG1  VAL  18          2HG1      VAL  18  -7.962  -2.899  -0.900
  105   2HG1  VAL  18          3HG1      VAL  18  -7.150  -4.272  -1.675
  106   3HG1  VAL  18          1HG1      VAL  18  -7.349  -4.229   0.085
  107   1HG2  VAL  18          3HG2      VAL  18  -3.718  -3.443  -0.324
  108   2HG2  VAL  18          1HG2      VAL  18  -4.881  -4.523   0.459
  109   3HG2  VAL  18          2HG2      VAL  18  -4.625  -4.632  -1.288
  110    H    CYS  19           H        CYS  19  -3.502  -3.032  -2.941
  111    HA   CYS  19           HA       CYS  19  -4.561  -3.595  -5.574
  112   1HB   CYS  19          1HB       CYS  19  -2.428  -4.758  -5.908
  113   2HB   CYS  19          2HB       CYS  19  -2.168  -3.209  -5.109
  114    H    ALA  20           H        ALA  20  -4.238  -5.990  -6.426
  115    HA   ALA  20           HA       ALA  20  -6.262  -7.644  -5.185
  116   1HB   ALA  20          2HB       ALA  20  -5.904  -7.419  -7.624
  117   2HB   ALA  20          3HB       ALA  20  -4.355  -8.268  -7.475
  118   3HB   ALA  20          1HB       ALA  20  -5.885  -9.103  -7.107
  119    H    SER  21           H        SER  21  -5.175 -10.271  -5.671
  120    HA   SER  21           HA       SER  21  -4.231 -10.893  -3.050
  121   1HB   SER  21          1HB       SER  21  -4.394 -13.166  -3.703
  122   2HB   SER  21          2HB       SER  21  -5.736 -12.320  -4.474
  123    HG   SER  21           HG       SER  21  -3.241 -13.010  -5.659
  124    H    GLY  22           H        GLY  22  -2.345  -9.370  -3.312
  125   1HA   GLY  22          2HA       GLY  22   0.214 -10.835  -4.002
  126   2HA   GLY  22          1HA       GLY  22  -0.043  -9.092  -4.193
  127    H    THR  23           H        THR  23  -1.225  -8.309  -1.988
  128    HA   THR  23           HA       THR  23  -0.794  -7.397  -0.010
  129    HB   THR  23           HB       THR  23  -1.908  -9.515   0.642
  130    HG1  THR  23           HG1      THR  23  -0.075  -8.265   2.382
  131   1HG2  THR  23          1HG2      THR  23   0.927 -10.430   1.372
  132   2HG2  THR  23          2HG2      THR  23  -0.560 -11.141   2.003
  133   3HG2  THR  23          3HG2      THR  23  -0.207 -11.242   0.273
  134    H    THR  24           H        THR  24   1.701  -7.552  -1.646
  135    HA   THR  24           HA       THR  24   3.948  -7.722   0.236
  136    HB   THR  24           HB       THR  24   5.230  -6.864  -1.732
  137    HG1  THR  24           HG1      THR  24   3.989  -6.790  -3.726
  138   1HG2  THR  24          2HG2      THR  24   4.755  -9.327  -1.449
  139   2HG2  THR  24          3HG2      THR  24   3.341  -9.144  -2.505
  140   3HG2  THR  24          1HG2      THR  24   4.967  -8.816  -3.129
  141    H    CYS  25           H        CYS  25   2.219  -6.188   1.461
  142    HA   CYS  25           HA       CYS  25   1.990  -3.438   0.700
  143   1HB   CYS  25          1HB       CYS  25   0.269  -4.859   1.828
  144   2HB   CYS  25          2HB       CYS  25   1.254  -4.821   3.293
  145    H    GLN  26           H        GLN  26   4.280  -3.047   0.540
  146    HA   GLN  26           HA       GLN  26   5.973  -2.793   2.903
  147   1HB   GLN  26          1HB       GLN  26   6.307  -2.991   0.017
  148   2HB   GLN  26          2HB       GLN  26   7.080  -1.511   0.496
  149   1HG   GLN  26          2HG       GLN  26   8.594  -3.496   0.490
  150   2HG   GLN  26          1HG       GLN  26   8.545  -2.653   2.035
  151   1HE2  GLN  26          2HE2      GLN  26   6.419  -6.133   2.095
  152   2HE2  GLN  26          1HE2      GLN  26   6.120  -5.010   0.751
  153    H    VAL  27           H        VAL  27   7.466  -0.680   2.787
  154    HA   VAL  27           HA       VAL  27   5.902   1.790   2.587
  155    HB   VAL  27           HB       VAL  27   5.452   0.829   4.897
  156   1HG1  VAL  27          3HG2      VAL  27   7.801   0.012   5.353
  157   2HG1  VAL  27          1HG2      VAL  27   8.318   1.704   5.506
  158   3HG1  VAL  27          2HG2      VAL  27   7.132   1.032   6.634
  159   1HG2  VAL  27          2HG1      VAL  27   5.126   3.231   4.324
  160   2HG2  VAL  27          3HG1      VAL  27   5.594   2.990   6.009
  161   3HG2  VAL  27          1HG1      VAL  27   6.797   3.550   4.828
  162    H    LEU  28           H        LEU  28   7.088   3.620   2.234
  163    HA   LEU  28           HA       LEU  28  10.076   3.383   2.021
  164   1HB   LEU  28          1HB       LEU  28   8.094   5.328   0.788
  165   2HB   LEU  28          2HB       LEU  28   9.825   5.632   0.863
  166    HG   LEU  28           HG       LEU  28  10.358   3.698  -0.459
  167   1HD1  LEU  28          3HD1      LEU  28   7.367   3.083  -0.462
  168   2HD1  LEU  28          1HD1      LEU  28   8.516   2.400  -1.627
  169   3HD1  LEU  28          2HD1      LEU  28   8.699   2.039   0.087
  170   1HD2  LEU  28          3HD2      LEU  28   9.825   5.815  -1.613
  171   2HD2  LEU  28          1HD2      LEU  28   9.358   4.420  -2.600
  172   3HD2  LEU  28          2HD2      LEU  28   8.115   5.337  -1.725
  173    H    ASN  29           H        ASN  29   8.057   6.222   2.807
  174    HA   ASN  29           HA       ASN  29   9.446   6.580   5.420
  175   1HB   ASN  29          1HB       ASN  29   8.466   8.831   5.371
  176   2HB   ASN  29          2HB       ASN  29   9.443   8.514   3.941
  177   1HD2  ASN  29          1HD2      ASN  29   5.665   9.591   3.327
  178   2HD2  ASN  29          2HD2      ASN  29   6.533   9.938   4.819
  179    HA   PRO  30           HA       PRO  30   6.076   4.863   7.807
  180   1HB   PRO  30          2HB       PRO  30   6.138   7.516   9.278
  181   2HB   PRO  30          1HB       PRO  30   5.926   5.876   9.944
  182   1HG   PRO  30          2HG       PRO  30   8.387   7.005   9.980
  183   2HG   PRO  30          1HG       PRO  30   8.202   5.304   9.481
  184   1HD   PRO  30          2HD       PRO  30   8.615   7.729   7.721
  185   2HD   PRO  30          1HD       PRO  30   9.301   6.084   7.582
  186    H    TYR  31           H        TYR  31   5.443   8.316   7.003
  187    HA   TYR  31           HA       TYR  31   2.549   7.975   6.834
  188   1HB   TYR  31          1HB       TYR  31   4.403  10.281   6.184
  189   2HB   TYR  31          2HB       TYR  31   2.656  10.350   6.050
  190    HD1  TYR  31           HD2      TYR  31   1.169  10.062   8.042
  191    HD2  TYR  31           HD1      TYR  31   5.464  10.391   8.431
  192    HE1  TYR  31           HE2      TYR  31   0.926  10.540  10.480
  193    HE2  TYR  31           HE1      TYR  31   5.197  10.884  10.855
  194    HH   TYR  31           HH       TYR  31   3.754  11.153  12.557
  195    H    TYR  32           H        TYR  32   3.285   6.057   5.305
  196    HA   TYR  32           HA       TYR  32   2.202   6.538   2.693
  197   1HB   TYR  32          1HB       TYR  32   4.559   7.440   2.432
  198   2HB   TYR  32          2HB       TYR  32   5.181   5.835   2.752
  199    HD1  TYR  32           HD2      TYR  32   2.658   7.539   0.472
  200    HD2  TYR  32           HD1      TYR  32   5.835   4.645   0.877
  201    HE1  TYR  32           HE2      TYR  32   2.446   6.937  -1.961
  202    HE2  TYR  32           HE1      TYR  32   5.689   4.170  -1.583
  203    HH   TYR  32           HH       TYR  32   4.581   4.548  -3.479
  204    H    SER  33           H        SER  33   2.582   4.347   1.351
  205    HA   SER  33           HA       SER  33   3.607   2.070   2.378
  206   1HB   SER  33          1HB       SER  33   1.968   1.765   4.140
  207   2HB   SER  33          2HB       SER  33   0.631   1.994   2.990
  208    HG   SER  33           HG       SER  33   2.565  -0.120   2.935
  209    H    GLN  34           H        GLN  34   3.705   0.473   0.770
  210    HA   GLN  34           HA       GLN  34   2.200   0.993  -1.753
  211   1HB   GLN  34          1HB       GLN  34   4.433   2.219  -1.587
  212   2HB   GLN  34          2HB       GLN  34   5.218   0.640  -1.714
  213   1HG   GLN  34          1HG       GLN  34   4.065   0.243  -3.888
  214   2HG   GLN  34          2HG       GLN  34   3.225   1.797  -3.734
  215   1HE2  GLN  34          2HE2      GLN  34   6.208   2.176  -5.959
  216   2HE2  GLN  34          1HE2      GLN  34   5.034   0.854  -5.893
  217    H    CYS  35           H        CYS  35   1.803  -0.672  -3.057
  218    HA   CYS  35           HA       CYS  35   2.483  -3.463  -2.270
  219   1HB   CYS  35          1HB       CYS  35   0.136  -2.970  -2.525
  220   2HB   CYS  35          2HB       CYS  35   0.374  -2.299  -4.139
  221    H    LEU  36           H        LEU  36   3.737  -4.750  -3.581
  222    HA   LEU  36           HA       LEU  36   4.798  -3.696  -6.173
  223   1HB   LEU  36          1HB       LEU  36   6.344  -5.185  -4.023
  224   2HB   LEU  36          2HB       LEU  36   6.913  -4.808  -5.639
  225    HG   LEU  36           HG       LEU  36   7.972  -3.338  -4.185
  226   1HD1  LEU  36          2HD1      LEU  36   7.190  -2.285  -6.298
  227   2HD1  LEU  36          3HD1      LEU  36   5.787  -1.630  -5.435
  228   3HD1  LEU  36          1HD1      LEU  36   7.419  -1.124  -4.977
  229   1HD2  LEU  36          3HD2      LEU  36   6.357  -3.544  -2.271
  230   2HD2  LEU  36          1HD2      LEU  36   7.051  -1.930  -2.521
  231   3HD2  LEU  36          2HD2      LEU  36   5.393  -2.254  -3.013
   
  No H/Q in entry =         231
  Start of MODEL   10
    1   1H    THR   1          1H        THR   1  -9.677  -7.528  -8.113
    2   2H    THR   1          2H        THR   1  -8.570  -8.184  -9.144
    3   3H    THR   1          3H        THR   1  -8.695  -8.787  -7.616
    4    HA   THR   1           HA       THR   1  -7.653  -6.859  -6.727
    5    HB   THR   1           HB       THR   1  -5.561  -6.679  -8.272
    6    HG1  THR   1           HG1      THR   1  -5.627  -8.125 -10.035
    7   1HG2  THR   1          2HG2      THR   1  -5.832  -8.401  -6.450
    8   2HG2  THR   1          3HG2      THR   1  -6.508  -9.524  -7.644
    9   3HG2  THR   1          1HG2      THR   1  -4.843  -8.948  -7.815
   10    H    GLN   2           H        GLN   2  -6.501  -4.763  -7.209
   11    HA   GLN   2           HA       GLN   2  -7.979  -3.017  -9.147
   12   1HB   GLN   2          2HB       GLN   2  -8.300  -2.414  -6.779
   13   2HB   GLN   2          1HB       GLN   2  -6.560  -2.329  -6.545
   14   1HG   GLN   2          1HG       GLN   2  -7.519  -0.078  -6.814
   15   2HG   GLN   2          2HG       GLN   2  -6.393  -0.422  -8.123
   16   1HE2  GLN   2          2HE2      GLN   2 -10.359  -0.341  -9.124
   17   2HE2  GLN   2          1HE2      GLN   2  -9.958  -1.061  -7.562
   18    H    SER   3           H        SER   3  -4.730  -3.947  -7.958
   19    HA   SER   3           HA       SER   3  -2.625  -3.592  -8.782
   20   1HB   SER   3          1HB       SER   3  -2.410  -3.984 -11.287
   21   2HB   SER   3          2HB       SER   3  -3.208  -5.226 -10.335
   22    HG   SER   3           HG       SER   3  -4.804  -3.231 -11.509
   23    H    HIS   4           H        HIS   4  -3.622  -1.198  -8.011
   24    HA   HIS   4           HA       HIS   4  -2.936   1.014  -9.670
   25   1HB   HIS   4          1HB       HIS   4  -4.160   1.132  -7.530
   26   2HB   HIS   4          2HB       HIS   4  -2.713   0.606  -6.658
   27    HD2  HIS   4           HD2      HIS   4  -3.382   3.140  -5.361
   28    HE1  HIS   4           HE1      HIS   4  -1.225   5.308  -8.289
   29    HE2  HIS   4           HE2      HIS   4  -2.212   5.419  -5.938
   30    H    ALA   5           H        ALA   5  -0.971   1.813 -10.308
   31    HA   ALA   5           HA       ALA   5   1.307   0.054 -10.283
   32   1HB   ALA   5          3HB       ALA   5   0.958   2.841 -11.433
   33   2HB   ALA   5          1HB       ALA   5   2.323   1.750 -11.756
   34   3HB   ALA   5          2HB       ALA   5   0.692   1.291 -12.261
   35    H    GLY   6           H        GLY   6   1.420   0.117  -7.842
   36   1HA   GLY   6          1HA       GLY   6   3.464   0.050  -6.616
   37   2HA   GLY   6          2HA       GLY   6   3.913   1.660  -7.152
   38    H    GLN   7           H        GLN   7   2.221   3.433  -6.346
   39    HA   GLN   7           HA       GLN   7   2.372   3.448  -3.488
   40   1HB   GLN   7          1HB       GLN   7   2.347   5.412  -5.180
   41   2HB   GLN   7          2HB       GLN   7   0.592   5.321  -5.080
   42   1HG   GLN   7          1HG       GLN   7   2.552   5.750  -2.755
   43   2HG   GLN   7          2HG       GLN   7   1.623   7.011  -3.554
   44   1HE2  GLN   7          2HE2      GLN   7  -0.089   5.150  -0.494
   45   2HE2  GLN   7          1HE2      GLN   7   1.569   4.735  -0.975
   46    H    CYS   8           H        CYS   8   1.039   2.376  -2.037
   47    HA   CYS   8           HA       CYS   8  -1.136   0.800  -2.823
   48   1HB   CYS   8          2HB       CYS   8   0.151   0.458  -0.738
   49   2HB   CYS   8          1HB       CYS   8  -0.625   1.900  -0.065
   50    H    GLY   9           H        GLY   9  -1.405   4.172  -1.836
   51   1HA   GLY   9          2HA       GLY   9  -3.751   4.894  -2.892
   52   2HA   GLY   9          1HA       GLY   9  -4.355   4.058  -1.454
   53    H    GLY  10           H        GLY  10  -2.527   4.837   0.456
   54   1HA   GLY  10          2HA       GLY  10  -1.667   7.352   1.014
   55   2HA   GLY  10          1HA       GLY  10  -3.412   7.619   1.013
   56    H    ILE  11           H        ILE  11  -0.799   6.718   2.991
   57    HA   ILE  11           HA       ILE  11  -1.707   4.712   4.588
   58    HB   ILE  11           HB       ILE  11   0.203   6.958   5.039
   59   1HG1  ILE  11          2HG1      ILE  11   0.345   3.905   5.090
   60   2HG1  ILE  11          1HG1      ILE  11   0.659   4.944   3.688
   61   1HG2  ILE  11          2HG2      ILE  11  -0.753   6.830   7.273
   62   2HG2  ILE  11          3HG2      ILE  11  -0.488   5.082   7.322
   63   3HG2  ILE  11          1HG2      ILE  11   0.880   6.199   7.262
   64   1HD1  ILE  11          3HD1      ILE  11   2.373   4.961   6.208
   65   2HD1  ILE  11          1HD1      ILE  11   2.700   3.996   4.770
   66   3HD1  ILE  11          2HD1      ILE  11   2.702   5.748   4.641
   67    H    GLY  12           H        GLY  12  -2.742   4.297   6.463
   68   1HA   GLY  12          2HA       GLY  12  -5.050   4.702   7.496
   69   2HA   GLY  12          1HA       GLY  12  -5.344   5.744   6.093
   70    H    TYR  13           H        TYR  13  -4.623   4.638   3.945
   71    HA   TYR  13           HA       TYR  13  -5.049   1.750   3.612
   72   1HB   TYR  13          1HB       TYR  13  -3.691   3.852   1.909
   73   2HB   TYR  13          2HB       TYR  13  -3.592   2.151   1.558
   74    HD1  TYR  13           HD1      TYR  13  -6.320   4.667   2.366
   75    HD2  TYR  13           HD2      TYR  13  -5.035   1.342  -0.094
   76    HE1  TYR  13           HE1      TYR  13  -8.497   4.691   1.165
   77    HE2  TYR  13           HE2      TYR  13  -7.200   1.400  -1.288
   78    HH   TYR  13           HH       TYR  13  -9.216   2.359  -1.435
   79    H    SER  14           H        SER  14  -4.077   1.345   5.599
   80    HA   SER  14           HA       SER  14  -1.148   0.648   5.468
   81   1HB   SER  14          1HB       SER  14  -2.668   1.461   7.993
   82   2HB   SER  14          2HB       SER  14  -0.930   1.161   7.828
   83    HG   SER  14           HG       SER  14  -0.673   3.088   6.906
   84    H    GLY  15           H        GLY  15  -4.390  -0.253   6.495
   85   1HA   GLY  15          2HA       GLY  15  -3.627  -2.946   7.492
   86   2HA   GLY  15          1HA       GLY  15  -5.211  -2.179   7.493
   87    HA   PRO  16           HA       PRO  16  -5.049  -5.342   4.075
   88   1HB   PRO  16          1HB       PRO  16  -7.309  -6.739   4.585
   89   2HB   PRO  16          2HB       PRO  16  -5.865  -6.880   5.613
   90   1HG   PRO  16          1HG       PRO  16  -8.268  -5.093   6.095
   91   2HG   PRO  16          2HG       PRO  16  -7.562  -6.275   7.231
   92   1HD   PRO  16          2HD       PRO  16  -6.900  -3.642   7.327
   93   2HD   PRO  16          1HD       PRO  16  -5.664  -4.899   7.621
   94    H    THR  17           H        THR  17  -5.308  -3.042   3.101
   95    HA   THR  17           HA       THR  17  -7.580  -3.267   1.169
   96    HB   THR  17           HB       THR  17  -8.265  -1.515   2.650
   97    HG1  THR  17           HG1      THR  17  -8.106   0.236   0.966
   98   1HG2  THR  17          3HG2      THR  17  -5.664  -0.065   1.973
   99   2HG2  THR  17          1HG2      THR  17  -7.047   0.615   2.851
  100   3HG2  THR  17          2HG2      THR  17  -6.116  -0.715   3.557
  101    H    VAL  18           H        VAL  18  -5.487  -4.540   0.624
  102    HA   VAL  18           HA       VAL  18  -3.424  -3.024  -0.813
  103    HB   VAL  18           HB       VAL  18  -2.949  -4.965   0.677
  104   1HG1  VAL  18          2HG1      VAL  18  -4.936  -6.378  -0.150
  105   2HG1  VAL  18          3HG1      VAL  18  -3.960  -6.743  -1.584
  106   3HG1  VAL  18          1HG1      VAL  18  -3.402  -7.221   0.029
  107   1HG2  VAL  18          3HG2      VAL  18  -1.284  -4.219  -0.982
  108   2HG2  VAL  18          1HG2      VAL  18  -1.219  -5.968  -0.738
  109   3HG2  VAL  18          2HG2      VAL  18  -1.979  -5.316  -2.193
  110    H    CYS  19           H        CYS  19  -2.982  -3.090  -3.015
  111    HA   CYS  19           HA       CYS  19  -5.353  -3.337  -4.661
  112   1HB   CYS  19          1HB       CYS  19  -4.319  -1.966  -6.180
  113   2HB   CYS  19          2HB       CYS  19  -3.619  -1.434  -4.659
  114    H    ALA  20           H        ALA  20  -2.504  -5.386  -4.416
  115    HA   ALA  20           HA       ALA  20  -3.076  -6.683  -7.063
  116   1HB   ALA  20          3HB       ALA  20  -0.403  -6.052  -5.772
  117   2HB   ALA  20          1HB       ALA  20  -0.649  -6.919  -7.300
  118   3HB   ALA  20          2HB       ALA  20  -1.150  -5.232  -7.157
  119    H    SER  21           H        SER  21  -0.540  -8.089  -5.166
  120    HA   SER  21           HA       SER  21  -1.989 -10.165  -3.870
  121   1HB   SER  21          1HB       SER  21  -2.639 -10.797  -6.199
  122   2HB   SER  21          2HB       SER  21  -0.929 -10.976  -6.618
  123    HG   SER  21           HG       SER  21  -0.843 -12.661  -5.032
  124    H    GLY  22           H        GLY  22  -0.584 -10.616  -2.317
  125   1HA   GLY  22          2HA       GLY  22   2.093 -11.351  -2.118
  126   2HA   GLY  22          1HA       GLY  22   2.121  -9.606  -2.463
  127    H    THR  23           H        THR  23   0.405  -8.366  -1.227
  128    HA   THR  23           HA       THR  23  -1.524  -8.372   0.021
  129    HB   THR  23           HB       THR  23  -0.578 -10.701   1.710
  130    HG1  THR  23           HG1      THR  23  -1.480 -11.983   0.227
  131   1HG2  THR  23          3HG2      THR  23  -3.391  -9.664   1.123
  132   2HG2  THR  23          1HG2      THR  23  -2.995 -11.149   1.999
  133   3HG2  THR  23          2HG2      THR  23  -2.571  -9.587   2.700
  134    H    THR  24           H        THR  24   1.420  -7.440   0.715
  135    HA   THR  24           HA       THR  24   0.790  -6.097   3.299
  136    HB   THR  24           HB       THR  24   3.086  -5.591   3.522
  137    HG1  THR  24           HG1      THR  24   3.335  -6.566   0.905
  138   1HG2  THR  24          2HG2      THR  24   2.298  -7.918   4.139
  139   2HG2  THR  24          3HG2      THR  24   2.917  -8.482   2.574
  140   3HG2  THR  24          1HG2      THR  24   4.044  -7.826   3.760
  141    H    CYS  25           H        CYS  25  -0.390  -4.308   2.938
  142    HA   CYS  25           HA       CYS  25   0.268  -2.276   0.877
  143   1HB   CYS  25          1HB       CYS  25  -2.031  -2.569   1.621
  144   2HB   CYS  25          2HB       CYS  25  -1.564  -2.230   3.288
  145    H    GLN  26           H        GLN  26   2.477  -2.327   1.321
  146    HA   GLN  26           HA       GLN  26   3.691  -2.246   3.811
  147   1HB   GLN  26          1HB       GLN  26   4.511  -3.112   1.553
  148   2HB   GLN  26          2HB       GLN  26   4.891  -1.464   1.092
  149   1HG   GLN  26          2HG       GLN  26   6.834  -2.893   1.901
  150   2HG   GLN  26          1HG       GLN  26   6.687  -1.345   2.703
  151   1HE2  GLN  26          2HE2      GLN  26   5.922  -4.778   4.804
  152   2HE2  GLN  26          1HE2      GLN  26   5.942  -4.862   3.033
  153    H    VAL  27           H        VAL  27   5.520  -0.646   4.509
  154    HA   VAL  27           HA       VAL  27   4.867   2.236   3.945
  155    HB   VAL  27           HB       VAL  27   3.828   1.743   5.982
  156   1HG1  VAL  27          3HG2      VAL  27   4.957  -0.283   6.749
  157   2HG1  VAL  27          1HG2      VAL  27   6.435   0.631   7.101
  158   3HG1  VAL  27          2HG2      VAL  27   4.953   0.951   8.010
  159   1HG2  VAL  27          3HG1      VAL  27   5.066   3.910   5.770
  160   2HG2  VAL  27          1HG1      VAL  27   4.837   3.380   7.445
  161   3HG2  VAL  27          2HG1      VAL  27   6.418   3.184   6.667
  162    H    LEU  28           H        LEU  28   6.523   2.748   2.597
  163    HA   LEU  28           HA       LEU  28   9.358   2.066   3.119
  164   1HB   LEU  28          1HB       LEU  28   7.854   3.798   1.127
  165   2HB   LEU  28          2HB       LEU  28   9.591   3.983   1.309
  166    HG   LEU  28           HG       LEU  28  10.047   1.715   0.706
  167   1HD1  LEU  28          1HD2      LEU  28   7.024   1.306   0.596
  168   2HD1  LEU  28          2HD2      LEU  28   8.212   0.190  -0.111
  169   3HD1  LEU  28          3HD2      LEU  28   8.197   0.460   1.633
  170   1HD2  LEU  28          2HD1      LEU  28   9.723   3.437  -1.076
  171   2HD2  LEU  28          3HD1      LEU  28   9.342   1.796  -1.621
  172   3HD2  LEU  28          1HD1      LEU  28   8.029   2.929  -1.228
  173    H    ASN  29           H        ASN  29   7.298   4.895   3.464
  174    HA   ASN  29           HA       ASN  29   8.780   5.837   5.782
  175   1HB   ASN  29          1HB       ASN  29   8.953   8.208   4.903
  176   2HB   ASN  29          2HB       ASN  29  10.033   7.066   4.122
  177   1HD2  ASN  29          1HD2      ASN  29   8.636   7.763   0.946
  178   2HD2  ASN  29          2HD2      ASN  29   9.941   6.989   1.852
  179    HA   PRO  30           HA       PRO  30   4.607   6.726   7.071
  180   1HB   PRO  30          2HB       PRO  30   4.795   9.155   8.415
  181   2HB   PRO  30          1HB       PRO  30   5.266   7.568   9.076
  182   1HG   PRO  30          2HG       PRO  30   7.071   9.605   7.748
  183   2HG   PRO  30          1HG       PRO  30   7.328   8.754   9.298
  184   1HD   PRO  30          2HD       PRO  30   8.521   7.859   7.065
  185   2HD   PRO  30          1HD       PRO  30   7.774   6.682   8.170
  186    H    TYR  31           H        TYR  31   3.049   7.324   5.796
  187    HA   TYR  31           HA       TYR  31   1.704   8.361   4.353
  188   1HB   TYR  31          2HB       TYR  31   3.723  10.565   3.938
  189   2HB   TYR  31          1HB       TYR  31   2.204  10.418   3.093
  190    HD1  TYR  31           HD2      TYR  31   0.006  10.433   4.294
  191    HD2  TYR  31           HD1      TYR  31   3.716  11.292   6.339
  192    HE1  TYR  31           HE2      TYR  31  -1.243  10.819   6.405
  193    HE2  TYR  31           HE1      TYR  31   2.447  11.656   8.456
  194    HH   TYR  31           HH       TYR  31  -1.062  11.073   8.630
  195    H    TYR  32           H        TYR  32   5.029   7.839   3.009
  196    HA   TYR  32           HA       TYR  32   3.829   6.822   0.521
  197   1HB   TYR  32          1HB       TYR  32   6.147   7.826   0.735
  198   2HB   TYR  32          2HB       TYR  32   6.660   6.259   1.355
  199    HD1  TYR  32           HD1      TYR  32   5.681   4.154  -0.264
  200    HD2  TYR  32           HD2      TYR  32   6.657   8.184  -1.507
  201    HE1  TYR  32           HE1      TYR  32   5.615   3.444  -2.621
  202    HE2  TYR  32           HE2      TYR  32   6.754   7.401  -3.869
  203    HH   TYR  32           HH       TYR  32   5.956   4.047  -4.778
  204    H    SER  33           H        SER  33   2.311   5.306   1.253
  205    HA   SER  33           HA       SER  33   3.464   2.700   2.033
  206   1HB   SER  33          1HB       SER  33   1.367   2.940   3.106
  207   2HB   SER  33          2HB       SER  33   0.565   3.532   1.633
  208    HG   SER  33           HG       SER  33   1.396   0.927   2.351
  209    H    GLN  34           H        GLN  34   3.202   0.776   0.781
  210    HA   GLN  34           HA       GLN  34   3.048   1.184  -2.169
  211   1HB   GLN  34          1HB       GLN  34   5.430   1.280  -1.227
  212   2HB   GLN  34          2HB       GLN  34   5.256  -0.446  -0.891
  213   1HG   GLN  34          1HG       GLN  34   4.862  -0.884  -3.314
  214   2HG   GLN  34          2HG       GLN  34   4.963   0.838  -3.645
  215   1HE2  GLN  34          2HE2      GLN  34   8.516   0.876  -3.471
  216   2HE2  GLN  34          1HE2      GLN  34   7.101   1.931  -3.403
  217    H    CYS  35           H        CYS  35   2.081  -0.429  -3.315
  218    HA   CYS  35           HA       CYS  35   0.566  -2.501  -1.910
  219   1HB   CYS  35          1HB       CYS  35  -0.472  -1.167  -3.601
  220   2HB   CYS  35          2HB       CYS  35   0.769  -1.557  -4.794
  221    H    LEU  36           H        LEU  36   2.214  -3.974  -1.103
  222    HA   LEU  36           HA       LEU  36   3.311  -5.894  -3.149
  223   1HB   LEU  36          1HB       LEU  36   4.420  -4.803  -0.556
  224   2HB   LEU  36          2HB       LEU  36   4.831  -6.442  -1.047
  225    HG   LEU  36           HG       LEU  36   5.980  -5.758  -2.987
  226   1HD1  LEU  36          3HD1      LEU  36   4.881  -2.977  -2.457
  227   2HD1  LEU  36          1HD1      LEU  36   6.243  -3.312  -3.560
  228   3HD1  LEU  36          2HD1      LEU  36   4.662  -3.986  -3.910
  229   1HD2  LEU  36          3HD2      LEU  36   7.075  -5.553  -0.727
  230   2HD2  LEU  36          1HD2      LEU  36   7.775  -4.468  -1.938
  231   3HD2  LEU  36          2HD2      LEU  36   6.656  -3.830  -0.715
   
  No H/Q in entry =         231
  Start of MODEL   11
    1   1H    THR   1          2H        THR   1  -5.229  -8.545 -10.303
    2   2H    THR   1          3H        THR   1  -5.000  -9.991 -11.110
    3   3H    THR   1          1H        THR   1  -6.189  -9.858  -9.985
    4    HA   THR   1           HA       THR   1  -4.627  -9.779  -8.253
    5    HB   THR   1           HB       THR   1  -3.306 -11.965  -8.748
    6    HG1  THR   1           HG1      THR   1  -3.559 -12.713 -10.748
    7   1HG2  THR   1          3HG2      THR   1  -6.359 -11.882  -9.045
    8   2HG2  THR   1          1HG2      THR   1  -5.393 -13.325  -8.719
    9   3HG2  THR   1          2HG2      THR   1  -5.436 -12.016  -7.531
   10    H    GLN   2           H        GLN   2  -2.982  -8.240  -7.857
   11    HA   GLN   2           HA       GLN   2  -0.433  -8.406  -9.425
   12   1HB   GLN   2          1HB       GLN   2  -2.053  -5.880  -8.937
   13   2HB   GLN   2          2HB       GLN   2  -0.389  -5.902  -9.507
   14   1HG   GLN   2          1HG       GLN   2  -2.681  -7.194 -11.053
   15   2HG   GLN   2          2HG       GLN   2  -2.124  -5.540 -11.276
   16   1HE2  GLN   2          2HE2      GLN   2   0.212  -8.513 -12.754
   17   2HE2  GLN   2          1HE2      GLN   2  -1.000  -8.980 -11.551
   18    H    SER   3           H        SER   3   1.217  -8.677  -8.039
   19    HA   SER   3           HA       SER   3   1.297  -7.696  -5.277
   20   1HB   SER   3          1HB       SER   3   3.446  -8.754  -7.166
   21   2HB   SER   3          2HB       SER   3   3.715  -8.370  -5.478
   22    HG   SER   3           HG       SER   3   2.307  -9.980  -4.862
   23    H    HIS   4           H        HIS   4   3.462  -6.828  -8.009
   24    HA   HIS   4           HA       HIS   4   3.867  -4.155  -7.228
   25   1HB   HIS   4          1HB       HIS   4   4.309  -5.390  -9.956
   26   2HB   HIS   4          2HB       HIS   4   5.095  -3.954  -9.281
   27    HD2  HIS   4           HD2      HIS   4   6.878  -4.464  -7.138
   28    HE1  HIS   4           HE1      HIS   4   6.578  -8.673  -7.273
   29    HE2  HIS   4           HE2      HIS   4   7.694  -6.719  -6.094
   30    H    ALA   5           H        ALA   5   2.247  -2.768  -7.009
   31    HA   ALA   5           HA       ALA   5   0.587  -1.988  -9.354
   32   1HB   ALA   5          2HB       ALA   5  -0.529  -3.925  -8.221
   33   2HB   ALA   5          3HB       ALA   5  -0.624  -2.967  -6.738
   34   3HB   ALA   5          1HB       ALA   5  -1.508  -2.460  -8.204
   35    H    GLY   6           H        GLY   6  -1.239  -0.778  -7.106
   36   1HA   GLY   6          1HA       GLY   6   0.117   1.893  -7.077
   37   2HA   GLY   6          2HA       GLY   6  -1.590   1.549  -6.867
   38    H    GLN   7           H        GLN   7  -2.139   2.273  -4.890
   39    HA   GLN   7           HA       GLN   7  -0.337   2.291  -2.611
   40   1HB   GLN   7          1HB       GLN   7  -2.064   4.048  -3.278
   41   2HB   GLN   7          2HB       GLN   7  -3.287   2.955  -2.635
   42   1HG   GLN   7          2HG       GLN   7  -2.096   3.048  -0.403
   43   2HG   GLN   7          1HG       GLN   7  -0.898   4.142  -1.134
   44   1HE2  GLN   7          2HE2      GLN   7  -3.146   6.410   0.548
   45   2HE2  GLN   7          1HE2      GLN   7  -1.741   5.398   0.916
   46    H    CYS   8           H        CYS   8  -0.692   1.230  -0.599
   47    HA   CYS   8           HA       CYS   8  -2.345  -1.299  -0.613
   48   1HB   CYS   8          2HB       CYS   8  -0.073  -1.810  -0.113
   49   2HB   CYS   8          1HB       CYS   8   0.046  -0.474   1.027
   50    H    GLY   9           H        GLY   9  -1.396   1.079   1.867
   51   1HA   GLY   9          1HA       GLY   9  -3.947   2.192   2.517
   52   2HA   GLY   9          2HA       GLY   9  -3.723   0.741   3.499
   53    H    GLY  10           H        GLY  10  -2.431   3.975   2.829
   54   1HA   GLY  10          1HA       GLY  10  -0.095   3.651   4.531
   55   2HA   GLY  10          2HA       GLY  10  -0.566   5.113   3.672
   56    H    ILE  11           H        ILE  11   0.506   4.689   6.413
   57    HA   ILE  11           HA       ILE  11  -1.305   4.941   8.510
   58    HB   ILE  11           HB       ILE  11   1.440   6.196   8.235
   59   1HG1  ILE  11          2HG1      ILE  11   0.523   3.503   9.352
   60   2HG1  ILE  11          1HG1      ILE  11   1.468   3.761   7.883
   61   1HG2  ILE  11          2HG2      ILE  11   0.140   7.212  10.125
   62   2HG2  ILE  11          3HG2      ILE  11  -0.131   5.586  10.779
   63   3HG2  ILE  11          1HG2      ILE  11   1.504   6.270  10.685
   64   1HD1  ILE  11          2HD1      ILE  11   3.293   4.789   9.317
   65   2HD1  ILE  11          3HD1      ILE  11   2.387   4.213  10.736
   66   3HD1  ILE  11          1HD1      ILE  11   3.002   3.056   9.552
   67    H    GLY  12           H        GLY  12  -3.041   6.241   8.498
   68   1HA   GLY  12          2HA       GLY  12  -3.919   8.492   9.060
   69   2HA   GLY  12          1HA       GLY  12  -2.820   9.192   7.882
   70    H    TYR  13           H        TYR  13  -3.107   7.499   5.703
   71    HA   TYR  13           HA       TYR  13  -5.885   7.919   4.737
   72   1HB   TYR  13          1HB       TYR  13  -3.780   8.409   3.389
   73   2HB   TYR  13          2HB       TYR  13  -3.579   6.673   3.212
   74    HD1  TYR  13           HD2      TYR  13  -6.914   6.404   2.915
   75    HD2  TYR  13           HD1      TYR  13  -3.789   8.724   0.997
   76    HE1  TYR  13           HE2      TYR  13  -8.174   6.378   0.813
   77    HE2  TYR  13           HE1      TYR  13  -5.119   8.713  -1.108
   78    HH   TYR  13           HH       TYR  13  -8.106   6.840  -1.428
   79    H    SER  14           H        SER  14  -6.176   6.456   6.778
   80    HA   SER  14           HA       SER  14  -5.757   3.598   6.525
   81   1HB   SER  14          1HB       SER  14  -7.366   5.221   8.531
   82   2HB   SER  14          2HB       SER  14  -6.867   3.525   8.716
   83    HG   SER  14           HG       SER  14  -5.400   4.981   9.765
   84    H    GLY  15           H        GLY  15  -7.033   3.764   4.319
   85   1HA   GLY  15          1HA       GLY  15  -9.796   2.706   4.768
   86   2HA   GLY  15          2HA       GLY  15  -9.597   4.154   3.770
   87    HA   PRO  16           HA       PRO  16  -9.320   0.118   1.315
   88   1HB   PRO  16          1HB       PRO  16 -11.675   0.123  -0.055
   89   2HB   PRO  16          2HB       PRO  16 -11.561  -0.361   1.652
   90   1HG   PRO  16          1HG       PRO  16 -12.298   2.378   0.572
   91   2HG   PRO  16          2HG       PRO  16 -13.225   1.398   1.743
   92   1HD   PRO  16          1HD       PRO  16 -11.523   3.343   2.588
   93   2HD   PRO  16          2HD       PRO  16 -11.631   1.795   3.467
   94    H    THR  17           H        THR  17  -7.608   1.730   0.633
   95    HA   THR  17           HA       THR  17  -7.901   2.398  -2.297
   96    HB   THR  17           HB       THR  17  -7.509   4.360  -0.923
   97    HG1  THR  17           HG1      THR  17  -5.262   4.672  -2.025
   98   1HG2  THR  17          2HG2      THR  17  -6.193   3.280   0.958
   99   2HG2  THR  17          3HG2      THR  17  -4.799   3.197  -0.117
  100   3HG2  THR  17          1HG2      THR  17  -5.488   4.762   0.322
  101    H    VAL  18           H        VAL  18  -7.678  -0.115  -2.005
  102    HA   VAL  18           HA       VAL  18  -4.847  -0.966  -1.597
  103    HB   VAL  18           HB       VAL  18  -6.430  -1.461   0.183
  104   1HG1  VAL  18          3HG2      VAL  18  -8.521  -1.844  -1.133
  105   2HG1  VAL  18          1HG2      VAL  18  -7.835  -3.365  -1.740
  106   3HG1  VAL  18          2HG2      VAL  18  -8.160  -3.158  -0.012
  107   1HG2  VAL  18          2HG1      VAL  18  -4.435  -2.885  -0.207
  108   2HG2  VAL  18          3HG1      VAL  18  -5.772  -3.771   0.531
  109   3HG2  VAL  18          1HG1      VAL  18  -5.425  -3.982  -1.196
  110    H    CYS  19           H        CYS  19  -3.777  -2.209  -2.962
  111    HA   CYS  19           HA       CYS  19  -4.487  -2.839  -5.568
  112   1HB   CYS  19          1HB       CYS  19  -2.530  -4.377  -5.520
  113   2HB   CYS  19          2HB       CYS  19  -2.225  -2.799  -4.798
  114    H    ALA  20           H        ALA  20  -5.668  -4.344  -6.615
  115    HA   ALA  20           HA       ALA  20  -7.202  -6.410  -5.432
  116   1HB   ALA  20          2HB       ALA  20  -7.740  -5.419  -7.589
  117   2HB   ALA  20          3HB       ALA  20  -6.286  -6.138  -8.319
  118   3HB   ALA  20          1HB       ALA  20  -7.598  -7.177  -7.724
  119    H    SER  21           H        SER  21  -6.176  -7.844  -4.207
  120    HA   SER  21           HA       SER  21  -4.543  -9.133  -3.386
  121   1HB   SER  21          1HB       SER  21  -6.639 -10.332  -3.618
  122   2HB   SER  21          2HB       SER  21  -6.072 -11.063  -5.133
  123    HG   SER  21           HG       SER  21  -5.544 -11.873  -2.630
  124    H    GLY  22           H        GLY  22  -2.715 -10.139  -3.263
  125   1HA   GLY  22          2HA       GLY  22  -0.640 -10.941  -4.862
  126   2HA   GLY  22          1HA       GLY  22  -0.793  -9.223  -5.256
  127    H    THR  23           H        THR  23  -1.514  -8.066  -2.970
  128    HA   THR  23           HA       THR  23  -1.353  -7.552  -0.804
  129    HB   THR  23           HB       THR  23  -2.552  -9.701  -0.765
  130    HG1  THR  23           HG1      THR  23  -0.976  -9.059   1.486
  131   1HG2  THR  23          3HG2      THR  23   0.074 -10.889   0.246
  132   2HG2  THR  23          1HG2      THR  23  -1.526 -11.636   0.394
  133   3HG2  THR  23          2HG2      THR  23  -0.817 -11.404  -1.200
  134    H    THR  24           H        THR  24   1.320  -7.639  -2.154
  135    HA   THR  24           HA       THR  24   3.318  -7.917  -0.049
  136    HB   THR  24           HB       THR  24   4.715  -7.001  -2.053
  137    HG1  THR  24           HG1      THR  24   3.652  -6.851  -3.925
  138   1HG2  THR  24          3HG2      THR  24   3.159  -9.617  -2.329
  139   2HG2  THR  24          1HG2      THR  24   4.619  -9.179  -3.242
  140   3HG2  THR  24          2HG2      THR  24   4.702  -9.380  -1.482
  141    H    CYS  25           H        CYS  25   1.899  -6.325   1.225
  142    HA   CYS  25           HA       CYS  25   1.906  -3.544   0.659
  143   1HB   CYS  25          1HB       CYS  25   0.435  -4.865   2.261
  144   2HB   CYS  25          2HB       CYS  25   1.770  -4.804   3.407
  145    H    GLN  26           H        GLN  26   3.766  -2.432   0.262
  146    HA   GLN  26           HA       GLN  26   6.043  -2.459   2.213
  147   1HB   GLN  26          1HB       GLN  26   7.165  -3.197   0.420
  148   2HB   GLN  26          2HB       GLN  26   5.876  -2.828  -0.687
  149   1HG   GLN  26          2HG       GLN  26   7.790  -1.710  -1.453
  150   2HG   GLN  26          1HG       GLN  26   6.633  -0.497  -0.919
  151   1HE2  GLN  26          1HE2      GLN  26   9.909  -0.942   1.503
  152   2HE2  GLN  26          2HE2      GLN  26   9.008  -2.412   1.090
  153    H    VAL  27           H        VAL  27   7.296  -0.350   2.331
  154    HA   VAL  27           HA       VAL  27   5.507   2.035   2.190
  155    HB   VAL  27           HB       VAL  27   5.080   0.954   4.278
  156   1HG1  VAL  27          3HG2      VAL  27   7.390  -0.080   4.628
  157   2HG1  VAL  27          1HG2      VAL  27   7.925   1.507   5.212
  158   3HG1  VAL  27          2HG2      VAL  27   6.629   0.645   6.047
  159   1HG2  VAL  27          2HG1      VAL  27   5.062   3.500   4.031
  160   2HG2  VAL  27          3HG1      VAL  27   5.190   2.874   5.678
  161   3HG2  VAL  27          1HG1      VAL  27   6.631   3.503   4.855
  162    H    LEU  28           H        LEU  28   6.547   3.316   0.848
  163    HA   LEU  28           HA       LEU  28   9.296   3.788   0.515
  164   1HB   LEU  28          1HB       LEU  28   6.795   5.457  -0.006
  165   2HB   LEU  28          2HB       LEU  28   8.398   6.081  -0.369
  166    HG   LEU  28           HG       LEU  28   8.851   4.220  -1.908
  167   1HD1  LEU  28          1HD2      LEU  28   5.973   3.399  -1.323
  168   2HD1  LEU  28          2HD2      LEU  28   6.925   2.825  -2.708
  169   3HD1  LEU  28          3HD2      LEU  28   7.435   2.419  -1.076
  170   1HD2  LEU  28          2HD1      LEU  28   7.914   6.370  -2.698
  171   2HD2  LEU  28          3HD1      LEU  28   7.320   5.021  -3.680
  172   3HD2  LEU  28          1HD1      LEU  28   6.266   5.756  -2.452
  173    H    ASN  29           H        ASN  29   7.094   6.031   2.160
  174    HA   ASN  29           HA       ASN  29   9.141   6.659   4.226
  175   1HB   ASN  29          1HB       ASN  29   7.244   8.657   2.896
  176   2HB   ASN  29          2HB       ASN  29   8.112   8.949   4.400
  177   1HD2  ASN  29          1HD2      ASN  29  10.274   9.078   0.974
  178   2HD2  ASN  29          2HD2      ASN  29   8.665   8.350   0.885
  179    HA   PRO  30           HA       PRO  30   6.328   4.926   7.126
  180   1HB   PRO  30          2HB       PRO  30   6.594   7.581   8.583
  181   2HB   PRO  30          1HB       PRO  30   6.533   5.937   9.273
  182   1HG   PRO  30          1HG       PRO  30   8.941   7.106   8.849
  183   2HG   PRO  30          2HG       PRO  30   8.695   5.401   8.389
  184   1HD   PRO  30          2HD       PRO  30   8.774   7.826   6.596
  185   2HD   PRO  30          1HD       PRO  30   9.380   6.165   6.327
  186    H    TYR  31           H        TYR  31   5.363   8.389   6.808
  187    HA   TYR  31           HA       TYR  31   2.501   7.823   6.883
  188   1HB   TYR  31          1HB       TYR  31   4.097  10.323   6.246
  189   2HB   TYR  31          2HB       TYR  31   2.346  10.262   6.330
  190    HD1  TYR  31           HD2      TYR  31   1.193   9.507   8.469
  191    HD2  TYR  31           HD1      TYR  31   5.400  10.479   8.329
  192    HE1  TYR  31           HE2      TYR  31   1.265   9.558  10.952
  193    HE2  TYR  31           HE1      TYR  31   5.450  10.552  10.825
  194    HH   TYR  31           HH       TYR  31   2.525   9.951  12.764
  195    H    TYR  32           H        TYR  32   3.007   6.101   5.199
  196    HA   TYR  32           HA       TYR  32   1.477   6.655   2.870
  197   1HB   TYR  32          2HB       TYR  32   3.913   7.600   2.301
  198   2HB   TYR  32          1HB       TYR  32   4.349   5.917   2.159
  199    HD1  TYR  32           HD2      TYR  32   1.920   8.519   0.976
  200    HD2  TYR  32           HD1      TYR  32   3.891   4.797   0.029
  201    HE1  TYR  32           HE2      TYR  32   0.600   8.347  -1.138
  202    HE2  TYR  32           HE1      TYR  32   2.447   4.561  -1.991
  203    HH   TYR  32           HH       TYR  32   0.835   5.492  -3.273
  204    H    SER  33           H        SER  33   1.673   4.609   1.336
  205    HA   SER  33           HA       SER  33   3.241   2.466   1.978
  206   1HB   SER  33          1HB       SER  33   1.947   1.831   3.930
  207   2HB   SER  33          2HB       SER  33   0.438   1.884   3.004
  208    HG   SER  33           HG       SER  33   2.655   0.154   2.457
  209    H    GLN  34           H        GLN  34   3.476   1.118   0.276
  210    HA   GLN  34           HA       GLN  34   1.676   1.392  -2.091
  211   1HB   GLN  34          1HB       GLN  34   3.860   2.810  -1.968
  212   2HB   GLN  34          2HB       GLN  34   4.698   1.289  -2.255
  213   1HG   GLN  34          1HG       GLN  34   3.558   1.047  -4.432
  214   2HG   GLN  34          2HG       GLN  34   2.518   2.421  -4.079
  215   1HE2  GLN  34          2HE2      GLN  34   5.068   4.814  -4.823
  216   2HE2  GLN  34          1HE2      GLN  34   3.580   4.644  -3.884
  217    H    CYS  35           H        CYS  35   1.464  -0.442  -3.421
  218    HA   CYS  35           HA       CYS  35   2.076  -3.033  -2.090
  219   1HB   CYS  35          1HB       CYS  35  -0.212  -2.364  -2.714
  220   2HB   CYS  35          2HB       CYS  35   0.254  -2.377  -4.417
  221    H    LEU  36           H        LEU  36   4.063  -3.892  -2.627
  222    HA   LEU  36           HA       LEU  36   4.974  -3.924  -5.463
  223   1HB   LEU  36          1HB       LEU  36   6.470  -2.872  -3.082
  224   2HB   LEU  36          2HB       LEU  36   7.347  -3.785  -4.292
  225    HG   LEU  36           HG       LEU  36   6.331  -2.237  -6.077
  226   1HD1  LEU  36          2HD1      LEU  36   4.665  -1.076  -4.609
  227   2HD1  LEU  36          3HD1      LEU  36   5.996  -0.426  -3.636
  228   3HD1  LEU  36          1HD1      LEU  36   5.815   0.030  -5.350
  229   1HD2  LEU  36          3HD2      LEU  36   8.723  -2.279  -5.393
  230   2HD2  LEU  36          1HD2      LEU  36   8.152  -0.667  -5.849
  231   3HD2  LEU  36          2HD2      LEU  36   8.365  -1.079  -4.132
   
  No H/Q in entry =         231
  Start of MODEL   12
    1   1H    THR   1          2H        THR   1  -1.517  -9.521 -11.688
    2   2H    THR   1          3H        THR   1  -0.694 -10.170 -10.403
    3   3H    THR   1          1H        THR   1  -2.013 -10.934 -10.986
    4    HA   THR   1           HA       THR   1  -3.469  -9.257 -10.163
    5    HB   THR   1           HB       THR   1  -2.869  -9.251  -7.680
    6    HG1  THR   1           HG1      THR   1  -0.979 -10.338  -7.155
    7   1HG2  THR   1          3HG2      THR   1  -2.692 -11.957  -9.102
    8   2HG2  THR   1          1HG2      THR   1  -3.088 -11.686  -7.399
    9   3HG2  THR   1          2HG2      THR   1  -4.196 -11.114  -8.654
   10    H    GLN   2           H        GLN   2  -0.736  -8.074  -8.179
   11    HA   GLN   2           HA       GLN   2  -1.207  -5.287  -8.930
   12   1HB   GLN   2          1HB       GLN   2   0.838  -6.705  -7.186
   13   2HB   GLN   2          2HB       GLN   2   0.926  -4.974  -7.515
   14   1HG   GLN   2          1HG       GLN   2  -1.519  -6.332  -6.334
   15   2HG   GLN   2          2HG       GLN   2  -0.272  -5.524  -5.390
   16   1HE2  GLN   2          2HE2      GLN   2  -3.032  -3.214  -7.233
   17   2HE2  GLN   2          1HE2      GLN   2  -3.120  -4.981  -7.405
   18    H    SER   3           H        SER   3  -1.106  -5.982 -11.193
   19    HA   SER   3           HA       SER   3   1.353  -6.248 -12.636
   20   1HB   SER   3          1HB       SER   3  -1.223  -5.132 -13.796
   21   2HB   SER   3          2HB       SER   3   0.011  -6.134 -14.561
   22    HG   SER   3           HG       SER   3  -1.947  -6.885 -12.629
   23    H    HIS   4           H        HIS   4  -0.495  -3.515 -11.493
   24    HA   HIS   4           HA       HIS   4   1.820  -1.719 -11.927
   25   1HB   HIS   4          1HB       HIS   4  -1.122  -0.918 -12.043
   26   2HB   HIS   4          2HB       HIS   4   0.251   0.188 -12.052
   27    HD2  HIS   4           HD2      HIS   4   1.295   0.730 -14.505
   28    HE1  HIS   4           HE1      HIS   4  -0.799  -2.259 -16.660
   29    HE2  HIS   4           HE2      HIS   4   0.767  -0.264 -16.887
   30    H    ALA   5           H        ALA   5   2.430  -0.631 -10.049
   31    HA   ALA   5           HA       ALA   5   1.740  -1.962  -7.598
   32   1HB   ALA   5          2HB       ALA   5   4.023  -1.355  -8.242
   33   2HB   ALA   5          3HB       ALA   5   3.623   0.370  -8.090
   34   3HB   ALA   5          1HB       ALA   5   3.576  -0.691  -6.667
   35    H    GLY   6           H        GLY   6  -0.340  -1.499  -6.900
   36   1HA   GLY   6          1HA       GLY   6  -1.262   1.264  -6.339
   37   2HA   GLY   6          2HA       GLY   6  -2.166  -0.243  -6.163
   38    H    GLN   7           H        GLN   7  -2.768   1.078  -4.170
   39    HA   GLN   7           HA       GLN   7  -0.839   0.887  -1.917
   40   1HB   GLN   7          1HB       GLN   7  -2.037   3.068  -2.680
   41   2HB   GLN   7          2HB       GLN   7  -3.469   2.358  -1.931
   42   1HG   GLN   7          2HG       GLN   7  -2.130   2.199   0.232
   43   2HG   GLN   7          1HG       GLN   7  -0.800   3.034  -0.604
   44   1HE2  GLN   7          2HE2      GLN   7  -2.705   5.529   1.324
   45   2HE2  GLN   7          1HE2      GLN   7  -1.760   4.091   1.740
   46    H    CYS   8           H        CYS   8  -1.490   0.118   0.138
   47    HA   CYS   8           HA       CYS   8  -3.592  -2.002   0.216
   48   1HB   CYS   8          2HB       CYS   8  -1.503  -1.290   2.304
   49   2HB   CYS   8          1HB       CYS   8  -2.470  -2.763   2.209
   50    H    GLY   9           H        GLY   9  -2.740   0.946   1.903
   51   1HA   GLY   9          1HA       GLY   9  -4.693   2.170   3.202
   52   2HA   GLY   9          2HA       GLY   9  -4.875   0.595   3.979
   53    H    GLY  10           H        GLY  10  -2.953   3.480   3.848
   54   1HA   GLY  10          1HA       GLY  10  -0.610   2.207   5.254
   55   2HA   GLY  10          2HA       GLY  10  -0.577   3.636   4.218
   56    H    ILE  11           H        ILE  11   0.838   4.033   6.279
   57    HA   ILE  11           HA       ILE  11  -0.327   4.957   8.699
   58    HB   ILE  11           HB       ILE  11   2.131   6.012   7.264
   59   1HG1  ILE  11          2HG1      ILE  11   1.812   3.845   9.401
   60   2HG1  ILE  11          1HG1      ILE  11   2.290   3.597   7.717
   61   1HG2  ILE  11          2HG2      ILE  11   1.237   7.570   9.039
   62   2HG2  ILE  11          3HG2      ILE  11   1.372   6.250  10.215
   63   3HG2  ILE  11          1HG2      ILE  11   2.816   6.925   9.428
   64   1HD1  ILE  11          2HD1      ILE  11   4.327   5.036   8.140
   65   2HD1  ILE  11          3HD1      ILE  11   3.917   4.985   9.871
   66   3HD1  ILE  11          1HD1      ILE  11   4.282   3.489   9.002
   67    H    GLY  12           H        GLY  12  -1.556   6.701   9.213
   68   1HA   GLY  12          1HA       GLY  12  -2.796   8.646   9.014
   69   2HA   GLY  12          2HA       GLY  12  -1.866   9.139   7.605
   70    H    TYR  13           H        TYR  13  -2.341   7.286   5.711
   71    HA   TYR  13           HA       TYR  13  -5.129   7.651   4.945
   72   1HB   TYR  13          1HB       TYR  13  -2.977   7.632   3.492
   73   2HB   TYR  13          2HB       TYR  13  -3.185   5.892   3.455
   74    HD1  TYR  13           HD2      TYR  13  -6.410   6.024   3.289
   75    HD2  TYR  13           HD1      TYR  13  -3.209   8.049   1.168
   76    HE1  TYR  13           HE2      TYR  13  -7.866   6.290   1.327
   77    HE2  TYR  13           HE1      TYR  13  -4.712   8.290  -0.801
   78    HH   TYR  13           HH       TYR  13  -8.011   6.958  -0.829
   79    H    SER  14           H        SER  14  -5.644   6.490   7.094
   80    HA   SER  14           HA       SER  14  -5.910   3.553   7.000
   81   1HB   SER  14          2HB       SER  14  -5.364   4.780   9.086
   82   2HB   SER  14          1HB       SER  14  -6.955   5.568   9.020
   83    HG   SER  14           HG       SER  14  -7.117   3.685  10.293
   84    H    GLY  15           H        GLY  15  -7.192   3.483   5.006
   85   1HA   GLY  15          2HA       GLY  15  -9.962   3.100   5.506
   86   2HA   GLY  15          1HA       GLY  15  -9.768   4.671   4.700
   87    HA   PRO  16           HA       PRO  16 -10.451   1.149   1.666
   88   1HB   PRO  16          2HB       PRO  16 -12.318   3.279   0.593
   89   2HB   PRO  16          1HB       PRO  16 -12.525   1.508   0.602
   90   1HG   PRO  16          2HG       PRO  16 -13.763   2.980   2.492
   91   2HG   PRO  16          1HG       PRO  16 -12.856   1.530   3.011
   92   1HD   PRO  16          1HD       PRO  16 -11.889   4.418   3.024
   93   2HD   PRO  16          2HD       PRO  16 -11.875   3.222   4.346
   94    H    THR  17           H        THR  17  -8.119   1.880   1.247
   95    HA   THR  17           HA       THR  17  -8.016   2.401  -1.702
   96    HB   THR  17           HB       THR  17  -7.168   4.395  -0.704
   97    HG1  THR  17           HG1      THR  17  -4.951   4.188  -1.586
   98   1HG2  THR  17          2HG2      THR  17  -6.336   3.509   1.492
   99   2HG2  THR  17          3HG2      THR  17  -4.957   2.779   0.646
  100   3HG2  THR  17          1HG2      THR  17  -5.173   4.530   0.640
  101    H    VAL  18           H        VAL  18  -8.482   0.141  -1.490
  102    HA   VAL  18           HA       VAL  18  -6.332  -1.631  -0.496
  103    HB   VAL  18           HB       VAL  18  -8.534  -1.741   0.538
  104   1HG1  VAL  18          2HG1      VAL  18  -9.961  -1.292  -1.498
  105   2HG1  VAL  18          3HG1      VAL  18  -9.605  -2.940  -2.051
  106   3HG1  VAL  18          1HG1      VAL  18 -10.473  -2.683  -0.535
  107   1HG2  VAL  18          3HG2      VAL  18  -7.055  -3.699   0.597
  108   2HG2  VAL  18          1HG2      VAL  18  -8.759  -4.180   0.541
  109   3HG2  VAL  18          2HG2      VAL  18  -7.763  -4.304  -0.917
  110    H    CYS  19           H        CYS  19  -5.107  -2.762  -1.786
  111    HA   CYS  19           HA       CYS  19  -5.425  -3.004  -4.642
  112   1HB   CYS  19          1HB       CYS  19  -3.305  -4.268  -4.451
  113   2HB   CYS  19          2HB       CYS  19  -3.249  -2.766  -3.548
  114    H    ALA  20           H        ALA  20  -5.037  -5.026  -5.784
  115    HA   ALA  20           HA       ALA  20  -6.348  -7.507  -4.748
  116   1HB   ALA  20          2HB       ALA  20  -6.662  -6.998  -7.144
  117   2HB   ALA  20          3HB       ALA  20  -4.903  -6.978  -7.385
  118   3HB   ALA  20          1HB       ALA  20  -5.725  -8.484  -6.918
  119    H    SER  21           H        SER  21  -5.033  -9.442  -4.443
  120    HA   SER  21           HA       SER  21  -3.021  -9.131  -2.683
  121   1HB   SER  21          1HB       SER  21  -3.358 -11.539  -4.494
  122   2HB   SER  21          2HB       SER  21  -2.540 -11.530  -2.928
  123    HG   SER  21           HG       SER  21  -4.574 -10.852  -1.999
  124    H    GLY  22           H        GLY  22  -1.143  -8.072  -2.875
  125   1HA   GLY  22          1HA       GLY  22   1.003  -8.883  -4.741
  126   2HA   GLY  22          2HA       GLY  22   1.145  -7.895  -3.281
  127    H    THR  23           H        THR  23   2.677  -8.933  -2.168
  128    HA   THR  23           HA       THR  23   2.173 -11.674  -1.044
  129    HB   THR  23           HB       THR  23   4.183 -11.640  -2.436
  130    HG1  THR  23           HG1      THR  23   5.646 -12.150  -0.539
  131   1HG2  THR  23          3HG2      THR  23   5.390  -9.554  -0.556
  132   2HG2  THR  23          1HG2      THR  23   6.262 -10.519  -1.755
  133   3HG2  THR  23          2HG2      THR  23   5.046  -9.395  -2.295
  134    H    THR  24           H        THR  24   3.281  -8.358  -0.462
  135    HA   THR  24           HA       THR  24   2.279  -8.436   2.300
  136    HB   THR  24           HB       THR  24   4.217  -7.615   3.369
  137    HG1  THR  24           HG1      THR  24   5.070  -7.030   0.917
  138   1HG2  THR  24          2HG2      THR  24   4.146 -10.075   3.216
  139   2HG2  THR  24          3HG2      THR  24   5.188 -10.019   1.772
  140   3HG2  THR  24          1HG2      THR  24   5.811  -9.455   3.321
  141    H    CYS  25           H        CYS  25   4.333  -5.831   1.985
  142    HA   CYS  25           HA       CYS  25   2.956  -4.020   0.499
  143   1HB   CYS  25          1HB       CYS  25   1.174  -4.361   2.417
  144   2HB   CYS  25          2HB       CYS  25   2.237  -3.324   3.360
  145    H    GLN  26           H        GLN  26   4.656  -2.859  -0.047
  146    HA   GLN  26           HA       GLN  26   6.942  -2.246   1.744
  147   1HB   GLN  26          1HB       GLN  26   7.404  -3.168  -0.473
  148   2HB   GLN  26          2HB       GLN  26   6.422  -1.928  -1.252
  149   1HG   GLN  26          2HG       GLN  26   8.810  -1.512  -1.542
  150   2HG   GLN  26          1HG       GLN  26   7.974  -0.194  -0.702
  151   1HE2  GLN  26          2HE2      GLN  26  10.130  -2.285   1.998
  152   2HE2  GLN  26          1HE2      GLN  26   9.059  -3.223   0.940
  153    H    VAL  27           H        VAL  27   7.778   0.023   1.966
  154    HA   VAL  27           HA       VAL  27   5.623   2.087   1.753
  155    HB   VAL  27           HB       VAL  27   5.791   1.013   4.008
  156   1HG1  VAL  27          3HG2      VAL  27   8.283   0.859   4.145
  157   2HG1  VAL  27          1HG2      VAL  27   8.352   2.631   4.314
  158   3HG1  VAL  27          2HG2      VAL  27   7.531   1.647   5.542
  159   1HG2  VAL  27          1HG1      VAL  27   5.912   3.970   3.498
  160   2HG2  VAL  27          2HG1      VAL  27   4.553   2.935   3.881
  161   3HG2  VAL  27          3HG1      VAL  27   5.720   3.334   5.144
  162    H    LEU  28           H        LEU  28   6.187   3.755   0.581
  163    HA   LEU  28           HA       LEU  28   8.986   4.303  -0.130
  164   1HB   LEU  28          1HB       LEU  28   6.349   5.515  -1.056
  165   2HB   LEU  28          2HB       LEU  28   7.936   6.080  -1.566
  166    HG   LEU  28           HG       LEU  28   8.473   3.843  -2.495
  167   1HD1  LEU  28          3HD1      LEU  28   5.557   3.243  -1.835
  168   2HD1  LEU  28          1HD1      LEU  28   6.524   2.321  -3.004
  169   3HD1  LEU  28          2HD1      LEU  28   6.989   2.321  -1.311
  170   1HD2  LEU  28          3HD2      LEU  28   7.623   5.693  -3.898
  171   2HD2  LEU  28          1HD2      LEU  28   7.043   4.133  -4.496
  172   3HD2  LEU  28          2HD2      LEU  28   5.951   5.187  -3.574
  173    H    ASN  29           H        ASN  29   6.388   6.292   1.256
  174    HA   ASN  29           HA       ASN  29   8.230   8.280   2.504
  175   1HB   ASN  29          1HB       ASN  29   5.215   7.830   2.713
  176   2HB   ASN  29          2HB       ASN  29   6.072   9.251   3.331
  177   1HD2  ASN  29          1HD2      ASN  29   4.511   9.985   0.008
  178   2HD2  ASN  29          2HD2      ASN  29   3.799   9.128   1.390
  179    HA   PRO  30           HA       PRO  30   6.801   6.152   6.533
  180   1HB   PRO  30          2HB       PRO  30   5.879   8.838   7.496
  181   2HB   PRO  30          1HB       PRO  30   6.847   7.608   8.337
  182   1HG   PRO  30          2HG       PRO  30   7.992   9.911   7.406
  183   2HG   PRO  30          1HG       PRO  30   8.854   8.354   7.322
  184   1HD   PRO  30          2HD       PRO  30   7.296   9.732   5.120
  185   2HD   PRO  30          1HD       PRO  30   8.926   9.001   5.042
  186    H    TYR  31           H        TYR  31   4.928   9.055   5.482
  187    HA   TYR  31           HA       TYR  31   2.377   7.739   5.682
  188   1HB   TYR  31          1HB       TYR  31   3.181  10.456   4.615
  189   2HB   TYR  31          2HB       TYR  31   1.528   9.896   4.746
  190    HD1  TYR  31           HD1      TYR  31   0.415   9.519   6.891
  191    HD2  TYR  31           HD2      TYR  31   4.456  11.032   6.710
  192    HE1  TYR  31           HE1      TYR  31   0.305  10.108   9.305
  193    HE2  TYR  31           HE2      TYR  31   4.323  11.629   9.132
  194    HH   TYR  31           HH       TYR  31   1.398  10.981  11.059
  195    H    TYR  32           H        TYR  32   3.029   5.955   4.244
  196    HA   TYR  32           HA       TYR  32   0.635   5.860   3.265
  197   1HB   TYR  32          2HB       TYR  32   0.400   5.529   0.943
  198   2HB   TYR  32          1HB       TYR  32   0.953   7.119   1.319
  199    HD1  TYR  32           HD2      TYR  32   2.924   3.868   0.438
  200    HD2  TYR  32           HD1      TYR  32   2.119   7.997  -0.525
  201    HE1  TYR  32           HE2      TYR  32   2.812   3.319  -1.977
  202    HE2  TYR  32           HE1      TYR  32   2.525   7.479  -2.921
  203    HH   TYR  32           HH       TYR  32   2.692   5.790  -4.481
  204    H    SER  33           H        SER  33   0.907   3.590   1.265
  205    HA   SER  33           HA       SER  33   2.843   1.800   2.163
  206   1HB   SER  33          1HB       SER  33   1.264   1.592   4.203
  207   2HB   SER  33          2HB       SER  33   0.183   0.694   3.132
  208    HG   SER  33           HG       SER  33   1.691  -0.694   4.183
  209    H    GLN  34           H        GLN  34   3.321   0.752   0.331
  210    HA   GLN  34           HA       GLN  34   1.431   0.545  -1.904
  211   1HB   GLN  34          1HB       GLN  34   3.901   1.570  -1.903
  212   2HB   GLN  34          2HB       GLN  34   4.394  -0.081  -2.084
  213   1HG   GLN  34          1HG       GLN  34   3.047  -0.340  -4.127
  214   2HG   GLN  34          2HG       GLN  34   2.334   1.259  -3.925
  215   1HE2  GLN  34          2HE2      GLN  34   5.139   2.937  -5.290
  216   2HE2  GLN  34          1HE2      GLN  34   3.650   3.192  -4.370
  217    H    CYS  35           H        CYS  35   0.732  -1.404  -2.738
  218    HA   CYS  35           HA       CYS  35   1.012  -3.797  -1.141
  219   1HB   CYS  35          1HB       CYS  35  -1.049  -2.872  -2.218
  220   2HB   CYS  35          2HB       CYS  35  -0.389  -3.325  -3.779
  221    H    LEU  36           H        LEU  36   3.463  -3.798  -1.607
  222    HA   LEU  36           HA       LEU  36   4.055  -5.889  -3.698
  223   1HB   LEU  36          1HB       LEU  36   5.765  -3.936  -2.130
  224   2HB   LEU  36          2HB       LEU  36   6.453  -5.434  -2.759
  225    HG   LEU  36           HG       LEU  36   5.827  -4.892  -5.039
  226   1HD1  LEU  36          3HD1      LEU  36   4.557  -2.392  -3.846
  227   2HD1  LEU  36          1HD1      LEU  36   4.930  -2.570  -5.577
  228   3HD1  LEU  36          2HD1      LEU  36   3.781  -3.660  -4.825
  229   1HD2  LEU  36          3HD2      LEU  36   8.002  -4.088  -4.226
  230   2HD2  LEU  36          1HD2      LEU  36   7.324  -2.974  -5.422
  231   3HD2  LEU  36          2HD2      LEU  36   7.264  -2.560  -3.696
   
  No H/Q in entry =         231
  Start of MODEL   13
    1   1H    THR   1          2H        THR   1  -9.835  -8.812  -6.087
    2   2H    THR   1          3H        THR   1  -8.265  -8.998  -6.552
    3   3H    THR   1          1H        THR   1  -8.673  -9.365  -5.011
    4    HA   THR   1           HA       THR   1  -8.838  -7.037  -4.507
    5    HB   THR   1           HB       THR   1  -6.583  -6.223  -5.522
    6    HG1  THR   1           HG1      THR   1  -5.776  -7.516  -7.089
    7   1HG2  THR   1          1HG2      THR   1  -6.644  -7.579  -3.359
    8   2HG2  THR   1          2HG2      THR   1  -6.427  -9.048  -4.337
    9   3HG2  THR   1          3HG2      THR   1  -5.190  -7.793  -4.335
   10    H    GLN   2           H        GLN   2  -8.494  -4.695  -5.394
   11    HA   GLN   2           HA       GLN   2  -9.583  -4.308  -8.164
   12   1HB   GLN   2          2HB       GLN   2 -11.133  -3.522  -6.529
   13   2HB   GLN   2          1HB       GLN   2  -9.892  -2.660  -5.617
   14   1HG   GLN   2          1HG       GLN   2 -11.475  -1.267  -7.069
   15   2HG   GLN   2          2HG       GLN   2  -9.769  -0.906  -7.211
   16   1HE2  GLN   2          2HE2      GLN   2  -9.653  -1.763 -10.644
   17   2HE2  GLN   2          1HE2      GLN   2  -8.730  -1.237  -9.219
   18    H    SER   3           H        SER   3  -7.225  -4.916  -8.555
   19    HA   SER   3           HA       SER   3  -5.208  -3.999  -7.131
   20   1HB   SER   3          1HB       SER   3  -5.046  -5.034  -9.962
   21   2HB   SER   3          2HB       SER   3  -3.666  -4.887  -8.864
   22    HG   SER   3           HG       SER   3  -4.833  -6.124  -7.326
   23    H    HIS   4           H        HIS   4  -5.323  -1.726  -6.724
   24    HA   HIS   4           HA       HIS   4  -4.220   0.279  -8.404
   25   1HB   HIS   4          1HB       HIS   4  -4.056  -0.236  -5.410
   26   2HB   HIS   4          2HB       HIS   4  -3.304   1.160  -6.160
   27    HD2  HIS   4           HD2      HIS   4  -4.826   3.320  -6.298
   28    HE1  HIS   4           HE1      HIS   4  -8.589   1.424  -5.858
   29    HE2  HIS   4           HE2      HIS   4  -7.424   3.682  -6.043
   30    H    ALA   5           H        ALA   5  -2.462  -0.174  -9.695
   31    HA   ALA   5           HA       ALA   5  -0.241  -1.833  -8.890
   32   1HB   ALA   5          2HB       ALA   5  -1.103  -1.710 -11.184
   33   2HB   ALA   5          3HB       ALA   5  -0.573  -0.021 -11.310
   34   3HB   ALA   5          1HB       ALA   5   0.623  -1.319 -11.117
   35    H    GLY   6           H        GLY   6  -0.021  -0.284  -6.837
   36   1HA   GLY   6          1HA       GLY   6   2.638   0.721  -6.939
   37   2HA   GLY   6          2HA       GLY   6   1.564   2.117  -7.042
   38    H    GLN   7           H        GLN   7  -0.054   2.352  -5.204
   39    HA   GLN   7           HA       GLN   7   1.323   2.132  -2.660
   40   1HB   GLN   7          1HB       GLN   7  -0.002   4.085  -3.322
   41   2HB   GLN   7          2HB       GLN   7  -1.465   3.111  -3.307
   42   1HG   GLN   7          2HG       GLN   7  -1.184   2.705  -0.864
   43   2HG   GLN   7          1HG       GLN   7   0.364   3.567  -0.906
   44   1HE2  GLN   7          2HE2      GLN   7  -1.770   6.106   0.417
   45   2HE2  GLN   7          1HE2      GLN   7  -0.790   4.735   0.948
   46    H    CYS   8           H        CYS   8   0.906   0.806  -0.894
   47    HA   CYS   8           HA       CYS   8  -0.732  -1.653  -1.278
   48   1HB   CYS   8          1HB       CYS   8   1.518  -1.939  -0.370
   49   2HB   CYS   8          2HB       CYS   8   1.178  -0.790   0.928
   50    H    GLY   9           H        GLY   9  -0.431   0.947   1.106
   51   1HA   GLY   9          1HA       GLY   9  -3.107   1.572   1.755
   52   2HA   GLY   9          2HA       GLY   9  -2.720   0.122   2.688
   53    H    GLY  10           H        GLY  10  -2.062   3.558   2.342
   54   1HA   GLY  10          1HA       GLY  10   0.231   3.630   4.171
   55   2HA   GLY  10          2HA       GLY  10  -0.629   5.020   3.498
   56    H    ILE  11           H        ILE  11   0.359   4.670   6.248
   57    HA   ILE  11           HA       ILE  11  -1.748   4.315   8.129
   58    HB   ILE  11           HB       ILE  11   0.607   6.229   8.196
   59   1HG1  ILE  11          2HG1      ILE  11   0.223   3.433   9.386
   60   2HG1  ILE  11          1HG1      ILE  11   1.247   3.841   8.010
   61   1HG2  ILE  11          2HG2      ILE  11  -1.192   6.934   9.786
   62   2HG2  ILE  11          3HG2      ILE  11  -1.146   5.315  10.514
   63   3HG2  ILE  11          1HG2      ILE  11   0.259   6.398  10.604
   64   1HD1  ILE  11          2HD1      ILE  11   2.538   5.415   9.568
   65   2HD1  ILE  11          3HD1      ILE  11   1.680   4.619  10.906
   66   3HD1  ILE  11          1HD1      ILE  11   2.727   3.673   9.836
   67    H    GLY  12           H        GLY  12  -3.604   5.414   8.466
   68   1HA   GLY  12          2HA       GLY  12  -5.146   7.227   8.404
   69   2HA   GLY  12          1HA       GLY  12  -4.101   8.149   7.332
   70    H    TYR  13           H        TYR  13  -3.665   6.609   5.147
   71    HA   TYR  13           HA       TYR  13  -6.301   6.201   3.913
   72   1HB   TYR  13          1HB       TYR  13  -4.373   7.277   2.774
   73   2HB   TYR  13          2HB       TYR  13  -3.595   5.702   2.675
   74    HD1  TYR  13           HD2      TYR  13  -6.953   4.778   2.110
   75    HD2  TYR  13           HD1      TYR  13  -3.844   7.177   0.284
   76    HE1  TYR  13           HE2      TYR  13  -7.963   4.406  -0.104
   77    HE2  TYR  13           HE1      TYR  13  -4.934   6.857  -1.931
   78    HH   TYR  13           HH       TYR  13  -7.693   4.691  -2.416
   79    H    SER  14           H        SER  14  -6.526   4.597   5.820
   80    HA   SER  14           HA       SER  14  -5.896   1.769   5.148
   81   1HB   SER  14          2HB       SER  14  -5.830   2.582   7.491
   82   2HB   SER  14          1HB       SER  14  -7.566   2.948   7.397
   83    HG   SER  14           HG       SER  14  -7.244   0.833   8.239
   84    H    GLY  15           H        GLY  15  -6.966   2.012   3.021
   85   1HA   GLY  15          2HA       GLY  15  -9.723   1.090   2.953
   86   2HA   GLY  15          1HA       GLY  15  -9.607   2.815   2.576
   87    HA   PRO  16           HA       PRO  16  -9.498   0.419  -1.395
   88   1HB   PRO  16          1HB       PRO  16 -10.613   3.111  -2.223
   89   2HB   PRO  16          2HB       PRO  16 -10.995   1.497  -2.881
   90   1HG   PRO  16          2HG       PRO  16 -12.639   2.574  -1.033
   91   2HG   PRO  16          1HG       PRO  16 -12.099   0.888  -0.785
   92   1HD   PRO  16          1HD       PRO  16 -10.946   3.414   0.462
   93   2HD   PRO  16          2HD       PRO  16 -11.429   1.888   1.256
   94    H    THR  17           H        THR  17  -7.029   0.764  -0.918
   95    HA   THR  17           HA       THR  17  -6.165   1.485  -3.633
   96    HB   THR  17           HB       THR  17  -5.449   3.474  -2.526
   97    HG1  THR  17           HG1      THR  17  -3.335   1.675  -3.051
   98   1HG2  THR  17          2HG2      THR  17  -5.188   2.653  -0.177
   99   2HG2  THR  17          3HG2      THR  17  -3.759   1.720  -0.672
  100   3HG2  THR  17          1HG2      THR  17  -3.750   3.491  -0.772
  101    H    VAL  18           H        VAL  18  -6.831  -0.944  -2.921
  102    HA   VAL  18           HA       VAL  18  -4.521  -2.458  -1.932
  103    HB   VAL  18           HB       VAL  18  -6.767  -2.973  -1.165
  104   1HG1  VAL  18          2HG1      VAL  18  -8.000  -2.629  -3.361
  105   2HG1  VAL  18          3HG1      VAL  18  -7.336  -4.188  -3.889
  106   3HG1  VAL  18          1HG1      VAL  18  -8.414  -4.114  -2.489
  107   1HG2  VAL  18          3HG2      VAL  18  -4.984  -4.660  -1.040
  108   2HG2  VAL  18          1HG2      VAL  18  -6.562  -5.420  -1.299
  109   3HG2  VAL  18          2HG2      VAL  18  -5.420  -5.276  -2.645
  110    H    CYS  19           H        CYS  19  -2.967  -3.236  -3.154
  111    HA   CYS  19           HA       CYS  19  -2.982  -3.231  -6.031
  112   1HB   CYS  19          1HB       CYS  19  -0.638  -3.792  -5.778
  113   2HB   CYS  19          2HB       CYS  19  -1.093  -2.583  -4.590
  114    H    ALA  20           H        ALA  20  -1.122  -5.735  -6.009
  115    HA   ALA  20           HA       ALA  20  -3.134  -7.562  -7.133
  116   1HB   ALA  20          2HB       ALA  20  -1.043  -6.963  -8.309
  117   2HB   ALA  20          3HB       ALA  20  -0.093  -7.707  -7.015
  118   3HB   ALA  20          1HB       ALA  20  -1.160  -8.702  -8.030
  119    H    SER  21           H        SER  21  -2.132 -10.016  -6.787
  120    HA   SER  21           HA       SER  21  -2.517 -10.738  -3.924
  121   1HB   SER  21          1HB       SER  21  -3.548 -12.139  -5.686
  122   2HB   SER  21          2HB       SER  21  -1.931 -12.539  -6.305
  123    HG   SER  21           HG       SER  21  -2.665 -14.124  -4.771
  124    H    GLY  22           H        GLY  22  -0.820 -12.616  -3.349
  125   1HA   GLY  22          2HA       GLY  22   1.494 -13.171  -3.000
  126   2HA   GLY  22          1HA       GLY  22   2.008 -11.628  -3.672
  127    H    THR  23           H        THR  23   0.521  -9.824  -2.230
  128    HA   THR  23           HA       THR  23   0.130  -8.747  -0.287
  129    HB   THR  23           HB       THR  23   0.559 -11.301   1.295
  130    HG1  THR  23           HG1      THR  23  -1.596 -11.752   0.840
  131   1HG2  THR  23          3HG2      THR  23  -1.409  -8.976   1.618
  132   2HG2  THR  23          1HG2      THR  23  -1.292 -10.395   2.676
  133   3HG2  THR  23          2HG2      THR  23   0.021  -9.222   2.630
  134    H    THR  24           H        THR  24   2.713  -8.469  -1.262
  135    HA   THR  24           HA       THR  24   4.353  -7.978   1.178
  136    HB   THR  24           HB       THR  24   6.055  -7.163  -0.341
  137    HG1  THR  24           HG1      THR  24   5.770  -7.056  -2.421
  138   1HG2  THR  24          2HG2      THR  24   6.025  -9.589   0.225
  139   2HG2  THR  24          3HG2      THR  24   5.053  -9.892  -1.235
  140   3HG2  THR  24          1HG2      THR  24   6.704  -9.257  -1.380
  141    H    CYS  25           H        CYS  25   5.251  -5.716   1.383
  142    HA   CYS  25           HA       CYS  25   3.482  -3.503   0.811
  143   1HB   CYS  25          1HB       CYS  25   1.979  -5.150   2.120
  144   2HB   CYS  25          2HB       CYS  25   2.994  -4.827   3.505
  145    H    GLN  26           H        GLN  26   5.571  -2.569   0.601
  146    HA   GLN  26           HA       GLN  26   7.369  -2.255   2.916
  147   1HB   GLN  26          1HB       GLN  26   8.727  -2.783   1.211
  148   2HB   GLN  26          2HB       GLN  26   7.550  -2.395   0.008
  149   1HG   GLN  26          2HG       GLN  26   9.412  -1.120  -0.507
  150   2HG   GLN  26          1HG       GLN  26   8.135  -0.022   0.007
  151   1HE2  GLN  26          1HE2      GLN  26  11.157  -0.443   2.745
  152   2HE2  GLN  26          2HE2      GLN  26  10.390  -1.923   2.138
  153    H    VAL  27           H        VAL  27   8.424  -0.074   3.337
  154    HA   VAL  27           HA       VAL  27   6.418   2.158   3.260
  155    HB   VAL  27           HB       VAL  27   6.162   1.140   5.335
  156   1HG1  VAL  27          1HG2      VAL  27   9.170   1.305   5.808
  157   2HG1  VAL  27          2HG2      VAL  27   7.957   0.880   7.027
  158   3HG1  VAL  27          3HG2      VAL  27   8.194  -0.171   5.626
  159   1HG2  VAL  27          3HG1      VAL  27   6.171   3.613   5.297
  160   2HG2  VAL  27          1HG1      VAL  27   6.625   2.934   6.866
  161   3HG2  VAL  27          2HG1      VAL  27   7.871   3.616   5.815
  162    H    LEU  28           H        LEU  28   7.281   3.509   1.778
  163    HA   LEU  28           HA       LEU  28  10.052   4.382   1.719
  164   1HB   LEU  28          1HB       LEU  28   7.484   5.539   0.533
  165   2HB   LEU  28          2HB       LEU  28   9.059   6.305   0.366
  166    HG   LEU  28           HG       LEU  28   9.958   4.253  -0.730
  167   1HD1  LEU  28          3HD1      LEU  28   7.030   3.401  -0.653
  168   2HD1  LEU  28          1HD1      LEU  28   8.242   2.688  -1.740
  169   3HD1  LEU  28          2HD1      LEU  28   8.420   2.510  -0.001
  170   1HD2  LEU  28          3HD2      LEU  28   9.187   6.217  -2.026
  171   2HD2  LEU  28          1HD2      LEU  28   8.848   4.715  -2.897
  172   3HD2  LEU  28          2HD2      LEU  28   7.536   5.562  -2.057
  173    H    ASN  29           H        ASN  29   7.112   5.782   3.085
  174    HA   ASN  29           HA       ASN  29   8.563   6.823   5.356
  175   1HB   ASN  29          1HB       ASN  29   7.760   9.153   5.214
  176   2HB   ASN  29          2HB       ASN  29   8.767   8.763   3.839
  177   1HD2  ASN  29          1HD2      ASN  29   6.074   9.214   1.530
  178   2HD2  ASN  29          2HD2      ASN  29   7.717   8.586   1.711
  179    HA   PRO  30           HA       PRO  30   5.372   5.037   7.453
  180   1HB   PRO  30          2HB       PRO  30   4.443   6.950   9.378
  181   2HB   PRO  30          1HB       PRO  30   5.757   5.758   9.526
  182   1HG   PRO  30          1HG       PRO  30   5.925   8.663   8.758
  183   2HG   PRO  30          2HG       PRO  30   7.053   7.712   9.760
  184   1HD   PRO  30          2HD       PRO  30   7.646   8.312   7.217
  185   2HD   PRO  30          1HD       PRO  30   8.037   6.688   7.848
  186    H    TYR  31           H        TYR  31   4.142   8.232   6.419
  187    HA   TYR  31           HA       TYR  31   1.360   7.319   6.364
  188   1HB   TYR  31          2HB       TYR  31   2.630   9.892   5.404
  189   2HB   TYR  31          1HB       TYR  31   0.906   9.583   5.562
  190    HD1  TYR  31           HD1      TYR  31  -0.118   9.152   7.845
  191    HD2  TYR  31           HD2      TYR  31   3.979  10.451   7.380
  192    HE1  TYR  31           HE1      TYR  31   0.062   9.500  10.303
  193    HE2  TYR  31           HE2      TYR  31   4.150  10.750   9.852
  194    HH   TYR  31           HH       TYR  31   1.443   9.974  12.025
  195    H    TYR  32           H        TYR  32   3.817   6.632   4.190
  196    HA   TYR  32           HA       TYR  32   1.794   5.950   2.127
  197   1HB   TYR  32          1HB       TYR  32   3.204   8.091   1.613
  198   2HB   TYR  32          2HB       TYR  32   4.503   6.966   1.291
  199    HD1  TYR  32           HD2      TYR  32   2.026   4.883   0.156
  200    HD2  TYR  32           HD1      TYR  32   3.503   8.826  -0.834
  201    HE1  TYR  32           HE2      TYR  32   2.384   4.169  -2.168
  202    HE2  TYR  32           HE1      TYR  32   3.760   8.084  -3.211
  203    HH   TYR  32           HH       TYR  32   3.129   4.805  -4.258
  204    H    SER  33           H        SER  33   1.804   3.780   2.906
  205    HA   SER  33           HA       SER  33   4.230   2.163   2.468
  206   1HB   SER  33          1HB       SER  33   2.944   1.478   4.329
  207   2HB   SER  33          2HB       SER  33   1.463   1.332   3.366
  208    HG   SER  33           HG       SER  33   3.851  -0.183   2.911
  209    H    GLN  34           H        GLN  34   4.718   1.021   0.726
  210    HA   GLN  34           HA       GLN  34   3.036   1.172  -1.731
  211   1HB   GLN  34          1HB       GLN  34   4.991   2.740  -1.541
  212   2HB   GLN  34          2HB       GLN  34   6.055   1.321  -1.515
  213   1HG   GLN  34          1HG       GLN  34   5.157   0.708  -3.801
  214   2HG   GLN  34          2HG       GLN  34   4.158   2.163  -3.772
  215   1HE2  GLN  34          2HE2      GLN  34   6.898   4.279  -4.580
  216   2HE2  GLN  34          1HE2      GLN  34   5.245   4.327  -3.965
  217    H    CYS  35           H        CYS  35   2.854  -0.610  -3.028
  218    HA   CYS  35           HA       CYS  35   3.208  -3.198  -1.755
  219   1HB   CYS  35          1HB       CYS  35   1.178  -2.472  -2.871
  220   2HB   CYS  35          2HB       CYS  35   2.028  -2.353  -4.418
  221    H    LEU  36           H        LEU  36   5.631  -2.866  -1.759
  222    HA   LEU  36           HA       LEU  36   6.810  -4.554  -3.930
  223   1HB   LEU  36          1HB       LEU  36   8.177  -2.451  -2.197
  224   2HB   LEU  36          2HB       LEU  36   9.017  -3.745  -3.048
  225    HG   LEU  36           HG       LEU  36   8.138  -2.902  -5.217
  226   1HD1  LEU  36          1HD2      LEU  36   7.174  -0.584  -3.478
  227   2HD1  LEU  36          2HD2      LEU  36   7.415  -0.456  -5.233
  228   3HD1  LEU  36          3HD2      LEU  36   6.204  -1.560  -4.605
  229   1HD2  LEU  36          1HD1      LEU  36  10.417  -2.338  -4.351
  230   2HD2  LEU  36          2HD1      LEU  36   9.741  -1.053  -5.362
  231   3HD2  LEU  36          3HD1      LEU  36   9.750  -0.875  -3.596
   
  No H/Q in entry =         231
  Start of MODEL   14
    1   1H    THR   1          3H        THR   1  -1.367 -13.348 -10.740
    2   2H    THR   1          1H        THR   1  -2.006 -13.470  -9.226
    3   3H    THR   1          2H        THR   1  -3.021 -13.308 -10.503
    4    HA   THR   1           HA       THR   1  -2.353 -11.050 -10.791
    5    HB   THR   1           HB       THR   1  -2.678 -10.215  -8.266
    6    HG1  THR   1           HG1      THR   1  -3.086 -11.786  -6.890
    7   1HG2  THR   1          3HG2      THR   1  -4.854 -11.878  -9.613
    8   2HG2  THR   1          1HG2      THR   1  -5.063 -10.695  -8.319
    9   3HG2  THR   1          2HG2      THR   1  -4.525 -10.159  -9.907
   10    H    GLN   2           H        GLN   2  -1.204  -9.173 -10.009
   11    HA   GLN   2           HA       GLN   2   0.922  -9.090  -8.226
   12   1HB   GLN   2          2HB       GLN   2   2.089 -10.393 -10.057
   13   2HB   GLN   2          1HB       GLN   2   1.851  -9.038 -11.152
   14   1HG   GLN   2          1HG       GLN   2   3.293  -8.809  -8.454
   15   2HG   GLN   2          2HG       GLN   2   4.129  -9.345  -9.914
   16   1HE2  GLN   2          2HE2      GLN   2   3.968  -5.474  -9.312
   17   2HE2  GLN   2          1HE2      GLN   2   3.875  -6.664  -8.051
   18    H    SER   3           H        SER   3   1.716  -6.733  -8.128
   19    HA   SER   3           HA       SER   3  -0.465  -4.949  -9.135
   20   1HB   SER   3          1HB       SER   3   0.989  -5.107  -6.492
   21   2HB   SER   3          2HB       SER   3  -0.222  -3.875  -6.903
   22    HG   SER   3           HG       SER   3  -0.590  -6.613  -6.366
   23    H    HIS   4           H        HIS   4  -0.030  -2.877  -9.805
   24    HA   HIS   4           HA       HIS   4   2.839  -2.049 -10.065
   25   1HB   HIS   4          1HB       HIS   4   0.430  -1.023 -11.588
   26   2HB   HIS   4          2HB       HIS   4   2.125  -0.611 -11.850
   27    HD2  HIS   4           HD2      HIS   4   3.733  -3.130 -12.265
   28    HE1  HIS   4           HE1      HIS   4   0.394  -5.189 -13.855
   29    HE2  HIS   4           HE2      HIS   4   2.920  -5.310 -13.472
   30    H    ALA   5           H        ALA   5   3.486   0.079  -9.691
   31    HA   ALA   5           HA       ALA   5   3.359   0.727  -7.096
   32   1HB   ALA   5          2HB       ALA   5   5.184   1.291  -8.572
   33   2HB   ALA   5          3HB       ALA   5   4.210   2.545  -9.370
   34   3HB   ALA   5          1HB       ALA   5   4.689   2.729  -7.677
   35    H    GLY   6           H        GLY   6   0.894   0.760  -6.877
   36   1HA   GLY   6          1HA       GLY   6  -0.089   3.570  -6.423
   37   2HA   GLY   6          2HA       GLY   6  -1.107   2.191  -6.853
   38    H    GLN   7           H        GLN   7  -1.649   3.776  -4.566
   39    HA   GLN   7           HA       GLN   7  -0.308   2.900  -2.204
   40   1HB   GLN   7          1HB       GLN   7  -1.427   5.087  -2.499
   41   2HB   GLN   7          2HB       GLN   7  -3.000   4.273  -2.433
   42   1HG   GLN   7          1HG       GLN   7  -2.443   3.442  -0.118
   43   2HG   GLN   7          2HG       GLN   7  -0.879   4.262  -0.222
   44   1HE2  GLN   7          2HE2      GLN   7  -4.245   6.458   0.445
   45   2HE2  GLN   7          1HE2      GLN   7  -4.439   4.832  -0.227
   46    H    CYS   8           H        CYS   8  -0.638   1.302  -0.756
   47    HA   CYS   8           HA       CYS   8  -3.165  -0.350  -0.772
   48   1HB   CYS   8          2HB       CYS   8  -1.898  -2.018   0.491
   49   2HB   CYS   8          1HB       CYS   8  -1.164  -1.695  -1.072
   50    H    GLY   9           H        GLY   9  -0.991   1.580   1.256
   51   1HA   GLY   9          1HA       GLY   9  -3.164   2.319   3.091
   52   2HA   GLY   9          2HA       GLY   9  -1.983   1.211   3.800
   53    H    GLY  10           H        GLY  10  -2.523   4.488   2.616
   54   1HA   GLY  10          2HA       GLY  10   0.116   5.407   3.546
   55   2HA   GLY  10          1HA       GLY  10  -1.186   6.438   2.950
   56    H    ILE  11           H        ILE  11   0.311   5.332   5.834
   57    HA   ILE  11           HA       ILE  11  -1.840   4.834   7.554
   58    HB   ILE  11           HB       ILE  11   0.858   5.962   8.333
   59   1HG1  ILE  11          2HG1      ILE  11  -0.219   3.092   8.254
   60   2HG1  ILE  11          1HG1      ILE  11   0.906   3.780   7.080
   61   1HG2  ILE  11          2HG2      ILE  11  -0.831   6.282  10.143
   62   2HG2  ILE  11          3HG2      ILE  11  -1.263   4.564  10.033
   63   3HG2  ILE  11          1HG2      ILE  11   0.346   5.062  10.589
   64   1HD1  ILE  11          2HD1      ILE  11   2.553   4.183   8.948
   65   2HD1  ILE  11          3HD1      ILE  11   1.486   3.229  10.008
   66   3HD1  ILE  11          1HD1      ILE  11   2.208   2.486   8.575
   67    H    GLY  12           H        GLY  12  -3.526   6.002   8.074
   68   1HA   GLY  12          1HA       GLY  12  -4.750   8.062   8.728
   69   2HA   GLY  12          2HA       GLY  12  -3.473   9.019   7.979
   70    H    TYR  13           H        TYR  13  -5.108   6.108   6.793
   71    HA   TYR  13           HA       TYR  13  -5.173   7.063   4.129
   72   1HB   TYR  13          1HB       TYR  13  -6.637   4.737   4.004
   73   2HB   TYR  13          2HB       TYR  13  -4.909   4.888   3.872
   74    HD1  TYR  13           HD2      TYR  13  -7.637   4.326   6.433
   75    HD2  TYR  13           HD1      TYR  13  -3.486   3.727   5.373
   76    HE1  TYR  13           HE2      TYR  13  -7.309   2.900   8.448
   77    HE2  TYR  13           HE1      TYR  13  -3.179   2.326   7.408
   78    HH   TYR  13           HH       TYR  13  -5.858   1.671   9.656
   79    H    SER  14           H        SER  14  -6.676   7.922   2.852
   80    HA   SER  14           HA       SER  14  -9.289   8.795   3.790
   81   1HB   SER  14          2HB       SER  14  -7.993  10.107   2.195
   82   2HB   SER  14          1HB       SER  14  -8.049   8.787   1.002
   83    HG   SER  14           HG       SER  14 -10.343   9.015   1.008
   84    H    GLY  15           H        GLY  15  -9.622   6.315   4.397
   85   1HA   GLY  15          1HA       GLY  15 -11.714   5.059   4.045
   86   2HA   GLY  15          2HA       GLY  15 -11.385   5.067   2.316
   87    HA   PRO  16           HA       PRO  16 -10.406   0.868   3.881
   88   1HB   PRO  16          2HB       PRO  16 -10.344   0.481   0.870
   89   2HB   PRO  16          1HB       PRO  16 -10.958  -0.643   2.116
   90   1HG   PRO  16          2HG       PRO  16 -12.716   0.914   0.791
   91   2HG   PRO  16          1HG       PRO  16 -12.834   0.835   2.573
   92   1HD   PRO  16          2HD       PRO  16 -11.498   2.983   0.891
   93   2HD   PRO  16          1HD       PRO  16 -12.641   3.165   2.256
   94    H    THR  17           H        THR  17  -8.514  -0.155   4.301
   95    HA   THR  17           HA       THR  17  -6.006   0.623   2.852
   96    HB   THR  17           HB       THR  17  -6.058   1.227   5.177
   97    HG1  THR  17           HG1      THR  17  -4.190  -0.138   3.918
   98   1HG2  THR  17          3HG2      THR  17  -7.453  -0.747   6.062
   99   2HG2  THR  17          1HG2      THR  17  -5.955  -1.694   6.010
  100   3HG2  THR  17          2HG2      THR  17  -6.047  -0.255   7.018
  101    H    VAL  18           H        VAL  18  -6.746  -0.847   1.116
  102    HA   VAL  18           HA       VAL  18  -5.937  -3.664   1.558
  103    HB   VAL  18           HB       VAL  18  -8.302  -3.466   2.274
  104   1HG1  VAL  18          2HG1      VAL  18  -9.029  -1.694   0.652
  105   2HG1  VAL  18          3HG1      VAL  18  -8.975  -2.901  -0.645
  106   3HG1  VAL  18          1HG1      VAL  18 -10.103  -3.099   0.705
  107   1HG2  VAL  18          3HG2      VAL  18  -7.421  -5.613   1.446
  108   2HG2  VAL  18          1HG2      VAL  18  -9.143  -5.410   1.092
  109   3HG2  VAL  18          2HG2      VAL  18  -7.953  -5.204  -0.201
  110    H    CYS  19           H        CYS  19  -5.397  -4.840  -0.214
  111    HA   CYS  19           HA       CYS  19  -5.688  -3.774  -2.954
  112   1HB   CYS  19          1HB       CYS  19  -3.462  -2.966  -1.952
  113   2HB   CYS  19          2HB       CYS  19  -2.970  -4.661  -1.911
  114    H    ALA  20           H        ALA  20  -4.796  -5.571  -4.566
  115    HA   ALA  20           HA       ALA  20  -6.251  -8.003  -4.083
  116   1HB   ALA  20          2HB       ALA  20  -5.987  -6.980  -6.313
  117   2HB   ALA  20          3HB       ALA  20  -4.241  -7.286  -6.257
  118   3HB   ALA  20          1HB       ALA  20  -5.383  -8.645  -6.301
  119    H    SER  21           H        SER  21  -5.511 -10.151  -3.920
  120    HA   SER  21           HA       SER  21  -3.133 -10.657  -2.356
  121   1HB   SER  21          1HB       SER  21  -5.156 -12.027  -2.163
  122   2HB   SER  21          2HB       SER  21  -4.924 -12.640  -3.816
  123    HG   SER  21           HG       SER  21  -4.009 -13.995  -2.059
  124    H    GLY  22           H        GLY  22  -1.633 -12.490  -2.991
  125   1HA   GLY  22          2HA       GLY  22   0.143 -13.227  -4.472
  126   2HA   GLY  22          1HA       GLY  22  -0.259 -11.950  -5.617
  127    H    THR  23           H        THR  23  -0.402  -9.754  -4.118
  128    HA   THR  23           HA       THR  23   2.381  -9.006  -3.571
  129    HB   THR  23           HB       THR  23  -0.255  -7.466  -3.809
  130    HG1  THR  23           HG1      THR  23   1.837  -7.353  -5.672
  131   1HG2  THR  23          3HG2      THR  23   2.577  -6.519  -3.370
  132   2HG2  THR  23          1HG2      THR  23   1.462  -5.556  -4.336
  133   3HG2  THR  23          2HG2      THR  23   1.074  -5.920  -2.656
  134    H    THR  24           H        THR  24   3.051  -7.780  -1.673
  135    HA   THR  24           HA       THR  24   1.147  -7.647   0.645
  136    HB   THR  24           HB       THR  24   2.935  -7.721   2.225
  137    HG1  THR  24           HG1      THR  24   5.066  -8.375   1.283
  138   1HG2  THR  24          2HG2      THR  24   1.999  -9.907   1.460
  139   2HG2  THR  24          3HG2      THR  24   3.323 -10.034   0.282
  140   3HG2  THR  24          1HG2      THR  24   3.678 -10.022   2.022
  141    H    CYS  25           H        CYS  25   1.497  -5.825   2.142
  142    HA   CYS  25           HA       CYS  25   1.393  -3.417   0.537
  143   1HB   CYS  25          1HB       CYS  25  -0.320  -4.016   2.173
  144   2HB   CYS  25          2HB       CYS  25   0.835  -3.851   3.499
  145    H    GLN  26           H        GLN  26   3.432  -2.777  -0.111
  146    HA   GLN  26           HA       GLN  26   5.679  -2.930   1.742
  147   1HB   GLN  26          1HB       GLN  26   6.649  -3.819  -0.004
  148   2HB   GLN  26          2HB       GLN  26   5.276  -3.476  -1.011
  149   1HG   GLN  26          2HG       GLN  26   7.178  -2.615  -2.125
  150   2HG   GLN  26          1HG       GLN  26   6.198  -1.247  -1.589
  151   1HE2  GLN  26          1HE2      GLN  26   9.622  -1.772   0.596
  152   2HE2  GLN  26          2HE2      GLN  26   8.722  -3.241   0.164
  153    H    VAL  27           H        VAL  27   6.715  -1.374   2.685
  154    HA   VAL  27           HA       VAL  27   5.754   1.364   2.567
  155    HB   VAL  27           HB       VAL  27   5.902   0.277   4.648
  156   1HG1  VAL  27          3HG2      VAL  27   7.790  -1.315   4.311
  157   2HG1  VAL  27          1HG2      VAL  27   8.932   0.041   4.374
  158   3HG1  VAL  27          2HG2      VAL  27   7.957  -0.370   5.789
  159   1HG2  VAL  27          2HG1      VAL  27   6.253   2.701   4.570
  160   2HG2  VAL  27          3HG1      VAL  27   7.083   1.943   5.944
  161   3HG2  VAL  27          1HG1      VAL  27   8.016   2.464   4.534
  162    H    LEU  28           H        LEU  28   6.525   2.825   1.154
  163    HA   LEU  28           HA       LEU  28   9.375   3.082   0.415
  164   1HB   LEU  28          1HB       LEU  28   6.948   4.891   0.001
  165   2HB   LEU  28          2HB       LEU  28   8.595   5.379  -0.372
  166    HG   LEU  28           HG       LEU  28   8.840   3.395  -1.884
  167   1HD1  LEU  28          3HD1      LEU  28   5.826   3.196  -1.456
  168   2HD1  LEU  28          1HD1      LEU  28   6.712   2.416  -2.784
  169   3HD1  LEU  28          2HD1      LEU  28   7.029   1.933  -1.124
  170   1HD2  LEU  28          1HD2      LEU  28   8.419   5.673  -2.732
  171   2HD2  LEU  28          2HD2      LEU  28   7.604   4.467  -3.737
  172   3HD2  LEU  28          3HD2      LEU  28   6.667   5.425  -2.575
  173    H    ASN  29           H        ASN  29   7.147   4.813   2.546
  174    HA   ASN  29           HA       ASN  29   9.092   4.896   4.657
  175   1HB   ASN  29          1HB       ASN  29   9.037   7.295   5.140
  176   2HB   ASN  29          2HB       ASN  29   9.739   7.024   3.550
  177   1HD2  ASN  29          1HD2      ASN  29   6.991   8.644   1.872
  178   2HD2  ASN  29          2HD2      ASN  29   8.267   7.442   1.629
  179    HA   PRO  30           HA       PRO  30   5.679   3.512   6.962
  180   1HB   PRO  30          2HB       PRO  30   6.052   6.025   8.621
  181   2HB   PRO  30          1HB       PRO  30   5.516   4.409   9.184
  182   1HG   PRO  30          2HG       PRO  30   8.152   5.048   9.302
  183   2HG   PRO  30          1HG       PRO  30   7.660   3.445   8.694
  184   1HD   PRO  30          1HD       PRO  30   8.694   5.784   7.140
  185   2HD   PRO  30          2HD       PRO  30   8.811   4.034   6.785
  186    H    TYR  31           H        TYR  31   5.068   7.063   6.600
  187    HA   TYR  31           HA       TYR  31   2.202   6.658   6.519
  188   1HB   TYR  31          2HB       TYR  31   3.817   9.157   5.934
  189   2HB   TYR  31          1HB       TYR  31   2.066   9.058   6.087
  190    HD1  TYR  31           HD1      TYR  31   5.258   8.807   7.992
  191    HD2  TYR  31           HD2      TYR  31   0.962   8.855   8.226
  192    HE1  TYR  31           HE1      TYR  31   5.384   8.516  10.464
  193    HE2  TYR  31           HE2      TYR  31   1.086   8.483  10.690
  194    HH   TYR  31           HH       TYR  31   4.219   8.067  12.341
  195    H    TYR  32           H        TYR  32   4.488   6.493   3.916
  196    HA   TYR  32           HA       TYR  32   2.146   5.934   2.142
  197   1HB   TYR  32          2HB       TYR  32   3.933   7.713   1.466
  198   2HB   TYR  32          1HB       TYR  32   4.918   6.340   1.032
  199    HD1  TYR  32           HD1      TYR  32   2.446   4.579  -0.125
  200    HD2  TYR  32           HD2      TYR  32   3.621   8.721  -0.592
  201    HE1  TYR  32           HE1      TYR  32   1.786   4.512  -2.508
  202    HE2  TYR  32           HE2      TYR  32   2.734   8.682  -2.912
  203    HH   TYR  32           HH       TYR  32   1.692   5.690  -4.521
  204    H    SER  33           H        SER  33   1.691   3.821   2.558
  205    HA   SER  33           HA       SER  33   3.797   1.896   1.693
  206   1HB   SER  33          1HB       SER  33   2.993   1.362   3.943
  207   2HB   SER  33          2HB       SER  33   1.366   1.091   3.289
  208    HG   SER  33           HG       SER  33   2.774  -0.857   3.302
  209    H    GLN  34           H        GLN  34   3.562   0.758  -0.021
  210    HA   GLN  34           HA       GLN  34   1.425   1.399  -1.989
  211   1HB   GLN  34          1HB       GLN  34   3.598   2.717  -2.056
  212   2HB   GLN  34          2HB       GLN  34   4.439   1.203  -2.395
  213   1HG   GLN  34          1HG       GLN  34   3.102   1.006  -4.516
  214   2HG   GLN  34          2HG       GLN  34   2.283   2.520  -4.121
  215   1HE2  GLN  34          2HE2      GLN  34   4.920   4.459  -5.447
  216   2HE2  GLN  34          1HE2      GLN  34   3.358   4.538  -4.642
  217    H    CYS  35           H        CYS  35   1.162  -0.151  -3.737
  218    HA   CYS  35           HA       CYS  35   1.461  -2.953  -2.806
  219   1HB   CYS  35          1HB       CYS  35  -0.771  -1.786  -3.209
  220   2HB   CYS  35          2HB       CYS  35  -0.403  -1.846  -4.923
  221    H    LEU  36           H        LEU  36   3.375  -3.846  -3.621
  222    HA   LEU  36           HA       LEU  36   3.810  -3.929  -6.597
  223   1HB   LEU  36          1HB       LEU  36   5.765  -3.885  -4.281
  224   2HB   LEU  36          2HB       LEU  36   6.175  -4.493  -5.882
  225    HG   LEU  36           HG       LEU  36   5.647  -2.280  -6.889
  226   1HD1  LEU  36          3HD1      LEU  36   5.285  -1.410  -3.985
  227   2HD1  LEU  36          1HD1      LEU  36   5.745  -0.292  -5.275
  228   3HD1  LEU  36          2HD1      LEU  36   4.204  -1.129  -5.366
  229   1HD2  LEU  36          3HD2      LEU  36   7.956  -2.999  -6.254
  230   2HD2  LEU  36          1HD2      LEU  36   7.749  -1.246  -6.173
  231   3HD2  LEU  36          2HD2      LEU  36   7.750  -2.203  -4.680
   
  No H/Q in entry =         231
  Start of MODEL   15
    1   1H    THR   1          1H        THR   1  -2.698 -12.274 -10.905
    2   2H    THR   1          2H        THR   1  -1.131 -11.933 -10.546
    3   3H    THR   1          3H        THR   1  -1.923 -13.062  -9.651
    4    HA   THR   1           HA       THR   1  -3.176 -11.394  -8.563
    5    HB   THR   1           HB       THR   1  -1.331  -9.714  -7.873
    6    HG1  THR   1           HG1      THR   1   0.667 -10.097  -8.867
    7   1HG2  THR   1          3HG2      THR   1  -0.550 -12.692  -7.942
    8   2HG2  THR   1          1HG2      THR   1   0.190 -11.452  -6.941
    9   3HG2  THR   1          2HG2      THR   1  -1.503 -11.884  -6.680
   10    H    GLN   2           H        GLN   2  -3.335  -8.775  -8.352
   11    HA   GLN   2           HA       GLN   2  -4.327  -7.805 -11.025
   12   1HB   GLN   2          1HB       GLN   2  -5.681  -7.943  -8.307
   13   2HB   GLN   2          2HB       GLN   2  -6.107  -6.687  -9.467
   14   1HG   GLN   2          1HG       GLN   2  -7.667  -8.418  -9.815
   15   2HG   GLN   2          2HG       GLN   2  -6.586  -8.390 -11.204
   16   1HE2  GLN   2          2HE2      GLN   2  -6.913 -11.922 -10.649
   17   2HE2  GLN   2          1HE2      GLN   2  -7.663 -10.570 -11.497
   18    H    SER   3           H        SER   3  -3.422  -6.569  -7.804
   19    HA   SER   3           HA       SER   3  -2.471  -4.507  -7.216
   20   1HB   SER   3          1HB       SER   3  -0.086  -4.697  -7.918
   21   2HB   SER   3          2HB       SER   3  -0.790  -6.209  -7.377
   22    HG   SER   3           HG       SER   3  -0.431  -5.401 -10.076
   23    H    HIS   4           H        HIS   4  -4.293  -3.491  -8.848
   24    HA   HIS   4           HA       HIS   4  -3.001  -1.540 -10.667
   25   1HB   HIS   4          1HB       HIS   4  -5.023  -2.797 -11.327
   26   2HB   HIS   4          2HB       HIS   4  -5.928  -2.040 -10.015
   27    HD2  HIS   4           HD2      HIS   4  -4.896  -1.371 -13.649
   28    HE1  HIS   4           HE1      HIS   4  -6.655   2.182 -12.142
   29    HE2  HIS   4           HE2      HIS   4  -5.848   1.014 -14.259
   30    H    ALA   5           H        ALA   5  -5.250  -1.329  -7.863
   31    HA   ALA   5           HA       ALA   5  -4.764   1.452  -7.303
   32   1HB   ALA   5          2HB       ALA   5  -6.835   0.361  -6.676
   33   2HB   ALA   5          3HB       ALA   5  -5.972  -0.743  -5.582
   34   3HB   ALA   5          1HB       ALA   5  -6.021   0.996  -5.238
   35    H    GLY   6           H        GLY   6  -2.561   1.822  -7.133
   36   1HA   GLY   6          1HA       GLY   6  -0.461   0.618  -6.130
   37   2HA   GLY   6          2HA       GLY   6  -0.659   2.347  -5.857
   38    H    GLN   7           H        GLN   7  -2.492   2.474  -3.776
   39    HA   GLN   7           HA       GLN   7  -0.750   1.853  -1.536
   40   1HB   GLN   7          1HB       GLN   7  -2.097   3.946  -1.715
   41   2HB   GLN   7          2HB       GLN   7  -3.558   2.969  -1.496
   42   1HG   GLN   7          1HG       GLN   7  -2.394   2.103   0.708
   43   2HG   GLN   7          2HG       GLN   7  -1.238   3.408   0.451
   44   1HE2  GLN   7          2HE2      GLN   7  -5.142   4.352   1.424
   45   2HE2  GLN   7          1HE2      GLN   7  -4.854   2.991   0.342
   46    H    CYS   8           H        CYS   8  -0.646  -0.079  -0.540
   47    HA   CYS   8           HA       CYS   8  -2.822  -2.045  -0.427
   48   1HB   CYS   8          2HB       CYS   8  -1.356  -3.230   1.178
   49   2HB   CYS   8          1HB       CYS   8  -0.585  -2.871  -0.360
   50    H    GLY   9           H        GLY   9  -1.370   0.136   2.002
   51   1HA   GLY   9          1HA       GLY   9  -3.807   0.877   3.331
   52   2HA   GLY   9          2HA       GLY   9  -3.111  -0.524   4.151
   53    H    GLY  10           H        GLY  10  -2.619   2.913   3.411
   54   1HA   GLY  10          1HA       GLY  10  -0.106   3.250   4.775
   55   2HA   GLY  10          2HA       GLY  10  -1.291   4.496   4.360
   56    H    ILE  11           H        ILE  11   0.360   4.144   6.860
   57    HA   ILE  11           HA       ILE  11  -1.531   3.724   9.067
   58    HB   ILE  11           HB       ILE  11   1.048   5.320   9.063
   59   1HG1  ILE  11          2HG1      ILE  11   0.625   2.467  10.070
   60   2HG1  ILE  11          1HG1      ILE  11   1.417   2.888   8.543
   61   1HG2  ILE  11          2HG2      ILE  11  -0.564   5.917  10.916
   62   2HG2  ILE  11          3HG2      ILE  11  -0.624   4.211  11.378
   63   3HG2  ILE  11          1HG2      ILE  11   0.874   5.150  11.537
   64   1HD1  ILE  11          2HD1      ILE  11   3.104   4.248   9.811
   65   2HD1  ILE  11          3HD1      ILE  11   2.414   3.631  11.327
   66   3HD1  ILE  11          1HD1      ILE  11   3.147   2.514  10.176
   67    H    GLY  12           H        GLY  12  -3.351   4.878   8.306
   68   1HA   GLY  12          1HA       GLY  12  -4.760   6.874   8.447
   69   2HA   GLY  12          2HA       GLY  12  -3.323   7.893   8.443
   70    H    TYR  13           H        TYR  13  -4.651   5.287   6.467
   71    HA   TYR  13           HA       TYR  13  -3.376   5.390   4.250
   72   1HB   TYR  13          1HB       TYR  13  -6.146   4.991   3.450
   73   2HB   TYR  13          2HB       TYR  13  -4.793   3.888   3.471
   74    HD1  TYR  13           HD2      TYR  13  -7.655   5.244   5.385
   75    HD2  TYR  13           HD1      TYR  13  -4.482   2.314   5.338
   76    HE1  TYR  13           HE2      TYR  13  -8.841   3.916   7.128
   77    HE2  TYR  13           HE1      TYR  13  -5.621   1.063   7.164
   78    HH   TYR  13           HH       TYR  13  -8.879   1.948   8.261
   79    H    SER  14           H        SER  14  -2.610   6.921   2.989
   80    HA   SER  14           HA       SER  14  -4.094   9.263   1.969
   81   1HB   SER  14          1HB       SER  14  -1.336   8.112   1.347
   82   2HB   SER  14          2HB       SER  14  -1.970   9.620   0.677
   83    HG   SER  14           HG       SER  14  -1.980   9.233   3.478
   84    H    GLY  15           H        GLY  15  -5.736   7.403   1.322
   85   1HA   GLY  15          1HA       GLY  15  -6.526   7.207  -1.240
   86   2HA   GLY  15          2HA       GLY  15  -5.150   6.097  -1.285
   87    HA   PRO  16           HA       PRO  16  -8.889   3.775   0.292
   88   1HB   PRO  16          2HB       PRO  16  -9.411   2.038  -1.689
   89   2HB   PRO  16          1HB       PRO  16  -9.854   3.755  -1.827
   90   1HG   PRO  16          1HG       PRO  16  -7.336   2.430  -2.917
   91   2HG   PRO  16          2HG       PRO  16  -8.493   3.439  -3.830
   92   1HD   PRO  16          2HD       PRO  16  -6.204   4.460  -2.725
   93   2HD   PRO  16          1HD       PRO  16  -7.706   5.424  -2.813
   94    H    THR  17           H        THR  17  -8.787   1.848   1.459
   95    HA   THR  17           HA       THR  17  -6.225   0.398   1.647
   96    HB   THR  17           HB       THR  17  -8.776  -0.015   3.261
   97    HG1  THR  17           HG1      THR  17  -6.622   1.759   3.700
   98   1HG2  THR  17          1HG2      THR  17  -5.834  -0.568   3.916
   99   2HG2  THR  17          2HG2      THR  17  -7.213  -0.794   5.007
  100   3HG2  THR  17          3HG2      THR  17  -7.057  -1.801   3.566
  101    H    VAL  18           H        VAL  18  -6.584  -0.482  -0.654
  102    HA   VAL  18           HA       VAL  18  -7.852  -3.139  -0.536
  103    HB   VAL  18           HB       VAL  18  -9.763  -1.674  -0.919
  104   1HG1  VAL  18          2HG1      VAL  18  -8.499   0.076  -2.334
  105   2HG1  VAL  18          3HG1      VAL  18  -8.731  -1.024  -3.699
  106   3HG1  VAL  18          1HG1      VAL  18 -10.135  -0.373  -2.851
  107   1HG2  VAL  18          3HG2      VAL  18  -9.745  -4.005  -1.765
  108   2HG2  VAL  18          1HG2      VAL  18 -10.747  -2.926  -2.756
  109   3HG2  VAL  18          2HG2      VAL  18  -9.143  -3.418  -3.333
  110    H    CYS  19           H        CYS  19  -6.413  -4.465  -1.405
  111    HA   CYS  19           HA       CYS  19  -5.635  -4.181  -4.187
  112   1HB   CYS  19          1HB       CYS  19  -3.913  -2.797  -2.846
  113   2HB   CYS  19          2HB       CYS  19  -3.366  -4.328  -2.162
  114    H    ALA  20           H        ALA  20  -4.478  -6.105  -4.989
  115    HA   ALA  20           HA       ALA  20  -5.117  -8.673  -3.602
  116   1HB   ALA  20          3HB       ALA  20  -3.816  -8.074  -6.293
  117   2HB   ALA  20          1HB       ALA  20  -4.160  -9.695  -5.662
  118   3HB   ALA  20          2HB       ALA  20  -5.497  -8.592  -6.027
  119    H    SER  21           H        SER  21  -3.232 -10.258  -3.351
  120    HA   SER  21           HA       SER  21  -0.867  -9.098  -2.140
  121   1HB   SER  21          1HB       SER  21  -1.668 -11.348  -1.537
  122   2HB   SER  21          2HB       SER  21  -1.334 -11.918  -3.180
  123    HG   SER  21           HG       SER  21   0.584 -11.042  -1.266
  124    H    GLY  22           H        GLY  22   1.241  -8.981  -2.866
  125   1HA   GLY  22          1HA       GLY  22   2.007  -9.667  -5.672
  126   2HA   GLY  22          2HA       GLY  22   2.569  -8.182  -4.903
  127    H    THR  23           H        THR  23   3.816  -8.350  -2.949
  128    HA   THR  23           HA       THR  23   4.495 -10.949  -1.762
  129    HB   THR  23           HB       THR  23   6.291 -10.745  -3.364
  130    HG1  THR  23           HG1      THR  23   7.992 -10.622  -1.603
  131   1HG2  THR  23          1HG2      THR  23   7.114  -8.186  -1.926
  132   2HG2  THR  23          2HG2      THR  23   8.084  -9.054  -3.111
  133   3HG2  THR  23          3HG2      THR  23   6.541  -8.328  -3.600
  134    H    THR  24           H        THR  24   5.074  -7.395  -1.480
  135    HA   THR  24           HA       THR  24   4.528  -7.599   1.449
  136    HB   THR  24           HB       THR  24   6.355  -6.083   1.935
  137    HG1  THR  24           HG1      THR  24   6.582  -5.995  -0.842
  138   1HG2  THR  24          3HG2      THR  24   7.275  -8.524   0.396
  139   2HG2  THR  24          1HG2      THR  24   8.276  -7.614   1.537
  140   3HG2  THR  24          2HG2      THR  24   6.833  -8.467   2.111
  141    H    CYS  25           H        CYS  25   3.453  -6.040   2.455
  142    HA   CYS  25           HA       CYS  25   2.381  -3.723   0.968
  143   1HB   CYS  25          1HB       CYS  25   0.913  -4.921   2.465
  144   2HB   CYS  25          2HB       CYS  25   1.976  -4.618   3.844
  145    H    GLN  26           H        GLN  26   4.305  -2.712   0.405
  146    HA   GLN  26           HA       GLN  26   6.407  -2.357   2.400
  147   1HB   GLN  26          1HB       GLN  26   7.614  -3.195   0.759
  148   2HB   GLN  26          2HB       GLN  26   6.285  -3.098  -0.352
  149   1HG   GLN  26          2HG       GLN  26   8.144  -2.011  -1.350
  150   2HG   GLN  26          1HG       GLN  26   6.911  -0.801  -1.006
  151   1HE2  GLN  26          1HE2      GLN  26  10.170  -0.634   1.473
  152   2HE2  GLN  26          2HE2      GLN  26   9.471  -2.239   1.168
  153    H    VAL  27           H        VAL  27   7.373  -0.593   3.088
  154    HA   VAL  27           HA       VAL  27   5.826   1.885   3.020
  155    HB   VAL  27           HB       VAL  27   6.303   0.925   5.107
  156   1HG1  VAL  27          1HG2      VAL  27   9.304   1.135   4.580
  157   2HG1  VAL  27          2HG2      VAL  27   8.541   0.717   6.115
  158   3HG1  VAL  27          3HG2      VAL  27   8.374  -0.366   4.736
  159   1HG2  VAL  27          2HG1      VAL  27   6.285   3.395   4.953
  160   2HG2  VAL  27          3HG1      VAL  27   7.257   2.773   6.303
  161   3HG2  VAL  27          1HG1      VAL  27   8.061   3.398   4.857
  162    H    LEU  28           H        LEU  28   6.218   3.374   1.445
  163    HA   LEU  28           HA       LEU  28   8.929   4.090   0.528
  164   1HB   LEU  28          1HB       LEU  28   6.206   5.432   0.177
  165   2HB   LEU  28          2HB       LEU  28   7.722   6.128  -0.381
  166    HG   LEU  28           HG       LEU  28   8.141   4.124  -1.798
  167   1HD1  LEU  28          3HD1      LEU  28   5.331   3.367  -0.885
  168   2HD1  LEU  28          1HD1      LEU  28   6.086   2.729  -2.360
  169   3HD1  LEU  28          2HD1      LEU  28   6.807   2.379  -0.793
  170   1HD2  LEU  28          2HD2      LEU  28   7.181   6.202  -2.709
  171   2HD2  LEU  28          3HD2      LEU  28   6.491   4.794  -3.527
  172   3HD2  LEU  28          1HD2      LEU  28   5.545   5.652  -2.297
  173    H    ASN  29           H        ASN  29   6.475   5.855   2.374
  174    HA   ASN  29           HA       ASN  29   8.463   6.644   4.426
  175   1HB   ASN  29          1HB       ASN  29   6.322   8.536   3.354
  176   2HB   ASN  29          2HB       ASN  29   7.479   8.887   4.638
  177   1HD2  ASN  29          1HD2      ASN  29  10.187   9.173   2.182
  178   2HD2  ASN  29          2HD2      ASN  29   9.965   8.358   3.726
  179    HA   PRO  30           HA       PRO  30   5.933   4.410   7.254
  180   1HB   PRO  30          2HB       PRO  30   5.703   7.105   8.630
  181   2HB   PRO  30          1HB       PRO  30   5.794   5.487   9.388
  182   1HG   PRO  30          1HG       PRO  30   8.059   6.958   9.004
  183   2HG   PRO  30          2HG       PRO  30   8.060   5.200   8.707
  184   1HD   PRO  30          1HD       PRO  30   8.181   7.405   6.720
  185   2HD   PRO  30          2HD       PRO  30   8.676   5.694   6.562
  186    H    TYR  31           H        TYR  31   4.247   7.543   6.755
  187    HA   TYR  31           HA       TYR  31   1.596   6.603   7.112
  188   1HB   TYR  31          1HB       TYR  31   2.643   8.972   5.512
  189   2HB   TYR  31          2HB       TYR  31   0.961   8.700   5.944
  190    HD1  TYR  31           HD2      TYR  31   4.317   9.582   7.317
  191    HD2  TYR  31           HD1      TYR  31   0.130   9.030   8.215
  192    HE1  TYR  31           HE2      TYR  31   4.772   9.974   9.741
  193    HE2  TYR  31           HE1      TYR  31   0.588   9.478  10.612
  194    HH   TYR  31           HH       TYR  31   2.195   9.673  12.172
  195    H    TYR  32           H        TYR  32   3.476   6.730   4.061
  196    HA   TYR  32           HA       TYR  32   1.189   5.530   2.552
  197   1HB   TYR  32          1HB       TYR  32   2.163   7.644   1.754
  198   2HB   TYR  32          2HB       TYR  32   3.682   6.825   1.436
  199    HD1  TYR  32           HD2      TYR  32   2.488   4.179   0.119
  200    HD2  TYR  32           HD1      TYR  32   1.643   8.404  -0.425
  201    HE1  TYR  32           HE2      TYR  32   1.564   3.722  -2.084
  202    HE2  TYR  32           HE1      TYR  32   0.932   7.917  -2.748
  203    HH   TYR  32           HH       TYR  32   0.720   6.312  -4.350
  204    H    SER  33           H        SER  33   1.294   3.425   3.088
  205    HA   SER  33           HA       SER  33   3.664   1.822   2.224
  206   1HB   SER  33          1HB       SER  33   2.814   1.296   4.453
  207   2HB   SER  33          2HB       SER  33   1.232   0.880   3.771
  208    HG   SER  33           HG       SER  33   2.813  -0.945   3.970
  209    H    GLN  34           H        GLN  34   3.645   0.580   0.474
  210    HA   GLN  34           HA       GLN  34   1.394   0.827  -1.454
  211   1HB   GLN  34          1HB       GLN  34   3.421   2.286  -1.695
  212   2HB   GLN  34          2HB       GLN  34   4.384   0.842  -1.998
  213   1HG   GLN  34          1HG       GLN  34   3.092   0.403  -4.053
  214   2HG   GLN  34          2HG       GLN  34   1.959   1.700  -3.670
  215   1HE2  GLN  34          2HE2      GLN  34   4.135   4.246  -4.864
  216   2HE2  GLN  34          1HE2      GLN  34   2.665   3.975  -3.918
  217    H    CYS  35           H        CYS  35   1.011  -0.787  -2.955
  218    HA   CYS  35           HA       CYS  35   1.281  -3.495  -1.942
  219   1HB   CYS  35          1HB       CYS  35  -0.797  -2.415  -2.780
  220   2HB   CYS  35          2HB       CYS  35  -0.121  -2.413  -4.408
  221    H    LEU  36           H        LEU  36   3.712  -3.489  -2.224
  222    HA   LEU  36           HA       LEU  36   4.480  -4.702  -4.859
  223   1HB   LEU  36          1HB       LEU  36   6.112  -3.205  -2.785
  224   2HB   LEU  36          2HB       LEU  36   6.835  -4.398  -3.873
  225    HG   LEU  36           HG       LEU  36   5.988  -3.181  -5.846
  226   1HD1  LEU  36          1HD2      LEU  36   5.358  -0.937  -3.860
  227   2HD1  LEU  36          2HD2      LEU  36   5.449  -0.759  -5.625
  228   3HD1  LEU  36          3HD2      LEU  36   4.190  -1.763  -4.918
  229   1HD2  LEU  36          2HD1      LEU  36   8.322  -2.953  -4.942
  230   2HD2  LEU  36          3HD1      LEU  36   7.763  -1.514  -5.816
  231   3HD2  LEU  36          1HD1      LEU  36   7.792  -1.518  -4.036
   
  No H/Q in entry =         231
  Start of MODEL   16
    1   1H    THR   1          3H        THR   1  -1.775 -13.731  -6.588
    2   2H    THR   1          1H        THR   1  -2.663 -14.398  -7.812
    3   3H    THR   1          2H        THR   1  -1.028 -14.108  -7.998
    4    HA   THR   1           HA       THR   1  -2.240 -12.498  -9.206
    5    HB   THR   1           HB       THR   1  -3.829 -11.951  -6.672
    6    HG1  THR   1           HG1      THR   1  -5.430 -13.124  -7.864
    7   1HG2  THR   1          3HG2      THR   1  -4.328 -11.155  -9.605
    8   2HG2  THR   1          1HG2      THR   1  -5.423 -10.852  -8.247
    9   3HG2  THR   1          2HG2      THR   1  -3.873 -10.019  -8.318
   10    H    GLN   2           H        GLN   2  -1.968  -9.993  -9.118
   11    HA   GLN   2           HA       GLN   2   0.394  -9.271  -7.428
   12   1HB   GLN   2          1HB       GLN   2   0.029  -9.023 -10.447
   13   2HB   GLN   2          2HB       GLN   2   1.404  -8.372  -9.557
   14   1HG   GLN   2          1HG       GLN   2   0.767 -11.363  -9.719
   15   2HG   GLN   2          2HG       GLN   2   1.880 -10.478 -10.762
   16   1HE2  GLN   2          2HE2      GLN   2   3.111 -11.161  -6.937
   17   2HE2  GLN   2          1HE2      GLN   2   1.366 -11.190  -7.199
   18    H    SER   3           H        SER   3   1.041  -6.902  -8.154
   19    HA   SER   3           HA       SER   3  -0.890  -5.125  -7.057
   20   1HB   SER   3          1HB       SER   3   0.894  -3.473  -7.324
   21   2HB   SER   3          2HB       SER   3   1.634  -5.000  -6.886
   22    HG   SER   3           HG       SER   3   1.511  -3.834  -9.488
   23    H    HIS   4           H        HIS   4  -1.052  -2.854  -8.183
   24    HA   HIS   4           HA       HIS   4  -1.502  -2.799 -11.059
   25   1HB   HIS   4          1HB       HIS   4  -3.582  -3.867 -10.332
   26   2HB   HIS   4          2HB       HIS   4  -3.918  -2.552  -9.213
   27    HD2  HIS   4           HD2      HIS   4  -4.379  -3.509 -12.910
   28    HE1  HIS   4           HE1      HIS   4  -5.649   0.514 -12.467
   29    HE2  HIS   4           HE2      HIS   4  -5.605  -1.475 -14.060
   30    H    ALA   5           H        ALA   5  -3.298  -0.592  -8.979
   31    HA   ALA   5           HA       ALA   5  -1.685   1.708  -9.411
   32   1HB   ALA   5          2HB       ALA   5  -4.004   1.769  -8.560
   33   2HB   ALA   5          3HB       ALA   5  -3.468   1.036  -7.032
   34   3HB   ALA   5          1HB       ALA   5  -2.902   2.654  -7.488
   35    H    GLY   6           H        GLY   6   0.021   2.636  -8.274
   36   1HA   GLY   6          1HA       GLY   6   1.973   0.962  -7.129
   37   2HA   GLY   6          2HA       GLY   6   1.987   2.723  -7.059
   38    H    GLN   7           H        GLN   7  -0.239   3.200  -5.380
   39    HA   GLN   7           HA       GLN   7   0.929   2.647  -2.773
   40   1HB   GLN   7          1HB       GLN   7  -0.042   4.830  -3.449
   41   2HB   GLN   7          2HB       GLN   7  -1.657   4.091  -3.463
   42   1HG   GLN   7          2HG       GLN   7  -1.394   3.554  -1.006
   43   2HG   GLN   7          1HG       GLN   7   0.246   4.180  -1.112
   44   1HE2  GLN   7          2HE2      GLN   7  -1.448   7.013   0.321
   45   2HE2  GLN   7          1HE2      GLN   7  -0.585   5.550   0.805
   46    H    CYS   8           H        CYS   8   0.190   1.293  -1.143
   47    HA   CYS   8           HA       CYS   8  -2.108  -0.571  -1.656
   48   1HB   CYS   8          1HB       CYS   8  -0.128  -1.729  -1.045
   49   2HB   CYS   8          2HB       CYS   8   0.239  -0.618   0.271
   50    H    GLY   9           H        GLY   9  -0.811   1.307   1.094
   51   1HA   GLY   9          1HA       GLY   9  -3.380   2.374   2.025
   52   2HA   GLY   9          2HA       GLY   9  -2.942   0.819   2.765
   53    H    GLY  10           H        GLY  10  -1.915   4.183   2.472
   54   1HA   GLY  10          1HA       GLY  10   0.338   4.023   4.345
   55   2HA   GLY  10          2HA       GLY  10  -0.426   5.477   3.680
   56    H    ILE  11           H        ILE  11   0.134   6.194   5.912
   57    HA   ILE  11           HA       ILE  11  -1.886   5.534   8.007
   58    HB   ILE  11           HB       ILE  11   0.362   7.571   7.981
   59   1HG1  ILE  11          2HG1      ILE  11   0.143   4.892   9.449
   60   2HG1  ILE  11          1HG1      ILE  11   1.095   5.154   7.990
   61   1HG2  ILE  11          2HG2      ILE  11  -1.498   8.284   9.450
   62   2HG2  ILE  11          3HG2      ILE  11  -1.473   6.702  10.258
   63   3HG2  ILE  11          1HG2      ILE  11  -0.100   7.820  10.399
   64   1HD1  ILE  11          2HD1      ILE  11   2.444   6.898   9.199
   65   2HD1  ILE  11          3HD1      ILE  11   1.619   6.411  10.701
   66   3HD1  ILE  11          1HD1      ILE  11   2.608   5.241   9.815
   67    H    GLY  12           H        GLY  12  -3.759   6.750   8.305
   68   1HA   GLY  12          1HA       GLY  12  -5.261   8.556   8.067
   69   2HA   GLY  12          2HA       GLY  12  -4.158   9.401   6.984
   70    H    TYR  13           H        TYR  13  -3.662   7.819   4.951
   71    HA   TYR  13           HA       TYR  13  -6.159   6.868   3.654
   72   1HB   TYR  13          1HB       TYR  13  -4.229   7.969   2.444
   73   2HB   TYR  13          2HB       TYR  13  -3.272   6.533   2.764
   74    HD1  TYR  13           HD1      TYR  13  -6.545   7.680   1.270
   75    HD2  TYR  13           HD2      TYR  13  -3.347   4.776   1.097
   76    HE1  TYR  13           HE1      TYR  13  -7.330   6.925  -0.976
   77    HE2  TYR  13           HE2      TYR  13  -4.100   4.089  -1.164
   78    HH   TYR  13           HH       TYR  13  -5.733   4.284  -2.692
   79    H    SER  14           H        SER  14  -6.377   5.738   5.794
   80    HA   SER  14           HA       SER  14  -4.469   3.975   6.796
   81   1HB   SER  14          1HB       SER  14  -7.288   4.571   7.655
   82   2HB   SER  14          2HB       SER  14  -6.152   3.595   8.600
   83    HG   SER  14           HG       SER  14  -6.156   5.928   9.089
   84    H    GLY  15           H        GLY  15  -4.175   2.417   5.102
   85   1HA   GLY  15          2HA       GLY  15  -4.003   0.030   5.299
   86   2HA   GLY  15          1HA       GLY  15  -5.711  -0.095   5.724
   87    HA   PRO  16           HA       PRO  16  -4.733  -1.462   1.315
   88   1HB   PRO  16          2HB       PRO  16  -6.681  -3.601   2.197
   89   2HB   PRO  16          1HB       PRO  16  -5.242  -3.748   1.153
   90   1HG   PRO  16          2HG       PRO  16  -5.088  -4.468   3.758
   91   2HG   PRO  16          1HG       PRO  16  -3.782  -3.460   3.070
   92   1HD   PRO  16          2HD       PRO  16  -6.184  -2.538   4.686
   93   2HD   PRO  16          1HD       PRO  16  -4.455  -2.153   4.917
   94    H    THR  17           H        THR  17  -5.844   0.545   0.846
   95    HA   THR  17           HA       THR  17  -8.752   0.439   0.175
   96    HB   THR  17           HB       THR  17  -8.369   2.982  -0.072
   97    HG1  THR  17           HG1      THR  17  -6.077   2.343   1.477
   98   1HG2  THR  17          1HG2      THR  17  -7.967   1.676   2.654
   99   2HG2  THR  17          2HG2      THR  17  -8.496   3.347   2.352
  100   3HG2  THR  17          3HG2      THR  17  -9.523   1.984   1.859
  101    H    VAL  18           H        VAL  18  -5.727   0.351  -1.522
  102    HA   VAL  18           HA       VAL  18  -7.209   0.222  -4.031
  103    HB   VAL  18           HB       VAL  18  -6.713   2.689  -3.548
  104   1HG1  VAL  18          2HG1      VAL  18  -4.320   2.341  -2.823
  105   2HG1  VAL  18          3HG1      VAL  18  -3.927   1.946  -4.510
  106   3HG1  VAL  18          1HG1      VAL  18  -4.504   3.562  -4.107
  107   1HG2  VAL  18          3HG2      VAL  18  -7.411   1.847  -5.776
  108   2HG2  VAL  18          1HG2      VAL  18  -6.403   3.303  -5.802
  109   3HG2  VAL  18          2HG2      VAL  18  -5.696   1.753  -6.241
  110    H    CYS  19           H        CYS  19  -5.801  -0.188  -5.892
  111    HA   CYS  19           HA       CYS  19  -4.235  -1.304  -7.060
  112   1HB   CYS  19          1HB       CYS  19  -2.269  -2.189  -6.370
  113   2HB   CYS  19          2HB       CYS  19  -2.508  -0.895  -5.210
  114    H    ALA  20           H        ALA  20  -3.422  -3.985  -6.864
  115    HA   ALA  20           HA       ALA  20  -6.072  -5.387  -6.916
  116   1HB   ALA  20          3HB       ALA  20  -3.635  -5.749  -8.678
  117   2HB   ALA  20          1HB       ALA  20  -5.030  -6.845  -8.657
  118   3HB   ALA  20          2HB       ALA  20  -5.240  -5.154  -9.136
  119    H    SER  21           H        SER  21  -6.152  -7.590  -6.421
  120    HA   SER  21           HA       SER  21  -5.249  -8.094  -3.861
  121   1HB   SER  21          1HB       SER  21  -7.247  -9.093  -4.854
  122   2HB   SER  21          2HB       SER  21  -6.248 -10.201  -5.812
  123    HG   SER  21           HG       SER  21  -5.435 -10.992  -3.712
  124    H    GLY  22           H        GLY  22  -3.702  -9.133  -2.835
  125   1HA   GLY  22          1HA       GLY  22  -1.863 -11.136  -3.723
  126   2HA   GLY  22          2HA       GLY  22  -1.106  -9.543  -3.900
  127    H    THR  23           H        THR  23  -2.178  -8.211  -1.743
  128    HA   THR  23           HA       THR  23  -2.408  -7.911   0.466
  129    HB   THR  23           HB       THR  23  -1.925 -10.831   1.109
  130    HG1  THR  23           HG1      THR  23  -4.206 -11.029   0.756
  131   1HG2  THR  23          1HG2      THR  23  -2.324  -9.231   3.032
  132   2HG2  THR  23          2HG2      THR  23  -3.837  -8.726   2.261
  133   3HG2  THR  23          3HG2      THR  23  -3.640 -10.389   2.843
  134    H    THR  24           H        THR  24   0.017  -7.552  -0.832
  135    HA   THR  24           HA       THR  24   1.885  -7.428   1.485
  136    HB   THR  24           HB       THR  24   3.710  -7.229  -0.081
  137    HG1  THR  24           HG1      THR  24   3.432  -7.187  -2.153
  138   1HG2  THR  24          2HG2      THR  24   3.124  -9.491   0.745
  139   2HG2  THR  24          3HG2      THR  24   2.101  -9.736  -0.692
  140   3HG2  THR  24          1HG2      THR  24   3.853  -9.521  -0.872
  141    H    CYS  25           H        CYS  25   3.209  -5.396   1.429
  142    HA   CYS  25           HA       CYS  25   1.786  -2.979   0.694
  143   1HB   CYS  25          1HB       CYS  25   0.248  -4.426   2.342
  144   2HB   CYS  25          2HB       CYS  25   1.304  -3.769   3.572
  145    H    GLN  26           H        GLN  26   4.469  -3.555   0.568
  146    HA   GLN  26           HA       GLN  26   6.281  -2.874   2.456
  147   1HB   GLN  26          1HB       GLN  26   6.740  -3.423   0.101
  148   2HB   GLN  26          2HB       GLN  26   6.069  -1.884  -0.426
  149   1HG   GLN  26          2HG       GLN  26   8.547  -1.986  -0.520
  150   2HG   GLN  26          1HG       GLN  26   7.952  -0.663   0.477
  151   1HE2  GLN  26          2HE2      GLN  26   9.381  -3.721   2.773
  152   2HE2  GLN  26          1HE2      GLN  26   8.072  -4.063   1.630
  153    H    VAL  27           H        VAL  27   7.545  -0.943   3.055
  154    HA   VAL  27           HA       VAL  27   5.963   1.599   3.191
  155    HB   VAL  27           HB       VAL  27   5.704   0.492   5.239
  156   1HG1  VAL  27          3HG2      VAL  27   7.595  -1.092   5.271
  157   2HG1  VAL  27          1HG2      VAL  27   8.734   0.244   5.523
  158   3HG1  VAL  27          2HG2      VAL  27   7.530  -0.143   6.760
  159   1HG2  VAL  27          2HG1      VAL  27   6.086   2.949   5.257
  160   2HG2  VAL  27          3HG1      VAL  27   6.527   2.148   6.775
  161   3HG2  VAL  27          1HG1      VAL  27   7.794   2.667   5.653
  162    H    LEU  28           H        LEU  28   6.941   2.993   1.833
  163    HA   LEU  28           HA       LEU  28   9.873   3.238   1.600
  164   1HB   LEU  28          1HB       LEU  28   7.485   4.663   0.379
  165   2HB   LEU  28          2HB       LEU  28   9.098   5.358   0.267
  166    HG   LEU  28           HG       LEU  28   9.985   3.411  -0.855
  167   1HD1  LEU  28          1HD2      LEU  28   7.174   2.246  -0.630
  168   2HD1  LEU  28          2HD2      LEU  28   8.439   1.623  -1.705
  169   3HD1  LEU  28          3HD2      LEU  28   8.679   1.574   0.039
  170   1HD2  LEU  28          2HD1      LEU  28   8.984   5.229  -2.190
  171   2HD2  LEU  28          3HD1      LEU  28   8.754   3.664  -2.981
  172   3HD2  LEU  28          1HD1      LEU  28   7.401   4.432  -2.119
  173    H    ASN  29           H        ASN  29   7.375   5.573   2.565
  174    HA   ASN  29           HA       ASN  29   8.971   6.372   4.935
  175   1HB   ASN  29          1HB       ASN  29   7.508   8.335   3.116
  176   2HB   ASN  29          2HB       ASN  29   8.367   8.741   4.605
  177   1HD2  ASN  29          1HD2      ASN  29  11.597   8.258   2.979
  178   2HD2  ASN  29          2HD2      ASN  29  10.861   7.908   4.539
  179    HA   PRO  30           HA       PRO  30   5.594   4.691   6.881
  180   1HB   PRO  30          2HB       PRO  30   5.085   6.394   9.109
  181   2HB   PRO  30          1HB       PRO  30   6.236   5.044   8.988
  182   1HG   PRO  30          1HG       PRO  30   6.747   7.986   8.531
  183   2HG   PRO  30          2HG       PRO  30   7.768   6.811   9.407
  184   1HD   PRO  30          2HD       PRO  30   8.407   7.522   6.906
  185   2HD   PRO  30          1HD       PRO  30   8.486   5.789   7.350
  186    H    TYR  31           H        TYR  31   4.878   8.134   6.282
  187    HA   TYR  31           HA       TYR  31   2.039   7.853   6.496
  188   1HB   TYR  31          1HB       TYR  31   3.790   9.973   5.236
  189   2HB   TYR  31          2HB       TYR  31   2.035  10.071   5.270
  190    HD1  TYR  31           HD2      TYR  31   5.083  10.094   7.429
  191    HD2  TYR  31           HD1      TYR  31   0.768  10.377   7.344
  192    HE1  TYR  31           HE2      TYR  31   5.046  10.420   9.895
  193    HE2  TYR  31           HE1      TYR  31   0.764  10.773   9.806
  194    HH   TYR  31           HH       TYR  31   3.749  10.654  11.739
  195    H    TYR  32           H        TYR  32   4.003   6.712   3.866
  196    HA   TYR  32           HA       TYR  32   1.507   5.864   2.555
  197   1HB   TYR  32          1HB       TYR  32   1.548   7.435   1.058
  198   2HB   TYR  32          2HB       TYR  32   3.189   7.901   1.418
  199    HD1  TYR  32           HD2      TYR  32   2.023   4.625  -0.068
  200    HD2  TYR  32           HD1      TYR  32   3.939   8.420  -0.751
  201    HE1  TYR  32           HE2      TYR  32   2.934   3.777  -2.226
  202    HE2  TYR  32           HE1      TYR  32   4.714   7.614  -2.982
  203    HH   TYR  32           HH       TYR  32   3.840   4.559  -4.310
  204    H    SER  33           H        SER  33   1.454   3.851   2.709
  205    HA   SER  33           HA       SER  33   3.751   2.060   2.263
  206   1HB   SER  33          1HB       SER  33   2.495   1.448   4.193
  207   2HB   SER  33          2HB       SER  33   0.960   1.672   3.352
  208    HG   SER  33           HG       SER  33   2.822  -0.426   2.922
  209    H    GLN  34           H        GLN  34   3.887   0.666   0.609
  210    HA   GLN  34           HA       GLN  34   2.412   1.323  -1.876
  211   1HB   GLN  34          1HB       GLN  34   4.813   2.100  -1.438
  212   2HB   GLN  34          2HB       GLN  34   5.289   0.398  -1.516
  213   1HG   GLN  34          1HG       GLN  34   4.360   0.341  -3.870
  214   2HG   GLN  34          2HG       GLN  34   3.952   2.048  -3.725
  215   1HE2  GLN  34          2HE2      GLN  34   7.244   3.066  -4.481
  216   2HE2  GLN  34          1HE2      GLN  34   5.642   3.654  -4.036
  217    H    CYS  35           H        CYS  35   1.888  -0.299  -3.362
  218    HA   CYS  35           HA       CYS  35   1.285  -2.933  -2.271
  219   1HB   CYS  35          1HB       CYS  35  -0.237  -1.499  -3.621
  220   2HB   CYS  35          2HB       CYS  35   0.798  -1.744  -5.026
  221    H    LEU  36           H        LEU  36   3.803  -3.025  -2.031
  222    HA   LEU  36           HA       LEU  36   4.760  -5.131  -3.892
  223   1HB   LEU  36          1HB       LEU  36   6.407  -3.019  -2.434
  224   2HB   LEU  36          2HB       LEU  36   7.059  -4.565  -2.969
  225    HG   LEU  36           HG       LEU  36   6.625  -4.023  -5.320
  226   1HD1  LEU  36          3HD1      LEU  36   5.601  -1.423  -4.146
  227   2HD1  LEU  36          1HD1      LEU  36   6.169  -1.525  -5.823
  228   3HD1  LEU  36          2HD1      LEU  36   4.773  -2.474  -5.315
  229   1HD2  LEU  36          2HD2      LEU  36   8.793  -3.447  -4.170
  230   2HD2  LEU  36          3HD2      LEU  36   8.417  -2.352  -5.511
  231   3HD2  LEU  36          1HD2      LEU  36   8.149  -1.827  -3.836
   
  No H/Q in entry =         231
  Start of MODEL   17
    1   1H    THR   1          2H        THR   1  -2.647 -14.387  -8.172
    2   2H    THR   1          3H        THR   1  -3.781 -14.380  -9.390
    3   3H    THR   1          1H        THR   1  -2.155 -14.200  -9.733
    4    HA   THR   1           HA       THR   1  -3.118 -12.138  -9.960
    5    HB   THR   1           HB       THR   1  -4.383 -12.466  -7.217
    6    HG1  THR   1           HG1      THR   1  -6.276 -12.570  -8.678
    7   1HG2  THR   1          3HG2      THR   1  -4.841 -10.380  -9.433
    8   2HG2  THR   1          1HG2      THR   1  -5.757 -10.511  -7.921
    9   3HG2  THR   1          2HG2      THR   1  -4.060 -10.050  -7.876
   10    H    GLN   2           H        GLN   2  -2.255 -10.072  -9.168
   11    HA   GLN   2           HA       GLN   2   0.388 -10.532  -7.853
   12   1HB   GLN   2          1HB       GLN   2  -0.473  -9.440 -10.560
   13   2HB   GLN   2          2HB       GLN   2   0.920  -8.724  -9.773
   14   1HG   GLN   2          1HG       GLN   2   1.760 -10.402 -11.199
   15   2HG   GLN   2          2HG       GLN   2   2.002 -10.936  -9.539
   16   1HE2  GLN   2          2HE2      GLN   2   1.019 -13.967 -11.240
   17   2HE2  GLN   2          1HE2      GLN   2   2.423 -12.951 -10.927
   18    H    SER   3           H        SER   3   1.571  -8.481  -7.421
   19    HA   SER   3           HA       SER   3  -0.055  -6.668  -5.780
   20   1HB   SER   3          1HB       SER   3   2.279  -7.684  -5.188
   21   2HB   SER   3          2HB       SER   3   2.937  -6.415  -6.223
   22    HG   SER   3           HG       SER   3   2.686  -5.846  -3.990
   23    H    HIS   4           H        HIS   4  -0.934  -4.846  -6.646
   24    HA   HIS   4           HA       HIS   4  -0.045  -3.924  -9.347
   25   1HB   HIS   4          1HB       HIS   4  -2.617  -3.698  -7.805
   26   2HB   HIS   4          2HB       HIS   4  -2.236  -2.542  -9.069
   27    HD2  HIS   4           HD2      HIS   4  -3.770  -3.308 -11.093
   28    HE1  HIS   4           HE1      HIS   4  -2.451  -7.333 -11.294
   29    HE2  HIS   4           HE2      HIS   4  -3.838  -5.550 -12.479
   30    H    ALA   5           H        ALA   5   1.840  -2.941  -8.766
   31    HA   ALA   5           HA       ALA   5   2.819  -0.995  -7.385
   32   1HB   ALA   5          2HB       ALA   5   3.796  -1.783  -9.468
   33   2HB   ALA   5          3HB       ALA   5   2.652  -0.797 -10.408
   34   3HB   ALA   5          1HB       ALA   5   3.863  -0.019  -9.366
   35    H    GLY   6           H        GLY   6   1.181   0.021  -6.225
   36   1HA   GLY   6          1HA       GLY   6   0.478   2.769  -6.944
   37   2HA   GLY   6          2HA       GLY   6  -0.896   1.639  -6.899
   38    H    GLN   7           H        GLN   7  -1.513   3.230  -4.999
   39    HA   GLN   7           HA       GLN   7  -0.006   2.919  -2.513
   40   1HB   GLN   7          1HB       GLN   7  -1.415   4.912  -3.116
   41   2HB   GLN   7          2HB       GLN   7  -2.835   3.898  -2.846
   42   1HG   GLN   7          2HG       GLN   7  -2.043   3.526  -0.468
   43   2HG   GLN   7          1HG       GLN   7  -0.631   4.543  -0.816
   44   1HE2  GLN   7          2HE2      GLN   7  -2.730   6.958   0.775
   45   2HE2  GLN   7          1HE2      GLN   7  -1.325   5.915   1.054
   46    H    CYS   8           H        CYS   8  -0.419   1.570  -0.780
   47    HA   CYS   8           HA       CYS   8  -2.319  -0.732  -1.117
   48   1HB   CYS   8          1HB       CYS   8   0.052  -1.284  -0.693
   49   2HB   CYS   8          2HB       CYS   8   0.003  -0.353   0.806
   50    H    GLY   9           H        GLY   9  -1.371   1.736   1.237
   51   1HA   GLY   9          1HA       GLY   9  -3.745   2.599   2.358
   52   2HA   GLY   9          2HA       GLY   9  -3.497   1.048   3.164
   53    H    GLY  10           H        GLY  10  -2.072   4.270   2.671
   54   1HA   GLY  10          1HA       GLY  10   0.232   3.901   4.400
   55   2HA   GLY  10          2HA       GLY  10  -0.419   5.445   3.836
   56    H    ILE  11           H        ILE  11   0.591   4.529   6.559
   57    HA   ILE  11           HA       ILE  11  -1.402   4.379   8.528
   58    HB   ILE  11           HB       ILE  11   1.262   5.835   8.632
   59   1HG1  ILE  11          2HG1      ILE  11   0.476   2.984   9.424
   60   2HG1  ILE  11          1HG1      ILE  11   1.466   3.439   8.033
   61   1HG2  ILE  11          2HG2      ILE  11  -0.282   6.529  10.500
   62   2HG2  ILE  11          3HG2      ILE  11  -0.423   4.820  10.964
   63   3HG2  ILE  11          1HG2      ILE  11   1.136   5.664  11.059
   64   1HD1  ILE  11          2HD1      ILE  11   3.139   4.467   9.653
   65   2HD1  ILE  11          3HD1      ILE  11   2.236   3.656  10.954
   66   3HD1  ILE  11          1HD1      ILE  11   2.990   2.701   9.669
   67    H    GLY  12           H        GLY  12  -3.206   5.629   8.686
   68   1HA   GLY  12          2HA       GLY  12  -4.194   7.824   9.264
   69   2HA   GLY  12          1HA       GLY  12  -3.088   8.605   8.143
   70    H    TYR  13           H        TYR  13  -3.256   7.042   5.867
   71    HA   TYR  13           HA       TYR  13  -6.028   7.442   4.881
   72   1HB   TYR  13          1HB       TYR  13  -3.897   8.053   3.602
   73   2HB   TYR  13          2HB       TYR  13  -3.738   6.336   3.258
   74    HD1  TYR  13           HD1      TYR  13  -6.907   5.844   2.863
   75    HD2  TYR  13           HD2      TYR  13  -4.170   8.873   1.394
   76    HE1  TYR  13           HE1      TYR  13  -8.199   6.010   0.795
   77    HE2  TYR  13           HE2      TYR  13  -5.543   9.049  -0.681
   78    HH   TYR  13           HH       TYR  13  -8.247   6.820  -1.322
   79    H    SER  14           H        SER  14  -6.372   5.858   6.801
   80    HA   SER  14           HA       SER  14  -6.130   2.981   6.208
   81   1HB   SER  14          1HB       SER  14  -7.476   4.498   8.490
   82   2HB   SER  14          2HB       SER  14  -7.225   2.749   8.423
   83    HG   SER  14           HG       SER  14  -4.908   3.267   8.192
   84    H    GLY  15           H        GLY  15  -7.370   3.584   4.083
   85   1HA   GLY  15          1HA       GLY  15 -10.182   2.732   4.273
   86   2HA   GLY  15          2HA       GLY  15  -9.971   4.458   3.944
   87    HA   PRO  16           HA       PRO  16 -10.533   2.126  -0.033
   88   1HB   PRO  16          2HB       PRO  16 -11.701   4.840  -0.686
   89   2HB   PRO  16          1HB       PRO  16 -12.225   3.228  -1.242
   90   1HG   PRO  16          2HG       PRO  16 -13.532   4.374   0.818
   91   2HG   PRO  16          1HG       PRO  16 -13.018   2.672   0.984
   92   1HD   PRO  16          1HD       PRO  16 -11.594   5.144   2.041
   93   2HD   PRO  16          2HD       PRO  16 -12.023   3.641   2.905
   94    H    THR  17           H        THR  17  -8.218   2.106  -0.148
   95    HA   THR  17           HA       THR  17  -7.427   3.201  -2.740
   96    HB   THR  17           HB       THR  17  -6.744   5.009  -1.255
   97    HG1  THR  17           HG1      THR  17  -4.651   5.073  -2.076
   98   1HG2  THR  17          2HG2      THR  17  -6.157   3.551   0.784
   99   2HG2  THR  17          3HG2      THR  17  -4.626   3.193  -0.032
  100   3HG2  THR  17          1HG2      THR  17  -5.037   4.857   0.389
  101    H    VAL  18           H        VAL  18  -8.076   0.769  -2.413
  102    HA   VAL  18           HA       VAL  18  -5.844  -0.935  -1.481
  103    HB   VAL  18           HB       VAL  18  -8.007  -1.139  -0.399
  104   1HG1  VAL  18          2HG1      VAL  18  -9.517  -0.723  -2.369
  105   2HG1  VAL  18          3HG1      VAL  18  -9.093  -2.333  -2.985
  106   3HG1  VAL  18          1HG1      VAL  18  -9.932  -2.170  -1.440
  107   1HG2  VAL  18          3HG2      VAL  18  -6.437  -3.047  -0.432
  108   2HG2  VAL  18          1HG2      VAL  18  -8.127  -3.575  -0.390
  109   3HG2  VAL  18          2HG2      VAL  18  -7.217  -3.666  -1.904
  110    H    CYS  19           H        CYS  19  -4.617  -2.078  -2.766
  111    HA   CYS  19           HA       CYS  19  -5.026  -2.322  -5.646
  112   1HB   CYS  19          1HB       CYS  19  -2.769  -3.238  -5.602
  113   2HB   CYS  19          2HB       CYS  19  -2.847  -1.813  -4.584
  114    H    ALA  20           H        ALA  20  -4.056  -4.586  -6.494
  115    HA   ALA  20           HA       ALA  20  -6.187  -6.507  -6.241
  116   1HB   ALA  20          2HB       ALA  20  -5.086  -6.024  -8.373
  117   2HB   ALA  20          3HB       ALA  20  -3.541  -6.594  -7.726
  118   3HB   ALA  20          1HB       ALA  20  -4.880  -7.734  -7.961
  119    H    SER  21           H        SER  21  -6.085  -8.683  -5.666
  120    HA   SER  21           HA       SER  21  -4.822  -9.338  -3.217
  121   1HB   SER  21          1HB       SER  21  -6.919 -10.308  -3.862
  122   2HB   SER  21          2HB       SER  21  -6.172 -11.145  -5.243
  123    HG   SER  21           HG       SER  21  -6.422 -12.419  -3.205
  124    H    GLY  22           H        GLY  22  -2.867  -9.972  -2.717
  125   1HA   GLY  22          2HA       GLY  22  -1.084 -11.817  -3.815
  126   2HA   GLY  22          1HA       GLY  22  -0.719 -10.274  -4.621
  127    H    THR  23           H        THR  23  -1.051  -8.417  -2.802
  128    HA   THR  23           HA       THR  23  -1.189  -7.602  -0.740
  129    HB   THR  23           HB       THR  23  -0.815 -10.364   0.449
  130    HG1  THR  23           HG1      THR  23  -3.015 -10.660   0.008
  131   1HG2  THR  23          3HG2      THR  23  -2.673  -8.030   1.157
  132   2HG2  THR  23          1HG2      THR  23  -2.580  -9.582   2.011
  133   3HG2  THR  23          2HG2      THR  23  -1.219  -8.468   2.068
  134    H    THR  24           H        THR  24   1.413  -7.561  -1.914
  135    HA   THR  24           HA       THR  24   3.307  -7.487   0.363
  136    HB   THR  24           HB       THR  24   4.894  -6.881  -1.564
  137    HG1  THR  24           HG1      THR  24   4.137  -7.145  -3.546
  138   1HG2  THR  24          3HG2      THR  24   3.542  -9.610  -1.506
  139   2HG2  THR  24          1HG2      THR  24   5.129  -9.243  -2.209
  140   3HG2  THR  24          2HG2      THR  24   4.885  -9.087  -0.462
  141    H    CYS  25           H        CYS  25   2.704  -5.816   1.546
  142    HA   CYS  25           HA       CYS  25   1.880  -3.209   0.418
  143   1HB   CYS  25          1HB       CYS  25   0.590  -4.775   2.007
  144   2HB   CYS  25          2HB       CYS  25   1.709  -4.279   3.261
  145    H    GLN  26           H        GLN  26   4.068  -2.442  -0.149
  146    HA   GLN  26           HA       GLN  26   6.145  -2.495   1.901
  147   1HB   GLN  26          1HB       GLN  26   7.307  -3.257   0.197
  148   2HB   GLN  26          2HB       GLN  26   6.023  -2.919  -0.921
  149   1HG   GLN  26          2HG       GLN  26   8.024  -1.941  -1.748
  150   2HG   GLN  26          1HG       GLN  26   6.872  -0.663  -1.355
  151   1HE2  GLN  26          1HE2      GLN  26  10.074  -0.955   1.190
  152   2HE2  GLN  26          2HE2      GLN  26   9.305  -2.479   0.693
  153    H    VAL  27           H        VAL  27   7.351  -0.880   2.719
  154    HA   VAL  27           HA       VAL  27   6.016   1.759   2.839
  155    HB   VAL  27           HB       VAL  27   6.129   0.551   4.859
  156   1HG1  VAL  27          3HG2      VAL  27   8.082  -0.921   4.557
  157   2HG1  VAL  27          1HG2      VAL  27   9.176   0.468   4.691
  158   3HG1  VAL  27          2HG2      VAL  27   8.190  -0.019   6.070
  159   1HG2  VAL  27          2HG1      VAL  27   6.352   2.998   4.955
  160   2HG2  VAL  27          3HG1      VAL  27   7.096   2.180   6.335
  161   3HG2  VAL  27          1HG1      VAL  27   8.121   2.843   5.052
  162    H    LEU  28           H        LEU  28   6.771   3.266   1.454
  163    HA   LEU  28           HA       LEU  28   9.618   3.702   0.851
  164   1HB   LEU  28          1HB       LEU  28   7.135   5.434   0.423
  165   2HB   LEU  28          2HB       LEU  28   8.772   5.931   0.014
  166    HG   LEU  28           HG       LEU  28   8.983   4.007  -1.548
  167   1HD1  LEU  28          3HD1      LEU  28   6.029   3.619  -0.874
  168   2HD1  LEU  28          1HD1      LEU  28   6.811   2.955  -2.326
  169   3HD1  LEU  28          2HD1      LEU  28   7.329   2.419  -0.737
  170   1HD2  LEU  28          3HD2      LEU  28   8.365   6.273  -2.324
  171   2HD2  LEU  28          1HD2      LEU  28   7.545   5.039  -3.290
  172   3HD2  LEU  28          2HD2      LEU  28   6.649   5.919  -2.037
  173    H    ASN  29           H        ASN  29   7.285   5.773   2.529
  174    HA   ASN  29           HA       ASN  29   9.123   6.114   4.845
  175   1HB   ASN  29          1HB       ASN  29   8.213   8.360   5.231
  176   2HB   ASN  29          2HB       ASN  29   9.016   8.257   3.672
  177   1HD2  ASN  29          1HD2      ASN  29   5.231   9.459   3.686
  178   2HD2  ASN  29          2HD2      ASN  29   6.168   9.386   5.181
  179    HA   PRO  30           HA       PRO  30   6.058   4.212   7.470
  180   1HB   PRO  30          2HB       PRO  30   6.163   6.892   8.907
  181   2HB   PRO  30          1HB       PRO  30   6.001   5.261   9.626
  182   1HG   PRO  30          1HG       PRO  30   8.455   6.392   9.469
  183   2HG   PRO  30          2HG       PRO  30   8.250   4.685   8.989
  184   1HD   PRO  30          1HD       PRO  30   8.564   7.100   7.222
  185   2HD   PRO  30          2HD       PRO  30   9.166   5.431   7.001
  186    H    TYR  31           H        TYR  31   5.157   7.606   6.700
  187    HA   TYR  31           HA       TYR  31   2.276   6.990   6.745
  188   1HB   TYR  31          1HB       TYR  31   3.762   9.579   6.211
  189   2HB   TYR  31          2HB       TYR  31   2.026   9.404   6.398
  190    HD1  TYR  31           HD1      TYR  31   1.024   8.687   8.580
  191    HD2  TYR  31           HD2      TYR  31   5.198   9.705   8.228
  192    HE1  TYR  31           HE1      TYR  31   1.237   8.639  11.051
  193    HE2  TYR  31           HE2      TYR  31   5.373   9.763  10.722
  194    HH   TYR  31           HH       TYR  31   2.584   9.024  12.803
  195    H    TYR  32           H        TYR  32   4.214   6.011   4.448
  196    HA   TYR  32           HA       TYR  32   2.065   6.142   2.435
  197   1HB   TYR  32          1HB       TYR  32   3.802   7.934   1.921
  198   2HB   TYR  32          2HB       TYR  32   4.906   6.630   1.519
  199    HD1  TYR  32           HD1      TYR  32   3.534   4.700  -0.131
  200    HD2  TYR  32           HD2      TYR  32   2.978   8.996  -0.006
  201    HE1  TYR  32           HE1      TYR  32   2.248   4.602  -2.226
  202    HE2  TYR  32           HE2      TYR  32   1.870   8.879  -2.233
  203    HH   TYR  32           HH       TYR  32   1.272   5.787  -3.890
  204    H    SER  33           H        SER  33   1.511   4.066   2.604
  205    HA   SER  33           HA       SER  33   3.513   1.883   2.153
  206   1HB   SER  33          1HB       SER  33   2.101   1.562   4.096
  207   2HB   SER  33          2HB       SER  33   0.636   1.698   3.104
  208    HG   SER  33           HG       SER  33   1.524  -0.523   3.462
  209    H    GLN  34           H        GLN  34   3.639   0.893   0.270
  210    HA   GLN  34           HA       GLN  34   1.771   1.498  -1.959
  211   1HB   GLN  34          1HB       GLN  34   3.948   2.858  -1.694
  212   2HB   GLN  34          2HB       GLN  34   4.806   1.377  -2.111
  213   1HG   GLN  34          1HG       GLN  34   3.584   1.356  -4.310
  214   2HG   GLN  34          2HG       GLN  34   2.708   2.806  -3.828
  215   1HE2  GLN  34          2HE2      GLN  34   5.433   4.981  -4.495
  216   2HE2  GLN  34          1HE2      GLN  34   3.995   4.861  -3.477
  217    H    CYS  35           H        CYS  35   1.291  -0.170  -3.352
  218    HA   CYS  35           HA       CYS  35   1.728  -2.869  -2.390
  219   1HB   CYS  35          1HB       CYS  35  -0.430  -1.846  -3.053
  220   2HB   CYS  35          2HB       CYS  35   0.090  -1.874  -4.736
  221    H    LEU  36           H        LEU  36   3.913  -3.385  -2.825
  222    HA   LEU  36           HA       LEU  36   4.695  -3.988  -5.653
  223   1HB   LEU  36          1HB       LEU  36   6.340  -2.562  -3.519
  224   2HB   LEU  36          2HB       LEU  36   7.075  -3.534  -4.788
  225    HG   LEU  36           HG       LEU  36   5.898  -2.107  -6.510
  226   1HD1  LEU  36          1HD2      LEU  36   5.545  -0.264  -4.090
  227   2HD1  LEU  36          2HD2      LEU  36   5.406   0.237  -5.789
  228   3HD1  LEU  36          3HD2      LEU  36   4.251  -0.905  -5.119
  229   1HD2  LEU  36          1HD1      LEU  36   8.330  -1.970  -5.948
  230   2HD2  LEU  36          2HD1      LEU  36   7.658  -0.403  -6.422
  231   3HD2  LEU  36          3HD1      LEU  36   7.959  -0.756  -4.708
   
  No H/Q in entry =         231
  Start of MODEL   18
    1   1H    THR   1          1H        THR   1  -3.017 -11.233  -9.815
    2   2H    THR   1          2H        THR   1  -3.705 -10.279  -8.638
    3   3H    THR   1          3H        THR   1  -3.828  -9.815 -10.206
    4    HA   THR   1           HA       THR   1  -1.558  -9.179 -10.221
    5    HB   THR   1           HB       THR   1  -1.438  -7.871  -7.905
    6    HG1  THR   1           HG1      THR   1  -3.383  -7.868  -6.863
    7   1HG2  THR   1          2HG2      THR   1  -2.096  -6.797 -10.068
    8   2HG2  THR   1          3HG2      THR   1  -3.779  -7.329  -9.803
    9   3HG2  THR   1          1HG2      THR   1  -2.995  -6.206  -8.672
   10    H    GLN   2           H        GLN   2   0.188 -10.414 -10.197
   11    HA   GLN   2           HA       GLN   2   1.096 -11.837  -7.714
   12   1HB   GLN   2          1HB       GLN   2   1.065 -12.540 -10.677
   13   2HB   GLN   2          2HB       GLN   2   2.241 -13.258  -9.579
   14   1HG   GLN   2          1HG       GLN   2   0.310 -14.722  -9.835
   15   2HG   GLN   2          2HG       GLN   2   0.573 -14.212  -8.171
   16   1HE2  GLN   2          2HE2      GLN   2  -2.951 -13.907  -8.097
   17   2HE2  GLN   2          1HE2      GLN   2  -1.546 -14.801  -7.542
   18    H    SER   3           H        SER   3   2.058  -9.568 -10.143
   19    HA   SER   3           HA       SER   3   4.093  -8.757  -8.202
   20   1HB   SER   3          1HB       SER   3   5.341  -9.308 -10.303
   21   2HB   SER   3          2HB       SER   3   4.340  -8.134 -11.174
   22    HG   SER   3           HG       SER   3   5.180  -6.714  -9.239
   23    H    HIS   4           H        HIS   4   3.602  -6.608  -7.516
   24    HA   HIS   4           HA       HIS   4   2.632  -4.624  -7.290
   25   1HB   HIS   4          1HB       HIS   4   1.409  -4.941 -10.035
   26   2HB   HIS   4          2HB       HIS   4   1.562  -3.471  -9.067
   27    HD2  HIS   4           HD2      HIS   4   4.225  -2.580  -8.600
   28    HE1  HIS   4           HE1      HIS   4   5.892  -4.930 -11.705
   29    HE2  HIS   4           HE2      HIS   4   6.312  -2.946 -10.159
   30    H    ALA   5           H        ALA   5   1.659  -6.082  -5.584
   31    HA   ALA   5           HA       ALA   5  -1.233  -6.561  -5.647
   32   1HB   ALA   5          3HB       ALA   5   0.984  -7.210  -3.697
   33   2HB   ALA   5          1HB       ALA   5  -0.652  -7.779  -3.512
   34   3HB   ALA   5          2HB       ALA   5   0.294  -8.290  -4.918
   35    H    GLY   6           H        GLY   6  -2.290  -4.560  -5.457
   36   1HA   GLY   6          1HA       GLY   6  -1.249  -2.323  -4.397
   37   2HA   GLY   6          2HA       GLY   6  -2.973  -2.552  -4.584
   38    H    GLN   7           H        GLN   7  -1.175  -1.078  -2.715
   39    HA   GLN   7           HA       GLN   7  -1.027  -0.798  -0.375
   40   1HB   GLN   7          1HB       GLN   7  -1.753   1.044  -1.761
   41   2HB   GLN   7          2HB       GLN   7  -3.449   0.569  -1.577
   42   1HG   GLN   7          1HG       GLN   7  -3.360   1.030   0.841
   43   2HG   GLN   7          2HG       GLN   7  -1.633   1.335   0.756
   44   1HE2  GLN   7          2HE2      GLN   7  -3.629   4.545   0.754
   45   2HE2  GLN   7          1HE2      GLN   7  -3.890   3.088   1.704
   46    H    CYS   8           H        CYS   8  -1.297  -2.521   1.007
   47    HA   CYS   8           HA       CYS   8  -3.556  -3.257   2.490
   48   1HB   CYS   8          2HB       CYS   8  -1.967  -3.288   4.418
   49   2HB   CYS   8          1HB       CYS   8  -1.295  -4.026   2.959
   50    H    GLY   9           H        GLY   9  -1.841  -0.151   2.746
   51   1HA   GLY   9          2HA       GLY   9  -3.129   1.888   3.549
   52   2HA   GLY   9          1HA       GLY   9  -3.745   0.856   4.846
   53    H    GLY  10           H        GLY  10  -2.061   3.281   4.969
   54   1HA   GLY  10          1HA       GLY  10   0.239   2.272   6.640
   55   2HA   GLY  10          2HA       GLY  10   0.512   3.541   5.442
   56    H    ILE  11           H        ILE  11   1.213   4.894   7.360
   57    HA   ILE  11           HA       ILE  11  -0.801   5.674   9.306
   58    HB   ILE  11           HB       ILE  11   1.702   7.192   8.521
   59   1HG1  ILE  11          2HG1      ILE  11   1.271   5.195  10.807
   60   2HG1  ILE  11          1HG1      ILE  11   2.148   4.829   9.319
   61   1HG2  ILE  11          2HG2      ILE  11  -0.007   8.549   9.752
   62   2HG2  ILE  11          3HG2      ILE  11  -0.097   7.300  11.001
   63   3HG2  ILE  11          1HG2      ILE  11   1.388   8.244  10.774
   64   1HD1  ILE  11          2HD1      ILE  11   3.759   6.667   9.819
   65   2HD1  ILE  11          3HD1      ILE  11   3.007   6.838  11.421
   66   3HD1  ILE  11          1HD1      ILE  11   3.780   5.314  10.962
   67    H    GLY  12           H        GLY  12  -2.307   7.372   9.220
   68   1HA   GLY  12          1HA       GLY  12  -3.586   9.116   8.320
   69   2HA   GLY  12          2HA       GLY  12  -2.395   9.352   7.044
   70    H    TYR  13           H        TYR  13  -2.299   7.299   5.528
   71    HA   TYR  13           HA       TYR  13  -4.856   6.734   4.220
   72   1HB   TYR  13          1HB       TYR  13  -2.012   5.701   3.948
   73   2HB   TYR  13          2HB       TYR  13  -3.353   5.040   3.027
   74    HD1  TYR  13           HD1      TYR  13  -4.231   8.447   3.036
   75    HD2  TYR  13           HD2      TYR  13  -1.341   5.653   1.419
   76    HE1  TYR  13           HE1      TYR  13  -4.086   9.774   0.948
   77    HE2  TYR  13           HE2      TYR  13  -1.561   6.777  -0.776
   78    HH   TYR  13           HH       TYR  13  -2.117   8.682  -1.813
   79    H    SER  14           H        SER  14  -5.858   6.096   6.291
   80    HA   SER  14           HA       SER  14  -5.577   3.400   7.300
   81   1HB   SER  14          2HB       SER  14  -6.605   5.306   8.522
   82   2HB   SER  14          1HB       SER  14  -7.991   5.237   7.415
   83    HG   SER  14           HG       SER  14  -8.595   3.883   9.038
   84    H    GLY  15           H        GLY  15  -5.349   2.463   5.093
   85   1HA   GLY  15          2HA       GLY  15  -6.497   0.395   4.375
   86   2HA   GLY  15          1HA       GLY  15  -7.969   1.324   4.122
   87    HA   PRO  16           HA       PRO  16  -5.624   0.554   0.194
   88   1HB   PRO  16          2HB       PRO  16  -8.355  -0.286  -0.775
   89   2HB   PRO  16          1HB       PRO  16  -6.784  -1.077  -1.052
   90   1HG   PRO  16          2HG       PRO  16  -8.480  -2.084   0.761
   91   2HG   PRO  16          1HG       PRO  16  -6.750  -1.929   1.196
   92   1HD   PRO  16          1HD       PRO  16  -9.023   0.009   1.808
   93   2HD   PRO  16          2HD       PRO  16  -7.862  -0.744   2.937
   94    H    THR  17           H        THR  17  -5.540   3.113   0.216
   95    HA   THR  17           HA       THR  17  -7.152   4.456  -1.807
   96    HB   THR  17           HB       THR  17  -4.320   5.321  -1.116
   97    HG1  THR  17           HG1      THR  17  -6.698   5.551   0.381
   98   1HG2  THR  17          2HG2      THR  17  -6.892   6.822  -1.800
   99   2HG2  THR  17          3HG2      THR  17  -5.314   7.555  -1.472
  100   3HG2  THR  17          1HG2      THR  17  -5.534   6.557  -2.910
  101    H    VAL  18           H        VAL  18  -6.939   2.372  -3.130
  102    HA   VAL  18           HA       VAL  18  -4.276   1.598  -3.775
  103    HB   VAL  18           HB       VAL  18  -5.985   0.319  -2.584
  104   1HG1  VAL  18          3HG2      VAL  18  -8.018   0.757  -3.962
  105   2HG1  VAL  18          1HG2      VAL  18  -7.286  -0.126  -5.313
  106   3HG1  VAL  18          2HG2      VAL  18  -7.706  -0.979  -3.824
  107   1HG2  VAL  18          2HG1      VAL  18  -4.017  -0.766  -3.641
  108   2HG2  VAL  18          3HG1      VAL  18  -5.396  -1.835  -3.321
  109   3HG2  VAL  18          1HG1      VAL  18  -5.083  -1.292  -4.973
  110    H    CYS  19           H        CYS  19  -3.577   0.346  -5.523
  111    HA   CYS  19           HA       CYS  19  -4.212   1.280  -8.258
  112   1HB   CYS  19          1HB       CYS  19  -2.265  -0.038  -8.882
  113   2HB   CYS  19          2HB       CYS  19  -1.859   0.924  -7.465
  114    H    ALA  20           H        ALA  20  -3.551  -1.725  -9.038
  115    HA   ALA  20           HA       ALA  20  -6.216  -2.952  -8.887
  116   1HB   ALA  20          2HB       ALA  20  -4.683  -3.429 -10.756
  117   2HB   ALA  20          3HB       ALA  20  -3.482  -4.077  -9.624
  118   3HB   ALA  20          1HB       ALA  20  -5.045  -4.904  -9.843
  119    H    SER  21           H        SER  21  -6.542  -5.019  -7.685
  120    HA   SER  21           HA       SER  21  -5.980  -4.705  -4.897
  121   1HB   SER  21          1HB       SER  21  -8.008  -5.718  -5.780
  122   2HB   SER  21          2HB       SER  21  -7.092  -7.107  -6.397
  123    HG   SER  21           HG       SER  21  -8.115  -7.368  -4.232
  124    H    GLY  22           H        GLY  22  -5.392  -6.960  -3.678
  125   1HA   GLY  22          2HA       GLY  22  -4.021  -8.991  -4.027
  126   2HA   GLY  22          1HA       GLY  22  -2.694  -8.004  -4.596
  127    H    THR  23           H        THR  23  -2.867  -5.967  -2.500
  128    HA   THR  23           HA       THR  23  -2.447  -5.473  -0.375
  129    HB   THR  23           HB       THR  23  -3.265  -8.250   0.521
  130    HG1  THR  23           HG1      THR  23  -5.405  -7.445   0.414
  131   1HG2  THR  23          2HG2      THR  23  -2.645  -6.578   2.303
  132   2HG2  THR  23          3HG2      THR  23  -3.851  -5.465   1.628
  133   3HG2  THR  23          1HG2      THR  23  -4.358  -7.003   2.350
  134    H    THR  24           H        THR  24  -0.049  -5.924  -1.554
  135    HA   THR  24           HA       THR  24   1.634  -7.134   0.590
  136    HB   THR  24           HB       THR  24   3.521  -5.925  -0.629
  137    HG1  THR  24           HG1      THR  24   2.550  -5.823  -2.993
  138   1HG2  THR  24          3HG2      THR  24   2.018  -8.161  -2.018
  139   2HG2  THR  24          1HG2      THR  24   3.667  -7.637  -2.412
  140   3HG2  THR  24          2HG2      THR  24   3.305  -8.302  -0.817
  141    H    CYS  25           H        CYS  25   3.286  -5.589   1.591
  142    HA   CYS  25           HA       CYS  25   2.187  -2.950   2.230
  143   1HB   CYS  25          1HB       CYS  25   1.146  -4.915   3.680
  144   2HB   CYS  25          2HB       CYS  25   2.662  -4.807   4.575
  145    H    GLN  26           H        GLN  26   3.592  -1.476   3.179
  146    HA   GLN  26           HA       GLN  26   6.510  -1.959   3.027
  147   1HB   GLN  26          1HB       GLN  26   5.562  -2.359   0.756
  148   2HB   GLN  26          2HB       GLN  26   4.761  -0.789   0.813
  149   1HG   GLN  26          2HG       GLN  26   6.758  -0.933  -0.689
  150   2HG   GLN  26          1HG       GLN  26   6.832   0.369   0.482
  151   1HE2  GLN  26          2HE2      GLN  26   9.306  -2.791   1.319
  152   2HE2  GLN  26          1HE2      GLN  26   7.584  -3.137   1.074
  153    H    VAL  27           H        VAL  27   7.708   0.213   2.618
  154    HA   VAL  27           HA       VAL  27   6.193   2.647   3.407
  155    HB   VAL  27           HB       VAL  27   7.204   1.979   5.424
  156   1HG1  VAL  27          3HG2      VAL  27   8.980   0.423   4.679
  157   2HG1  VAL  27          1HG2      VAL  27   9.934   1.788   4.068
  158   3HG1  VAL  27          2HG2      VAL  27   9.601   1.642   5.798
  159   1HG2  VAL  27          2HG1      VAL  27   7.288   4.362   4.814
  160   2HG2  VAL  27          3HG1      VAL  27   8.558   3.909   5.952
  161   3HG2  VAL  27          1HG1      VAL  27   8.957   4.177   4.246
  162    H    LEU  28           H        LEU  28   6.133   3.668   1.435
  163    HA   LEU  28           HA       LEU  28   8.665   4.251  -0.044
  164   1HB   LEU  28          1HB       LEU  28   5.738   4.926  -0.464
  165   2HB   LEU  28          2HB       LEU  28   6.987   5.937  -1.182
  166    HG   LEU  28           HG       LEU  28   7.978   4.031  -2.342
  167   1HD1  LEU  28          1HD2      LEU  28   5.699   2.415  -1.118
  168   2HD1  LEU  28          2HD2      LEU  28   6.692   1.874  -2.489
  169   3HD1  LEU  28          3HD2      LEU  28   7.447   2.152  -0.921
  170   1HD2  LEU  28          1HD1      LEU  28   4.989   4.383  -2.825
  171   2HD2  LEU  28          2HD1      LEU  28   6.289   5.383  -3.487
  172   3HD2  LEU  28          3HD1      LEU  28   6.143   3.690  -3.982
  173    H    ASN  29           H        ASN  29   6.172   6.222   1.477
  174    HA   ASN  29           HA       ASN  29   8.196   7.432   3.298
  175   1HB   ASN  29          1HB       ASN  29   6.774   9.479   3.461
  176   2HB   ASN  29          2HB       ASN  29   7.460   9.232   1.870
  177   1HD2  ASN  29          1HD2      ASN  29   3.592   9.781   1.986
  178   2HD2  ASN  29          2HD2      ASN  29   4.643  10.266   3.318
  179    HA   PRO  30           HA       PRO  30   5.955   5.387   6.502
  180   1HB   PRO  30          2HB       PRO  30   5.524   7.347   8.484
  181   2HB   PRO  30          1HB       PRO  30   6.994   6.372   8.244
  182   1HG   PRO  30          2HG       PRO  30   6.412   9.177   7.294
  183   2HG   PRO  30          1HG       PRO  30   7.928   8.529   7.974
  184   1HD   PRO  30          2HD       PRO  30   7.646   8.890   5.320
  185   2HD   PRO  30          1HD       PRO  30   8.500   7.454   5.931
  186    H    TYR  31           H        TYR  31   4.446   8.395   5.434
  187    HA   TYR  31           HA       TYR  31   1.733   7.400   6.040
  188   1HB   TYR  31          1HB       TYR  31   2.521   9.971   4.653
  189   2HB   TYR  31          2HB       TYR  31   0.966   9.553   5.344
  190    HD1  TYR  31           HD2      TYR  31   4.464  10.543   6.121
  191    HD2  TYR  31           HD1      TYR  31   0.558   9.719   7.770
  192    HE1  TYR  31           HE2      TYR  31   5.161  11.554   8.283
  193    HE2  TYR  31           HE1      TYR  31   1.277  10.757   9.934
  194    HH   TYR  31           HH       TYR  31   4.548  12.083  10.381
  195    H    TYR  32           H        TYR  32   3.657   6.216   3.793
  196    HA   TYR  32           HA       TYR  32   1.338   5.461   2.235
  197   1HB   TYR  32          2HB       TYR  32   2.528   7.596   1.212
  198   2HB   TYR  32          1HB       TYR  32   3.597   6.404   0.503
  199    HD1  TYR  32           HD1      TYR  32   1.029   4.318   0.196
  200    HD2  TYR  32           HD2      TYR  32   1.755   8.431  -0.891
  201    HE1  TYR  32           HE1      TYR  32  -0.197   3.977  -1.927
  202    HE2  TYR  32           HE2      TYR  32   0.395   8.099  -2.952
  203    HH   TYR  32           HH       TYR  32  -1.198   5.035  -3.686
  204    H    SER  33           H        SER  33   1.494   3.442   2.812
  205    HA   SER  33           HA       SER  33   3.643   1.631   1.795
  206   1HB   SER  33          1HB       SER  33   2.481   0.941   3.885
  207   2HB   SER  33          2HB       SER  33   0.926   1.007   3.058
  208    HG   SER  33           HG       SER  33   1.637  -0.641   1.647
  209    H    GLN  34           H        GLN  34   3.526   0.959  -0.343
  210    HA   GLN  34           HA       GLN  34   1.160   1.887  -1.904
  211   1HB   GLN  34          1HB       GLN  34   3.358   3.015  -2.021
  212   2HB   GLN  34          2HB       GLN  34   4.032   1.599  -2.800
  213   1HG   GLN  34          1HG       GLN  34   1.502   2.579  -4.094
  214   2HG   GLN  34          2HG       GLN  34   2.706   3.853  -3.946
  215   1HE2  GLN  34          2HE2      GLN  34   3.602   2.598  -7.157
  216   2HE2  GLN  34          1HE2      GLN  34   2.603   3.830  -6.375
  217    H    CYS  35           H        CYS  35   2.929   0.163  -4.108
  218    HA   CYS  35           HA       CYS  35   0.914  -2.062  -4.095
  219   1HB   CYS  35          1HB       CYS  35   0.082  -0.075  -5.295
  220   2HB   CYS  35          2HB       CYS  35   1.587   0.038  -6.201
  221    H    LEU  36           H        LEU  36   2.500  -3.710  -3.630
  222    HA   LEU  36           HA       LEU  36   4.884  -3.849  -5.440
  223   1HB   LEU  36          1HB       LEU  36   4.697  -4.995  -2.634
  224   2HB   LEU  36          2HB       LEU  36   6.100  -4.747  -3.646
  225    HG   LEU  36           HG       LEU  36   6.274  -3.151  -1.987
  226   1HD1  LEU  36          2HD1      LEU  36   6.681  -2.212  -4.238
  227   2HD1  LEU  36          3HD1      LEU  36   5.046  -1.530  -4.245
  228   3HD1  LEU  36          1HD1      LEU  36   6.221  -0.988  -3.046
  229   1HD2  LEU  36          2HD2      LEU  36   3.331  -2.404  -2.246
  230   2HD2  LEU  36          3HD2      LEU  36   4.134  -3.253  -0.934
  231   3HD2  LEU  36          1HD2      LEU  36   4.517  -1.555  -1.283
   
  No H/Q in entry =         231
  Start of MODEL   19
    1   1H    THR   1          3H        THR   1  -1.058 -13.075  -7.833
    2   2H    THR   1          1H        THR   1  -2.154 -12.312  -6.896
    3   3H    THR   1          2H        THR   1  -2.610 -13.648  -7.768
    4    HA   THR   1           HA       THR   1  -2.229 -12.524  -9.843
    5    HB   THR   1           HB       THR   1  -4.461 -12.386  -8.970
    6    HG1  THR   1           HG1      THR   1  -5.058 -10.450 -10.075
    7   1HG2  THR   1          3HG2      THR   1  -3.599  -9.828  -7.553
    8   2HG2  THR   1          1HG2      THR   1  -5.287 -10.266  -7.901
    9   3HG2  THR   1          2HG2      THR   1  -4.336 -11.294  -6.849
   10    H    GLN   2           H        GLN   2  -2.608  -9.535 -10.004
   11    HA   GLN   2           HA       GLN   2   0.312  -8.952 -10.051
   12   1HB   GLN   2          2HB       GLN   2  -1.317  -8.863 -12.036
   13   2HB   GLN   2          1HB       GLN   2  -1.896  -7.345 -11.358
   14   1HG   GLN   2          1HG       GLN   2   0.983  -8.052 -12.170
   15   2HG   GLN   2          2HG       GLN   2  -0.135  -7.075 -13.113
   16   1HE2  GLN   2          2HE2      GLN   2   1.962  -5.357 -10.090
   17   2HE2  GLN   2          1HE2      GLN   2   2.125  -7.067 -10.395
   18    H    SER   3           H        SER   3   1.026  -8.164  -8.056
   19    HA   SER   3           HA       SER   3  -0.144  -6.083  -6.439
   20   1HB   SER   3          1HB       SER   3   2.314  -5.829  -5.707
   21   2HB   SER   3          2HB       SER   3   1.487  -7.336  -5.357
   22    HG   SER   3           HG       SER   3   3.666  -7.455  -6.354
   23    H    HIS   4           H        HIS   4  -0.939  -4.638  -8.111
   24    HA   HIS   4           HA       HIS   4   0.821  -3.216  -9.888
   25   1HB   HIS   4          1HB       HIS   4  -1.684  -3.638 -10.072
   26   2HB   HIS   4          2HB       HIS   4  -1.916  -2.318  -8.921
   27    HD2  HIS   4           HD2      HIS   4  -1.660  -2.942 -12.598
   28    HE1  HIS   4           HE1      HIS   4  -0.513   1.115 -12.113
   29    HE2  HIS   4           HE2      HIS   4  -1.256  -0.631 -13.821
   30    H    ALA   5           H        ALA   5   1.873  -1.307  -9.725
   31    HA   ALA   5           HA       ALA   5   2.899  -0.572  -7.187
   32   1HB   ALA   5          1HB       ALA   5   4.160  -0.683  -9.329
   33   2HB   ALA   5          2HB       ALA   5   3.317   0.783  -9.877
   34   3HB   ALA   5          3HB       ALA   5   4.399   0.849  -8.469
   35    H    GLY   6           H        GLY   6   0.251   0.100  -6.903
   36   1HA   GLY   6          1HA       GLY   6   0.143   3.077  -6.529
   37   2HA   GLY   6          2HA       GLY   6  -1.236   1.972  -6.555
   38    H    GLN   7           H        GLN   7  -1.553   3.270  -4.413
   39    HA   GLN   7           HA       GLN   7  -0.015   2.338  -2.078
   40   1HB   GLN   7          1HB       GLN   7  -0.954   4.627  -2.326
   41   2HB   GLN   7          2HB       GLN   7  -2.567   3.924  -2.293
   42   1HG   GLN   7          2HG       GLN   7  -2.140   3.131   0.050
   43   2HG   GLN   7          1HG       GLN   7  -0.502   3.813  -0.045
   44   1HE2  GLN   7          2HE2      GLN   7  -2.075   6.589   1.553
   45   2HE2  GLN   7          1HE2      GLN   7  -1.004   5.225   1.839
   46    H    CYS   8           H        CYS   8  -0.789   0.867  -0.461
   47    HA   CYS   8           HA       CYS   8  -2.866  -1.085  -1.358
   48   1HB   CYS   8          2HB       CYS   8  -1.990  -2.520   0.425
   49   2HB   CYS   8          1HB       CYS   8  -0.789  -2.050  -0.761
   50    H    GLY   9           H        GLY   9  -2.439   1.197   1.238
   51   1HA   GLY   9          1HA       GLY   9  -4.630   1.980   2.399
   52   2HA   GLY   9          2HA       GLY   9  -4.910   0.263   2.691
   53    H    GLY  10           H        GLY  10  -2.626   2.912   3.331
   54   1HA   GLY  10          1HA       GLY  10  -0.982   1.169   5.132
   55   2HA   GLY  10          2HA       GLY  10  -0.461   2.621   4.277
   56    H    ILE  11           H        ILE  11   0.420   2.501   6.716
   57    HA   ILE  11           HA       ILE  11  -0.791   3.376   8.974
   58    HB   ILE  11           HB       ILE  11   1.722   4.673   7.854
   59   1HG1  ILE  11          2HG1      ILE  11   1.478   2.258   9.713
   60   2HG1  ILE  11          1HG1      ILE  11   1.911   2.170   8.002
   61   1HG2  ILE  11          2HG2      ILE  11   0.693   5.920   9.789
   62   2HG2  ILE  11          3HG2      ILE  11   0.721   4.422  10.736
   63   3HG2  ILE  11          1HG2      ILE  11   2.226   5.214  10.228
   64   1HD1  ILE  11          2HD1      ILE  11   3.945   3.528   8.422
   65   2HD1  ILE  11          3HD1      ILE  11   3.586   3.519  10.160
   66   3HD1  ILE  11          1HD1      ILE  11   3.918   2.006   9.319
   67    H    GLY  12           H        GLY  12  -2.377   4.828   9.359
   68   1HA   GLY  12          2HA       GLY  12  -3.331   6.957   9.584
   69   2HA   GLY  12          1HA       GLY  12  -2.211   7.645   8.418
   70    H    TYR  13           H        TYR  13  -2.658   6.104   6.132
   71    HA   TYR  13           HA       TYR  13  -5.397   6.957   5.351
   72   1HB   TYR  13          1HB       TYR  13  -3.346   7.427   4.002
   73   2HB   TYR  13          2HB       TYR  13  -3.348   5.738   3.515
   74    HD1  TYR  13           HD2      TYR  13  -6.519   5.464   3.179
   75    HD2  TYR  13           HD1      TYR  13  -3.743   8.576   1.980
   76    HE1  TYR  13           HE2      TYR  13  -7.872   5.910   1.205
   77    HE2  TYR  13           HE1      TYR  13  -5.168   9.011  -0.018
   78    HH   TYR  13           HH       TYR  13  -7.896   6.876  -0.856
   79    H    SER  14           H        SER  14  -6.101   5.406   7.054
   80    HA   SER  14           HA       SER  14  -6.528   2.594   6.214
   81   1HB   SER  14          1HB       SER  14  -7.551   4.181   8.611
   82   2HB   SER  14          2HB       SER  14  -7.813   2.456   8.338
   83    HG   SER  14           HG       SER  14  -5.345   2.455   8.121
   84    H    GLY  15           H        GLY  15  -7.494   3.414   4.112
   85   1HA   GLY  15          1HA       GLY  15 -10.422   3.352   4.177
   86   2HA   GLY  15          2HA       GLY  15  -9.773   4.968   3.855
   87    HA   PRO  16           HA       PRO  16 -10.659   2.785  -0.206
   88   1HB   PRO  16          2HB       PRO  16 -11.392   5.682  -0.700
   89   2HB   PRO  16          1HB       PRO  16 -12.091   4.211  -1.430
   90   1HG   PRO  16          2HG       PRO  16 -13.374   5.332   0.652
   91   2HG   PRO  16          1HG       PRO  16 -13.074   3.574   0.705
   92   1HD   PRO  16          1HD       PRO  16 -11.431   5.773   2.022
   93   2HD   PRO  16          2HD       PRO  16 -12.082   4.275   2.750
   94    H    THR  17           H        THR  17  -8.424   2.389  -0.303
   95    HA   THR  17           HA       THR  17  -7.326   3.457  -2.761
   96    HB   THR  17           HB       THR  17  -6.445   5.118  -1.188
   97    HG1  THR  17           HG1      THR  17  -4.319   4.944  -1.870
   98   1HG2  THR  17          2HG2      THR  17  -6.137   3.534   0.811
   99   2HG2  THR  17          3HG2      THR  17  -4.643   2.991   0.023
  100   3HG2  THR  17          1HG2      THR  17  -4.834   4.681   0.486
  101    H    VAL  18           H        VAL  18  -8.301   1.181  -2.700
  102    HA   VAL  18           HA       VAL  18  -6.676  -0.889  -1.393
  103    HB   VAL  18           HB       VAL  18  -9.041  -0.733  -0.935
  104   1HG1  VAL  18          3HG2      VAL  18  -9.897  -0.022  -3.185
  105   2HG1  VAL  18          1HG2      VAL  18  -9.600  -1.667  -3.781
  106   3HG1  VAL  18          2HG2      VAL  18 -10.772  -1.391  -2.490
  107   1HG2  VAL  18          2HG1      VAL  18  -7.864  -2.890  -0.678
  108   2HG2  VAL  18          3HG1      VAL  18  -9.571  -3.107  -1.096
  109   3HG2  VAL  18          1HG1      VAL  18  -8.326  -3.342  -2.333
  110    H    CYS  19           H        CYS  19  -5.318  -2.213  -2.351
  111    HA   CYS  19           HA       CYS  19  -5.083  -2.420  -5.288
  112   1HB   CYS  19          2HB       CYS  19  -3.175  -1.877  -3.787
  113   2HB   CYS  19          1HB       CYS  19  -3.330  -3.475  -3.047
  114    H    ALA  20           H        ALA  20  -4.554  -4.517  -6.304
  115    HA   ALA  20           HA       ALA  20  -6.432  -6.638  -5.829
  116   1HB   ALA  20          2HB       ALA  20  -5.539  -6.080  -8.065
  117   2HB   ALA  20          3HB       ALA  20  -3.917  -6.569  -7.540
  118   3HB   ALA  20          1HB       ALA  20  -5.218  -7.771  -7.652
  119    H    SER  21           H        SER  21  -6.134  -8.729  -5.089
  120    HA   SER  21           HA       SER  21  -4.608  -8.943  -2.749
  121   1HB   SER  21          1HB       SER  21  -6.777 -10.041  -3.101
  122   2HB   SER  21          2HB       SER  21  -6.017 -11.191  -4.217
  123    HG   SER  21           HG       SER  21  -5.488 -10.879  -1.426
  124    H    GLY  22           H        GLY  22  -3.225 -10.565  -1.975
  125   1HA   GLY  22          1HA       GLY  22  -1.128 -12.009  -2.883
  126   2HA   GLY  22          2HA       GLY  22  -0.716 -10.397  -3.508
  127    H    THR  23           H        THR  23  -1.600  -8.728  -1.598
  128    HA   THR  23           HA       THR  23  -1.552  -7.881   0.473
  129    HB   THR  23           HB       THR  23  -1.018 -10.615   1.660
  130    HG1  THR  23           HG1      THR  23  -3.253 -10.958   1.451
  131   1HG2  THR  23          3HG2      THR  23  -2.861  -8.315   2.497
  132   2HG2  THR  23          1HG2      THR  23  -2.679  -9.860   3.349
  133   3HG2  THR  23          2HG2      THR  23  -1.333  -8.727   3.292
  134    H    THR  24           H        THR  24   1.063  -8.369  -1.026
  135    HA   THR  24           HA       THR  24   3.056  -7.755   1.074
  136    HB   THR  24           HB       THR  24   4.584  -7.642  -0.952
  137    HG1  THR  24           HG1      THR  24   3.595  -7.613  -2.778
  138   1HG2  THR  24          3HG2      THR  24   3.053 -10.242  -0.514
  139   2HG2  THR  24          1HG2      THR  24   4.632 -10.093  -1.299
  140   3HG2  THR  24          2HG2      THR  24   4.458  -9.684   0.420
  141    H    CYS  25           H        CYS  25   4.049  -5.747   1.201
  142    HA   CYS  25           HA       CYS  25   3.332  -3.564  -0.496
  143   1HB   CYS  25          1HB       CYS  25   1.229  -3.914   0.957
  144   2HB   CYS  25          2HB       CYS  25   2.173  -3.272   2.297
  145    H    GLN  26           H        GLN  26   4.919  -2.192  -0.555
  146    HA   GLN  26           HA       GLN  26   7.239  -2.206   1.174
  147   1HB   GLN  26          1HB       GLN  26   7.155  -2.037  -1.326
  148   2HB   GLN  26          2HB       GLN  26   6.422  -0.446  -1.200
  149   1HG   GLN  26          2HG       GLN  26   8.841  -0.474  -1.801
  150   2HG   GLN  26          1HG       GLN  26   8.499   0.506  -0.389
  151   1HE2  GLN  26          2HE2      GLN  26  10.336  -3.102   0.358
  152   2HE2  GLN  26          1HE2      GLN  26   8.935  -3.097  -0.722
  153    H    VAL  27           H        VAL  27   8.279   0.030   1.716
  154    HA   VAL  27           HA       VAL  27   6.344   2.109   2.657
  155    HB   VAL  27           HB       VAL  27   7.151   1.018   4.609
  156   1HG1  VAL  27          3HG2      VAL  27   9.228  -0.070   3.785
  157   2HG1  VAL  27          1HG2      VAL  27  10.030   1.509   3.719
  158   3HG1  VAL  27          2HG2      VAL  27   9.505   0.846   5.271
  159   1HG2  VAL  27          2HG1      VAL  27   6.972   3.506   4.648
  160   2HG2  VAL  27          3HG1      VAL  27   8.132   2.855   5.816
  161   3HG2  VAL  27          1HG1      VAL  27   8.715   3.617   4.329
  162    H    LEU  28           H        LEU  28   6.570   3.948   1.460
  163    HA   LEU  28           HA       LEU  28   9.215   4.639   0.214
  164   1HB   LEU  28          1HB       LEU  28   6.380   5.585  -0.189
  165   2HB   LEU  28          2HB       LEU  28   7.729   6.641  -0.614
  166    HG   LEU  28           HG       LEU  28   8.640   5.075  -2.169
  167   1HD1  LEU  28          1HD2      LEU  28   6.404   3.181  -1.330
  168   2HD1  LEU  28          2HD2      LEU  28   7.401   2.975  -2.785
  169   3HD1  LEU  28          3HD2      LEU  28   8.155   2.911  -1.193
  170   1HD2  LEU  28          2HD1      LEU  28   6.818   6.618  -2.912
  171   2HD2  LEU  28          3HD1      LEU  28   6.872   5.121  -3.855
  172   3HD2  LEU  28          1HD1      LEU  28   5.627   5.336  -2.606
  173    H    ASN  29           H        ASN  29   7.150   7.195   1.400
  174    HA   ASN  29           HA       ASN  29   8.901   7.714   3.751
  175   1HB   ASN  29          1HB       ASN  29   7.457   9.625   4.180
  176   2HB   ASN  29          2HB       ASN  29   8.051   9.662   2.526
  177   1HD2  ASN  29          1HD2      ASN  29   4.100   9.654   3.063
  178   2HD2  ASN  29          2HD2      ASN  29   5.208   9.975   4.402
  179    HA   PRO  30           HA       PRO  30   6.684   5.172   6.729
  180   1HB   PRO  30          2HB       PRO  30   6.118   7.891   7.979
  181   2HB   PRO  30          1HB       PRO  30   6.438   6.344   8.814
  182   1HG   PRO  30          1HG       PRO  30   8.480   8.072   8.404
  183   2HG   PRO  30          2HG       PRO  30   8.726   6.339   8.059
  184   1HD   PRO  30          1HD       PRO  30   8.301   8.589   6.115
  185   2HD   PRO  30          2HD       PRO  30   9.290   7.109   5.951
  186    H    TYR  31           H        TYR  31   4.783   8.137   5.941
  187    HA   TYR  31           HA       TYR  31   2.228   6.740   6.294
  188   1HB   TYR  31          1HB       TYR  31   2.943   9.590   5.545
  189   2HB   TYR  31          2HB       TYR  31   1.300   8.997   5.668
  190    HD1  TYR  31           HD2      TYR  31   0.269   8.381   7.803
  191    HD2  TYR  31           HD1      TYR  31   4.332   9.845   7.642
  192    HE1  TYR  31           HE2      TYR  31   0.250   8.718  10.265
  193    HE2  TYR  31           HE1      TYR  31   4.296  10.169  10.119
  194    HH   TYR  31           HH       TYR  31   1.429   9.377  12.070
  195    H    TYR  32           H        TYR  32   4.233   6.560   3.647
  196    HA   TYR  32           HA       TYR  32   1.914   5.959   1.844
  197   1HB   TYR  32          1HB       TYR  32   3.388   7.873   1.105
  198   2HB   TYR  32          2HB       TYR  32   4.642   6.687   0.805
  199    HD1  TYR  32           HD2      TYR  32   3.196   4.385  -0.517
  200    HD2  TYR  32           HD1      TYR  32   2.667   8.670  -0.968
  201    HE1  TYR  32           HE2      TYR  32   2.161   4.035  -2.703
  202    HE2  TYR  32           HE1      TYR  32   1.704   8.267  -3.227
  203    HH   TYR  32           HH       TYR  32   1.216   4.981  -4.509
  204    H    SER  33           H        SER  33   1.670   3.868   2.487
  205    HA   SER  33           HA       SER  33   3.887   1.963   2.018
  206   1HB   SER  33          1HB       SER  33   2.585   1.755   4.083
  207   2HB   SER  33          2HB       SER  33   1.131   1.391   3.123
  208    HG   SER  33           HG       SER  33   3.514  -0.125   2.816
  209    H    GLN  34           H        GLN  34   4.178   1.145   0.045
  210    HA   GLN  34           HA       GLN  34   2.066   1.446  -2.034
  211   1HB   GLN  34          1HB       GLN  34   4.208   2.729  -2.194
  212   2HB   GLN  34          2HB       GLN  34   5.064   1.203  -2.414
  213   1HG   GLN  34          1HG       GLN  34   3.677   0.786  -4.489
  214   2HG   GLN  34          2HG       GLN  34   2.851   2.319  -4.227
  215   1HE2  GLN  34          2HE2      GLN  34   5.461   4.200  -5.667
  216   2HE2  GLN  34          1HE2      GLN  34   3.878   4.273  -4.889
  217    H    CYS  35           H        CYS  35   1.284  -0.250  -3.193
  218    HA   CYS  35           HA       CYS  35   1.493  -2.908  -2.195
  219   1HB   CYS  35          1HB       CYS  35  -0.540  -1.817  -3.083
  220   2HB   CYS  35          2HB       CYS  35   0.165  -1.841  -4.685
  221    H    LEU  36           H        LEU  36   3.878  -2.992  -2.534
  222    HA   LEU  36           HA       LEU  36   4.629  -4.537  -4.991
  223   1HB   LEU  36          1HB       LEU  36   6.122  -2.773  -3.058
  224   2HB   LEU  36          2HB       LEU  36   6.980  -4.074  -3.865
  225    HG   LEU  36           HG       LEU  36   6.664  -3.141  -6.022
  226   1HD1  LEU  36          3HD1      LEU  36   4.739  -1.181  -4.722
  227   2HD1  LEU  36          1HD1      LEU  36   5.449  -0.915  -6.328
  228   3HD1  LEU  36          2HD1      LEU  36   4.414  -2.316  -6.057
  229   1HD2  LEU  36          3HD2      LEU  36   8.431  -2.131  -4.578
  230   2HD2  LEU  36          1HD2      LEU  36   7.794  -0.956  -5.746
  231   3HD2  LEU  36          2HD2      LEU  36   7.275  -0.888  -4.052
   
  No H/Q in entry =         231
  Start of MODEL   20
    1   1H    THR   1          2H        THR   1  -1.905 -10.387 -10.954
    2   2H    THR   1          3H        THR   1  -1.584 -10.327  -9.356
    3   3H    THR   1          1H        THR   1  -2.423 -11.607  -9.960
    4    HA   THR   1           HA       THR   1  -4.305 -10.241 -10.496
    5    HB   THR   1           HB       THR   1  -4.154 -11.106  -8.176
    6    HG1  THR   1           HG1      THR   1  -5.670  -9.730  -7.322
    7   1HG2  THR   1          1HG2      THR   1  -2.948  -8.350  -7.549
    8   2HG2  THR   1          2HG2      THR   1  -3.613  -9.482  -6.385
    9   3HG2  THR   1          3HG2      THR   1  -2.179  -9.930  -7.291
   10    H    GLN   2           H        GLN   2  -5.102  -7.793  -9.188
   11    HA   GLN   2           HA       GLN   2  -3.880  -5.862 -11.032
   12   1HB   GLN   2          2HB       GLN   2  -6.288  -5.967 -10.738
   13   2HB   GLN   2          1HB       GLN   2  -6.152  -5.511  -9.036
   14   1HG   GLN   2          1HG       GLN   2  -6.804  -3.705 -10.826
   15   2HG   GLN   2          2HG       GLN   2  -5.667  -3.263  -9.561
   16   1HE2  GLN   2          2HE2      GLN   2  -2.926  -2.944 -11.774
   17   2HE2  GLN   2          1HE2      GLN   2  -3.492  -2.901 -10.092
   18    H    SER   3           H        SER   3  -1.806  -6.473  -9.735
   19    HA   SER   3           HA       SER   3  -1.202  -4.357  -7.679
   20   1HB   SER   3          1HB       SER   3   0.155  -7.059  -8.031
   21   2HB   SER   3          2HB       SER   3   0.614  -5.797  -6.892
   22    HG   SER   3           HG       SER   3  -0.757  -7.194  -5.806
   23    H    HIS   4           H        HIS   4  -0.529  -2.727  -8.960
   24    HA   HIS   4           HA       HIS   4   1.878  -3.058 -10.692
   25   1HB   HIS   4          1HB       HIS   4  -0.731  -1.832 -11.698
   26   2HB   HIS   4          2HB       HIS   4   0.795  -1.898 -12.570
   27    HD2  HIS   4           HD2      HIS   4   1.492  -4.461 -13.598
   28    HE1  HIS   4           HE1      HIS   4  -2.402  -6.040 -13.029
   29    HE2  HIS   4           HE2      HIS   4  -0.159  -6.432 -14.176
   30    H    ALA   5           H        ALA   5  -0.574  -0.601  -9.772
   31    HA   ALA   5           HA       ALA   5   1.262   1.610  -9.978
   32   1HB   ALA   5          2HB       ALA   5  -1.133   1.818 -10.438
   33   2HB   ALA   5          3HB       ALA   5  -1.512   1.442  -8.743
   34   3HB   ALA   5          1HB       ALA   5  -0.632   2.931  -9.153
   35    H    GLY   6           H        GLY   6   2.825   2.066  -8.558
   36   1HA   GLY   6          1HA       GLY   6   3.511   0.884  -6.239
   37   2HA   GLY   6          2HA       GLY   6   3.975   2.540  -6.607
   38    H    GLN   7           H        GLN   7   2.455   4.296  -5.805
   39    HA   GLN   7           HA       GLN   7   1.861   3.730  -2.988
   40   1HB   GLN   7          1HB       GLN   7   3.211   5.703  -3.958
   41   2HB   GLN   7          2HB       GLN   7   1.652   6.435  -4.328
   42   1HG   GLN   7          1HG       GLN   7   2.702   5.553  -1.585
   43   2HG   GLN   7          2HG       GLN   7   2.557   7.213  -2.167
   44   1HE2  GLN   7          2HE2      GLN   7  -0.633   5.549  -0.419
   45   2HE2  GLN   7          1HE2      GLN   7   0.905   4.678  -0.496
   46    H    CYS   8           H        CYS   8  -0.130   3.097  -2.336
   47    HA   CYS   8           HA       CYS   8  -2.425   3.254  -4.114
   48   1HB   CYS   8          2HB       CYS   8  -3.472   1.749  -2.553
   49   2HB   CYS   8          1HB       CYS   8  -1.827   1.225  -2.881
   50    H    GLY   9           H        GLY   9  -1.607   5.902  -2.482
   51   1HA   GLY   9          2HA       GLY   9  -3.572   7.530  -2.489
   52   2HA   GLY   9          1HA       GLY   9  -4.307   6.495  -1.271
   53    H    GLY  10           H        GLY  10  -2.610   6.002   0.612
   54   1HA   GLY  10          2HA       GLY  10  -0.521   7.499   1.531
   55   2HA   GLY  10          1HA       GLY  10  -1.868   8.596   1.842
   56    H    ILE  11           H        ILE  11  -0.081   7.246   3.839
   57    HA   ILE  11           HA       ILE  11  -1.385   5.037   4.940
   58    HB   ILE  11           HB       ILE  11   0.802   6.765   5.779
   59   1HG1  ILE  11          2HG1      ILE  11   0.201   3.865   5.579
   60   2HG1  ILE  11          1HG1      ILE  11   1.672   4.751   5.263
   61   1HG2  ILE  11          2HG2      ILE  11  -0.567   7.384   7.659
   62   2HG2  ILE  11          3HG2      ILE  11  -0.773   5.675   8.108
   63   3HG2  ILE  11          1HG2      ILE  11   0.829   6.446   8.149
   64   1HD1  ILE  11          2HD1      ILE  11   2.155   4.655   7.754
   65   2HD1  ILE  11          3HD1      ILE  11   0.629   3.761   7.951
   66   3HD1  ILE  11          1HD1      ILE  11   1.952   3.068   7.005
   67    H    GLY  12           H        GLY  12  -2.663   4.599   6.638
   68   1HA   GLY  12          2HA       GLY  12  -4.995   5.115   7.536
   69   2HA   GLY  12          1HA       GLY  12  -5.147   6.256   6.193
   70    H    TYR  13           H        TYR  13  -4.172   5.095   4.046
   71    HA   TYR  13           HA       TYR  13  -5.325   2.481   3.401
   72   1HB   TYR  13          1HB       TYR  13  -3.193   4.185   2.080
   73   2HB   TYR  13          2HB       TYR  13  -3.629   2.575   1.570
   74    HD1  TYR  13           HD2      TYR  13  -5.302   5.934   2.209
   75    HD2  TYR  13           HD1      TYR  13  -5.289   2.234  -0.044
   76    HE1  TYR  13           HE2      TYR  13  -7.200   6.746   0.835
   77    HE2  TYR  13           HE1      TYR  13  -7.205   3.067  -1.389
   78    HH   TYR  13           HH       TYR  13  -8.648   6.271  -0.835
   79    H    SER  14           H        SER  14  -4.887   1.523   5.235
   80    HA   SER  14           HA       SER  14  -2.368   0.128   5.866
   81   1HB   SER  14          1HB       SER  14  -3.469   2.125   7.905
   82   2HB   SER  14          2HB       SER  14  -1.928   1.260   7.906
   83    HG   SER  14           HG       SER  14  -1.764   2.547   5.731
   84    H    GLY  15           H        GLY  15  -5.582   1.163   7.021
   85   1HA   GLY  15          2HA       GLY  15  -6.263  -1.475   8.237
   86   2HA   GLY  15          1HA       GLY  15  -7.267  -0.024   8.148
   87    HA   PRO  16           HA       PRO  16  -8.889  -3.055   5.017
   88   1HB   PRO  16          2HB       PRO  16 -11.456  -1.689   5.840
   89   2HB   PRO  16          1HB       PRO  16 -11.159  -3.407   5.465
   90   1HG   PRO  16          2HG       PRO  16 -11.293  -2.610   8.045
   91   2HG   PRO  16          1HG       PRO  16  -9.959  -3.693   7.549
   92   1HD   PRO  16          1HD       PRO  16  -9.874  -0.662   7.831
   93   2HD   PRO  16          2HD       PRO  16  -8.770  -1.882   8.527
   94    H    THR  17           H        THR  17  -7.555  -1.315   3.750
   95    HA   THR  17           HA       THR  17  -9.035  -1.198   1.327
   96    HB   THR  17           HB       THR  17  -9.883   0.915   1.971
   97    HG1  THR  17           HG1      THR  17  -8.723   2.156   0.243
   98   1HG2  THR  17          2HG2      THR  17  -8.110   1.681   3.581
   99   2HG2  THR  17          3HG2      THR  17  -7.060   2.000   2.188
  100   3HG2  THR  17          1HG2      THR  17  -8.563   2.901   2.374
  101    H    VAL  18           H        VAL  18  -7.516  -2.760   1.021
  102    HA   VAL  18           HA       VAL  18  -4.609  -2.083   1.066
  103    HB   VAL  18           HB       VAL  18  -5.513  -3.627   2.792
  104   1HG1  VAL  18          3HG2      VAL  18  -7.268  -4.787   1.440
  105   2HG1  VAL  18          1HG2      VAL  18  -5.993  -5.595   0.510
  106   3HG1  VAL  18          2HG2      VAL  18  -6.165  -5.912   2.241
  107   1HG2  VAL  18          2HG1      VAL  18  -3.141  -3.731   2.107
  108   2HG2  VAL  18          3HG1      VAL  18  -3.772  -5.296   2.647
  109   3HG2  VAL  18          1HG1      VAL  18  -3.549  -4.995   0.920
  110    H    CYS  19           H        CYS  19  -3.176  -2.974  -0.517
  111    HA   CYS  19           HA       CYS  19  -4.294  -3.280  -3.156
  112   1HB   CYS  19          2HB       CYS  19  -1.918  -2.399  -2.406
  113   2HB   CYS  19          1HB       CYS  19  -1.455  -4.083  -2.583
  114    H    ALA  20           H        ALA  20  -3.418  -5.263  -4.586
  115    HA   ALA  20           HA       ALA  20  -5.528  -7.013  -3.699
  116   1HB   ALA  20          3HB       ALA  20  -4.090  -6.712  -6.346
  117   2HB   ALA  20          1HB       ALA  20  -5.540  -7.711  -6.077
  118   3HB   ALA  20          2HB       ALA  20  -5.608  -5.957  -5.841
  119    H    SER  21           H        SER  21  -5.587  -9.045  -3.171
  120    HA   SER  21           HA       SER  21  -4.665 -11.188  -2.527
  121   1HB   SER  21          1HB       SER  21  -5.609 -12.545  -4.277
  122   2HB   SER  21          2HB       SER  21  -6.587 -11.087  -4.076
  123    HG   SER  21           HG       SER  21  -4.528 -11.428  -6.003
  124    H    GLY  22           H        GLY  22  -2.454 -11.147  -2.095
  125   1HA   GLY  22          1HA       GLY  22  -0.579 -12.670  -2.311
  126   2HA   GLY  22          2HA       GLY  22  -0.676 -12.565  -4.069
  127    H    THR  23           H        THR  23  -0.813 -10.001  -1.692
  128    HA   THR  23           HA       THR  23   1.600  -8.546  -1.913
  129    HB   THR  23           HB       THR  23  -0.500  -8.143  -4.063
  130    HG1  THR  23           HG1      THR  23   2.298  -7.985  -4.065
  131   1HG2  THR  23          3HG2      THR  23   1.169  -5.888  -2.930
  132   2HG2  THR  23          1HG2      THR  23   0.594  -5.912  -4.587
  133   3HG2  THR  23          2HG2      THR  23  -0.572  -5.949  -3.257
  134    H    THR  24           H        THR  24   1.349  -6.623  -0.627
  135    HA   THR  24           HA       THR  24  -1.397  -5.636  -0.037
  136    HB   THR  24           HB       THR  24  -1.119  -5.371   2.317
  137    HG1  THR  24           HG1      THR  24   0.909  -6.597   3.133
  138   1HG2  THR  24          2HG2      THR  24  -1.958  -7.586   1.623
  139   2HG2  THR  24          3HG2      THR  24  -0.300  -8.224   1.667
  140   3HG2  THR  24          1HG2      THR  24  -1.071  -7.651   3.158
  141    H    CYS  25           H        CYS  25  -1.196  -3.443   1.305
  142    HA   CYS  25           HA       CYS  25   0.764  -1.774  -0.209
  143   1HB   CYS  25          1HB       CYS  25  -1.720  -1.240  -0.233
  144   2HB   CYS  25          2HB       CYS  25  -1.470  -0.602   1.395
  145    H    GLN  26           H        GLN  26   2.649  -2.106   0.840
  146    HA   GLN  26           HA       GLN  26   2.875  -2.089   3.796
  147   1HB   GLN  26          1HB       GLN  26   3.797  -3.996   2.903
  148   2HB   GLN  26          2HB       GLN  26   4.459  -3.182   1.486
  149   1HG   GLN  26          2HG       GLN  26   6.234  -3.932   2.940
  150   2HG   GLN  26          1HG       GLN  26   6.257  -2.172   2.778
  151   1HE2  GLN  26          1HE2      GLN  26   6.633  -2.171   6.311
  152   2HE2  GLN  26          2HE2      GLN  26   7.369  -1.723   4.779
  153    H    VAL  27           H        VAL  27   4.044  -0.606   4.954
  154    HA   VAL  27           HA       VAL  27   4.642   1.969   3.892
  155    HB   VAL  27           HB       VAL  27   3.919   1.586   6.158
  156   1HG1  VAL  27          3HG2      VAL  27   5.142  -0.506   6.736
  157   2HG1  VAL  27          1HG2      VAL  27   6.668   0.413   6.749
  158   3HG1  VAL  27          2HG2      VAL  27   5.395   0.769   7.929
  159   1HG2  VAL  27          1HG1      VAL  27   6.647   2.920   6.026
  160   2HG2  VAL  27          2HG1      VAL  27   5.057   3.672   5.732
  161   3HG2  VAL  27          3HG1      VAL  27   5.477   3.081   7.345
  162    H    LEU  28           H        LEU  28   6.364   2.803   2.859
  163    HA   LEU  28           HA       LEU  28   9.136   1.660   3.161
  164   1HB   LEU  28          1HB       LEU  28   7.937   3.747   1.306
  165   2HB   LEU  28          2HB       LEU  28   9.672   3.648   1.600
  166    HG   LEU  28           HG       LEU  28   9.780   1.369   0.790
  167   1HD1  LEU  28          1HD2      LEU  28   6.782   1.681   0.378
  168   2HD1  LEU  28          2HD2      LEU  28   7.756   0.445  -0.451
  169   3HD1  LEU  28          3HD2      LEU  28   7.624   0.424   1.305
  170   1HD2  LEU  28          2HD1      LEU  28  10.073   3.285  -0.765
  171   2HD2  LEU  28          3HD1      LEU  28   9.379   1.880  -1.584
  172   3HD2  LEU  28          1HD1      LEU  28   8.338   3.248  -1.137
  173    H    ASN  29           H        ASN  29   8.117   5.028   3.021
  174    HA   ASN  29           HA       ASN  29   9.160   5.577   5.773
  175   1HB   ASN  29          1HB       ASN  29   8.532   7.473   3.462
  176   2HB   ASN  29          2HB       ASN  29   9.069   7.993   5.053
  177   1HD2  ASN  29          1HD2      ASN  29  12.398   6.504   4.436
  178   2HD2  ASN  29          2HD2      ASN  29  11.199   6.341   5.718
  179    HA   PRO  30           HA       PRO  30   5.267   5.645   7.673
  180   1HB   PRO  30          2HB       PRO  30   5.014   8.419   8.502
  181   2HB   PRO  30          1HB       PRO  30   5.512   6.990   9.436
  182   1HG   PRO  30          1HG       PRO  30   7.214   8.964   7.925
  183   2HG   PRO  30          2HG       PRO  30   7.586   8.139   9.465
  184   1HD   PRO  30          2HD       PRO  30   8.769   7.330   7.220
  185   2HD   PRO  30          1HD       PRO  30   8.096   6.084   8.303
  186    H    TYR  31           H        TYR  31   5.320   8.711   5.730
  187    HA   TYR  31           HA       TYR  31   2.512   8.136   4.879
  188   1HB   TYR  31          2HB       TYR  31   4.209  10.634   4.717
  189   2HB   TYR  31          1HB       TYR  31   2.630  10.469   3.964
  190    HD1  TYR  31           HD1      TYR  31   0.564  10.086   5.270
  191    HD2  TYR  31           HD2      TYR  31   4.365  10.739   7.220
  192    HE1  TYR  31           HE1      TYR  31  -0.587  10.282   7.470
  193    HE2  TYR  31           HE2      TYR  31   3.200  10.921   9.411
  194    HH   TYR  31           HH       TYR  31   1.219  10.846  10.488
  195    H    TYR  32           H        TYR  32   4.636   6.458   3.841
  196    HA   TYR  32           HA       TYR  32   3.673   6.559   1.034
  197   1HB   TYR  32          1HB       TYR  32   6.052   7.494   1.280
  198   2HB   TYR  32          2HB       TYR  32   6.557   5.853   1.624
  199    HD1  TYR  32           HD1      TYR  32   4.835   4.283  -0.408
  200    HD2  TYR  32           HD2      TYR  32   7.029   8.008  -0.800
  201    HE1  TYR  32           HE1      TYR  32   4.900   4.005  -2.837
  202    HE2  TYR  32           HE2      TYR  32   7.231   7.589  -3.237
  203    HH   TYR  32           HH       TYR  32   6.905   6.071  -4.906
  204    H    SER  33           H        SER  33   2.165   5.050   1.713
  205    HA   SER  33           HA       SER  33   2.993   2.264   2.367
  206   1HB   SER  33          1HB       SER  33   0.989   3.320   3.412
  207   2HB   SER  33          2HB       SER  33   0.214   3.392   1.824
  208    HG   SER  33           HG       SER  33  -0.361   1.493   2.983
  209    H    GLN  34           H        GLN  34   3.541   0.865   0.730
  210    HA   GLN  34           HA       GLN  34   2.843   1.550  -2.087
  211   1HB   GLN  34          1HB       GLN  34   5.171   2.054  -1.290
  212   2HB   GLN  34          2HB       GLN  34   5.408   0.316  -1.071
  213   1HG   GLN  34          1HG       GLN  34   5.077  -0.027  -3.513
  214   2HG   GLN  34          2HG       GLN  34   4.717   1.686  -3.725
  215   1HE2  GLN  34          2HE2      GLN  34   8.170   2.553  -3.790
  216   2HE2  GLN  34          1HE2      GLN  34   6.531   3.203  -3.909
  217    H    CYS  35           H        CYS  35   2.128  -0.013  -3.435
  218    HA   CYS  35           HA       CYS  35   1.052  -2.487  -2.521
  219   1HB   CYS  35          1HB       CYS  35   0.139  -1.057  -4.322
  220   2HB   CYS  35          2HB       CYS  35   1.529  -1.461  -5.330
  221    H    LEU  36           H        LEU  36   2.656  -3.855  -1.656
  222    HA   LEU  36           HA       LEU  36   4.669  -5.133  -3.461
  223   1HB   LEU  36          1HB       LEU  36   4.806  -4.157  -0.612
  224   2HB   LEU  36          2HB       LEU  36   5.656  -5.638  -1.013
  225    HG   LEU  36           HG       LEU  36   7.029  -4.594  -2.659
  226   1HD1  LEU  36          1HD2      LEU  36   5.432  -2.050  -2.156
  227   2HD1  LEU  36          2HD2      LEU  36   7.006  -2.095  -2.977
  228   3HD1  LEU  36          3HD2      LEU  36   5.633  -2.922  -3.698
  229   1HD2  LEU  36          2HD1      LEU  36   7.703  -4.433  -0.256
  230   2HD2  LEU  36          3HD1      LEU  36   8.318  -3.074  -1.219
  231   3HD2  LEU  36          1HD1      LEU  36   6.913  -2.842  -0.158
   
  No H/Q in entry =         231
  Start of MODEL   21
    1   1H    THR   1          3H        THR   1  -1.390 -12.091 -10.744
    2   2H    THR   1          1H        THR   1  -1.980 -12.038  -9.231
    3   3H    THR   1          2H        THR   1  -2.724 -12.988 -10.362
    4    HA   THR   1           HA       THR   1  -3.383 -11.073 -11.636
    5    HB   THR   1           HB       THR   1  -4.911 -11.821  -9.809
    6    HG1  THR   1           HG1      THR   1  -6.036  -9.763  -9.760
    7   1HG2  THR   1          2HG2      THR   1  -3.462 -11.160  -7.831
    8   2HG2  THR   1          3HG2      THR   1  -3.788  -9.459  -8.203
    9   3HG2  THR   1          1HG2      THR   1  -5.110 -10.539  -7.745
   10    H    GLN   2           H        GLN   2  -4.007  -8.520 -10.917
   11    HA   GLN   2           HA       GLN   2  -1.425  -7.112 -11.127
   12   1HB   GLN   2          2HB       GLN   2  -3.560  -6.640 -12.474
   13   2HB   GLN   2          1HB       GLN   2  -4.217  -5.908 -11.007
   14   1HG   GLN   2          1HG       GLN   2  -1.763  -5.053 -12.631
   15   2HG   GLN   2          2HG       GLN   2  -3.290  -4.197 -12.470
   16   1HE2  GLN   2          2HE2      GLN   2  -0.382  -3.630  -9.742
   17   2HE2  GLN   2          1HE2      GLN   2  -0.173  -4.837 -10.980
   18    H    SER   3           H        SER   3  -0.465  -7.475  -9.070
   19    HA   SER   3           HA       SER   3  -1.766  -6.094  -6.749
   20   1HB   SER   3          1HB       SER   3  -0.622  -8.582  -6.687
   21   2HB   SER   3          2HB       SER   3   0.737  -7.592  -6.146
   22    HG   SER   3           HG       SER   3  -1.930  -7.620  -5.114
   23    H    HIS   4           H        HIS   4   1.505  -6.327  -8.229
   24    HA   HIS   4           HA       HIS   4   2.813  -4.187  -7.190
   25   1HB   HIS   4          1HB       HIS   4   2.923  -5.065 -10.099
   26   2HB   HIS   4          2HB       HIS   4   4.198  -4.245  -9.188
   27    HD2  HIS   4           HD2      HIS   4   5.285  -5.814  -7.048
   28    HE1  HIS   4           HE1      HIS   4   3.253  -9.375  -8.058
   29    HE2  HIS   4           HE2      HIS   4   4.830  -8.251  -6.356
   30    H    ALA   5           H        ALA   5   1.637  -2.349  -6.744
   31    HA   ALA   5           HA       ALA   5   0.867  -0.559  -9.030
   32   1HB   ALA   5          2HB       ALA   5  -1.016  -2.110  -8.461
   33   2HB   ALA   5          3HB       ALA   5  -1.035  -1.465  -6.817
   34   3HB   ALA   5          1HB       ALA   5  -1.435  -0.429  -8.208
   35    H    GLY   6           H        GLY   6  -0.743   1.083  -7.219
   36   1HA   GLY   6          1HA       GLY   6   1.348   2.847  -6.085
   37   2HA   GLY   6          2HA       GLY   6  -0.372   3.172  -6.269
   38    H    GLN   7           H        GLN   7  -0.928   3.733  -4.197
   39    HA   GLN   7           HA       GLN   7   0.199   2.709  -1.833
   40   1HB   GLN   7          1HB       GLN   7  -0.881   4.891  -2.128
   41   2HB   GLN   7          2HB       GLN   7  -2.471   4.121  -2.203
   42   1HG   GLN   7          2HG       GLN   7  -2.324   3.416   0.113
   43   2HG   GLN   7          1HG       GLN   7  -0.586   3.758   0.161
   44   1HE2  GLN   7          2HE2      GLN   7  -1.617   6.651   1.884
   45   2HE2  GLN   7          1HE2      GLN   7  -1.077   4.988   2.142
   46    H    CYS   8           H        CYS   8  -0.253   1.130  -0.444
   47    HA   CYS   8           HA       CYS   8  -2.354  -0.927  -0.898
   48   1HB   CYS   8          1HB       CYS   8  -0.104  -1.675  -0.269
   49   2HB   CYS   8          2HB       CYS   8  -0.100  -0.585   1.112
   50    H    GLY   9           H        GLY   9  -1.380   1.395   1.552
   51   1HA   GLY   9          1HA       GLY   9  -3.702   2.395   2.704
   52   2HA   GLY   9          2HA       GLY   9  -3.525   0.797   3.444
   53    H    GLY  10           H        GLY  10  -2.487   4.044   3.632
   54   1HA   GLY  10          1HA       GLY  10   0.157   3.424   4.951
   55   2HA   GLY  10          2HA       GLY  10  -0.322   4.965   4.248
   56    H    ILE  11           H        ILE  11   0.805   5.010   6.705
   57    HA   ILE  11           HA       ILE  11  -0.960   5.233   8.927
   58    HB   ILE  11           HB       ILE  11   1.427   6.956   8.173
   59   1HG1  ILE  11          2HG1      ILE  11   1.235   4.452   9.918
   60   2HG1  ILE  11          1HG1      ILE  11   2.011   4.566   8.338
   61   1HG2  ILE  11          2HG2      ILE  11  -0.037   8.037   9.899
   62   2HG2  ILE  11          3HG2      ILE  11   0.144   6.589  10.912
   63   3HG2  ILE  11          1HG2      ILE  11   1.544   7.608  10.515
   64   1HD1  ILE  11          2HD1      ILE  11   3.581   6.318   9.329
   65   2HD1  ILE  11          3HD1      ILE  11   2.955   5.834  10.922
   66   3HD1  ILE  11          1HD1      ILE  11   3.775   4.648   9.896
   67    H    GLY  12           H        GLY  12  -2.749   6.500   9.225
   68   1HA   GLY  12          1HA       GLY  12  -4.140   8.385   9.144
   69   2HA   GLY  12          2HA       GLY  12  -3.046   9.205   8.035
   70    H    TYR  13           H        TYR  13  -2.906   7.569   5.853
   71    HA   TYR  13           HA       TYR  13  -5.591   7.616   4.666
   72   1HB   TYR  13          1HB       TYR  13  -3.333   8.109   3.528
   73   2HB   TYR  13          2HB       TYR  13  -3.191   6.369   3.364
   74    HD1  TYR  13           HD2      TYR  13  -6.229   5.756   2.696
   75    HD2  TYR  13           HD1      TYR  13  -3.445   8.761   1.262
   76    HE1  TYR  13           HE2      TYR  13  -7.493   5.939   0.607
   77    HE2  TYR  13           HE1      TYR  13  -4.753   8.913  -0.849
   78    HH   TYR  13           HH       TYR  13  -7.517   6.776  -1.488
   79    H    SER  14           H        SER  14  -6.230   6.193   6.583
   80    HA   SER  14           HA       SER  14  -5.900   3.316   6.387
   81   1HB   SER  14          1HB       SER  14  -7.850   4.984   8.020
   82   2HB   SER  14          2HB       SER  14  -7.446   3.279   8.286
   83    HG   SER  14           HG       SER  14  -6.210   4.645   9.663
   84    H    GLY  15           H        GLY  15  -7.772   5.245   4.427
   85   1HA   GLY  15          2HA       GLY  15 -10.283   3.782   4.468
   86   2HA   GLY  15          1HA       GLY  15  -9.831   5.057   3.340
   87    HA   PRO  16           HA       PRO  16  -9.679   0.702   1.301
   88   1HB   PRO  16          2HB       PRO  16 -12.075   1.871  -0.143
   89   2HB   PRO  16          1HB       PRO  16 -11.715   0.164   0.229
   90   1HG   PRO  16          2HG       PRO  16 -13.443   1.524   1.785
   91   2HG   PRO  16          1HG       PRO  16 -12.163   0.562   2.579
   92   1HD   PRO  16          1HD       PRO  16 -12.136   3.553   1.994
   93   2HD   PRO  16          2HD       PRO  16 -11.831   2.687   3.527
   94    H    THR  17           H        THR  17  -7.664   2.125   0.628
   95    HA   THR  17           HA       THR  17  -7.741   2.342  -2.408
   96    HB   THR  17           HB       THR  17  -6.805   4.306  -1.394
   97    HG1  THR  17           HG1      THR  17  -4.836   2.619  -2.596
   98   1HG2  THR  17          2HG2      THR  17  -6.009   3.446   0.755
   99   2HG2  THR  17          3HG2      THR  17  -4.699   2.559  -0.054
  100   3HG2  THR  17          1HG2      THR  17  -4.743   4.336  -0.103
  101    H    VAL  18           H        VAL  18  -8.141  -0.146  -1.581
  102    HA   VAL  18           HA       VAL  18  -5.558  -1.468  -1.109
  103    HB   VAL  18           HB       VAL  18  -7.345  -1.735   0.465
  104   1HG1  VAL  18          2HG1      VAL  18  -9.291  -1.683  -1.116
  105   2HG1  VAL  18          3HG1      VAL  18  -8.823  -3.292  -1.690
  106   3HG1  VAL  18          1HG1      VAL  18  -9.343  -3.052  -0.007
  107   1HG2  VAL  18          3HG2      VAL  18  -5.594  -3.435   0.275
  108   2HG2  VAL  18          1HG2      VAL  18  -7.137  -4.139   0.776
  109   3HG2  VAL  18          2HG2      VAL  18  -6.579  -4.338  -0.895
  110    H    CYS  19           H        CYS  19  -4.515  -2.785  -2.420
  111    HA   CYS  19           HA       CYS  19  -5.303  -3.250  -5.191
  112   1HB   CYS  19          1HB       CYS  19  -3.047  -4.185  -5.394
  113   2HB   CYS  19          2HB       CYS  19  -3.000  -2.662  -4.512
  114    H    ALA  20           H        ALA  20  -4.660  -5.540  -6.137
  115    HA   ALA  20           HA       ALA  20  -6.586  -7.447  -4.962
  116   1HB   ALA  20          2HB       ALA  20  -6.878  -6.780  -7.271
  117   2HB   ALA  20          3HB       ALA  20  -5.258  -7.369  -7.680
  118   3HB   ALA  20          1HB       ALA  20  -6.518  -8.512  -7.167
  119    H    SER  21           H        SER  21  -6.172  -9.349  -4.178
  120    HA   SER  21           HA       SER  21  -4.299 -10.322  -2.729
  121   1HB   SER  21          1HB       SER  21  -5.157 -12.547  -3.027
  122   2HB   SER  21          2HB       SER  21  -6.475 -11.394  -3.227
  123    HG   SER  21           HG       SER  21  -4.985 -12.416  -5.421
  124    H    GLY  22           H        GLY  22  -2.104 -10.103  -3.018
  125   1HA   GLY  22          2HA       GLY  22  -0.597 -12.301  -3.324
  126   2HA   GLY  22          1HA       GLY  22  -0.643 -11.776  -5.010
  127    H    THR  23           H        THR  23   0.058 -10.669  -1.738
  128    HA   THR  23           HA       THR  23   1.067  -8.073  -2.787
  129    HB   THR  23           HB       THR  23  -0.877  -8.721  -0.524
  130    HG1  THR  23           HG1      THR  23  -1.213  -7.830  -3.182
  131   1HG2  THR  23          3HG2      THR  23   0.151  -6.099  -1.641
  132   2HG2  THR  23          1HG2      THR  23  -1.416  -6.223  -0.807
  133   3HG2  THR  23          2HG2      THR  23   0.085  -6.615   0.042
  134    H    THR  24           H        THR  24   2.793  -7.098  -1.787
  135    HA   THR  24           HA       THR  24   3.249  -7.641   1.140
  136    HB   THR  24           HB       THR  24   4.956  -8.762  -0.053
  137    HG1  THR  24           HG1      THR  24   6.709  -7.672   1.020
  138   1HG2  THR  24          2HG2      THR  24   5.160  -7.322  -2.045
  139   2HG2  THR  24          3HG2      THR  24   5.957  -6.073  -1.067
  140   3HG2  THR  24          1HG2      THR  24   6.718  -7.656  -1.295
  141    H    CYS  25           H        CYS  25   2.314  -6.042   2.075
  142    HA   CYS  25           HA       CYS  25   1.995  -3.363   1.049
  143   1HB   CYS  25          1HB       CYS  25   0.366  -4.801   2.385
  144   2HB   CYS  25          2HB       CYS  25   1.355  -4.482   3.803
  145    H    GLN  26           H        GLN  26   3.674  -1.934   1.097
  146    HA   GLN  26           HA       GLN  26   5.918  -2.437   2.971
  147   1HB   GLN  26          1HB       GLN  26   5.659  -2.442   0.194
  148   2HB   GLN  26          2HB       GLN  26   6.388  -0.890   0.447
  149   1HG   GLN  26          2HG       GLN  26   8.052  -2.687   0.057
  150   2HG   GLN  26          1HG       GLN  26   8.276  -2.013   1.678
  151   1HE2  GLN  26          2HE2      GLN  26   6.413  -5.680   1.639
  152   2HE2  GLN  26          1HE2      GLN  26   5.781  -4.423   0.597
  153    H    VAL  27           H        VAL  27   7.461  -0.115   2.145
  154    HA   VAL  27           HA       VAL  27   6.111   2.254   3.164
  155    HB   VAL  27           HB       VAL  27   6.499   1.241   5.273
  156   1HG1  VAL  27          3HG2      VAL  27   8.344  -0.329   4.780
  157   2HG1  VAL  27          1HG2      VAL  27   9.478   1.035   4.661
  158   3HG1  VAL  27          2HG2      VAL  27   8.682   0.669   6.197
  159   1HG2  VAL  27          2HG1      VAL  27   6.789   3.678   5.060
  160   2HG2  VAL  27          3HG1      VAL  27   7.731   2.985   6.388
  161   3HG2  VAL  27          1HG1      VAL  27   8.544   3.459   4.887
  162    H    LEU  28           H        LEU  28   6.687   3.667   1.660
  163    HA   LEU  28           HA       LEU  28   9.503   3.865   0.659
  164   1HB   LEU  28          1HB       LEU  28   6.825   4.992  -0.225
  165   2HB   LEU  28          2HB       LEU  28   8.343   5.723  -0.749
  166    HG   LEU  28           HG       LEU  28   9.118   3.672  -1.753
  167   1HD1  LEU  28          1HD2      LEU  28   6.496   2.416  -0.823
  168   2HD1  LEU  28          2HD2      LEU  28   7.598   1.702  -2.017
  169   3HD1  LEU  28          3HD2      LEU  28   8.143   1.922  -0.365
  170   1HD2  LEU  28          2HD1      LEU  28   7.676   5.265  -3.040
  171   2HD2  LEU  28          3HD1      LEU  28   7.563   3.603  -3.622
  172   3HD2  LEU  28          1HD1      LEU  28   6.256   4.280  -2.627
  173    H    ASN  29           H        ASN  29   7.043   6.064   1.891
  174    HA   ASN  29           HA       ASN  29   8.953   7.097   3.921
  175   1HB   ASN  29          1HB       ASN  29   6.890   8.733   2.361
  176   2HB   ASN  29          2HB       ASN  29   7.601   9.270   3.876
  177   1HD2  ASN  29          1HD2      ASN  29  10.030   9.223   0.590
  178   2HD2  ASN  29          2HD2      ASN  29   8.610   8.173   0.568
  179    HA   PRO  30           HA       PRO  30   6.240   5.326   6.843
  180   1HB   PRO  30          2HB       PRO  30   5.756   7.461   8.677
  181   2HB   PRO  30          1HB       PRO  30   7.079   6.273   8.695
  182   1HG   PRO  30          1HG       PRO  30   7.074   9.057   7.530
  183   2HG   PRO  30          2HG       PRO  30   8.367   8.248   8.454
  184   1HD   PRO  30          2HD       PRO  30   8.541   8.444   5.796
  185   2HD   PRO  30          1HD       PRO  30   8.977   6.898   6.570
  186    H    TYR  31           H        TYR  31   5.012   8.446   5.669
  187    HA   TYR  31           HA       TYR  31   2.214   7.822   6.263
  188   1HB   TYR  31          1HB       TYR  31   3.589  10.155   4.892
  189   2HB   TYR  31          2HB       TYR  31   1.864  10.077   5.205
  190    HD1  TYR  31           HD2      TYR  31   0.954   9.915   7.518
  191    HD2  TYR  31           HD1      TYR  31   5.152  10.611   6.770
  192    HE1  TYR  31           HE2      TYR  31   1.292  10.527   9.914
  193    HE2  TYR  31           HE1      TYR  31   5.484  11.164   9.174
  194    HH   TYR  31           HH       TYR  31   4.514  11.322  11.205
  195    H    TYR  32           H        TYR  32   3.847   6.356   3.940
  196    HA   TYR  32           HA       TYR  32   1.489   5.953   2.227
  197   1HB   TYR  32          2HB       TYR  32   2.121   7.961   1.228
  198   2HB   TYR  32          1HB       TYR  32   3.832   7.579   1.297
  199    HD1  TYR  32           HD2      TYR  32   1.589   4.910  -0.090
  200    HD2  TYR  32           HD1      TYR  32   3.757   8.534  -1.044
  201    HE1  TYR  32           HE2      TYR  32   1.879   4.154  -2.427
  202    HE2  TYR  32           HE1      TYR  32   4.184   7.657  -3.336
  203    HH   TYR  32           HH       TYR  32   4.122   5.737  -4.626
  204    H    SER  33           H        SER  33   1.798   3.897   3.197
  205    HA   SER  33           HA       SER  33   3.838   2.037   2.308
  206   1HB   SER  33          1HB       SER  33   2.634   1.430   4.261
  207   2HB   SER  33          2HB       SER  33   1.066   1.685   3.496
  208    HG   SER  33           HG       SER  33   1.179  -0.255   2.634
  209    H    GLN  34           H        GLN  34   4.082   1.099   0.366
  210    HA   GLN  34           HA       GLN  34   2.038   1.334  -1.771
  211   1HB   GLN  34          1HB       GLN  34   4.350   2.180  -2.094
  212   2HB   GLN  34          2HB       GLN  34   4.972   0.537  -1.892
  213   1HG   GLN  34          1HG       GLN  34   3.753  -0.174  -3.961
  214   2HG   GLN  34          2HG       GLN  34   3.023   1.438  -4.072
  215   1HE2  GLN  34          2HE2      GLN  34   5.606   1.826  -6.468
  216   2HE2  GLN  34          1HE2      GLN  34   3.940   1.234  -6.318
  217    H    CYS  35           H        CYS  35   1.430  -0.434  -3.112
  218    HA   CYS  35           HA       CYS  35   1.608  -3.166  -1.924
  219   1HB   CYS  35          1HB       CYS  35  -0.592  -2.336  -2.479
  220   2HB   CYS  35          2HB       CYS  35  -0.127  -2.066  -4.162
  221    H    LEU  36           H        LEU  36   3.482  -4.158  -2.449
  222    HA   LEU  36           HA       LEU  36   4.067  -4.669  -5.340
  223   1HB   LEU  36          1HB       LEU  36   6.031  -5.047  -3.066
  224   2HB   LEU  36          2HB       LEU  36   6.316  -5.199  -4.789
  225    HG   LEU  36           HG       LEU  36   7.403  -3.278  -4.056
  226   1HD1  LEU  36          2HD1      LEU  36   6.327  -3.019  -6.238
  227   2HD1  LEU  36          3HD1      LEU  36   4.888  -2.312  -5.478
  228   3HD1  LEU  36          1HD1      LEU  36   6.440  -1.466  -5.389
  229   1HD2  LEU  36          3HD2      LEU  36   6.076  -2.958  -1.953
  230   2HD2  LEU  36          1HD2      LEU  36   6.594  -1.478  -2.780
  231   3HD2  LEU  36          2HD2      LEU  36   4.914  -1.998  -2.888
   
  No H/Q in entry =         231
  Start of MODEL   22
    1   1H    THR   1          1H        THR   1   0.231 -11.064  -7.817
    2   2H    THR   1          2H        THR   1  -0.030  -9.656  -7.040
    3   3H    THR   1          3H        THR   1  -1.173 -10.841  -6.978
    4    HA   THR   1           HA       THR   1  -1.547 -10.638  -9.387
    5    HB   THR   1           HB       THR   1  -3.016  -9.335  -7.995
    6    HG1  THR   1           HG1      THR   1  -3.212  -7.414  -9.462
    7   1HG2  THR   1          2HG2      THR   1  -0.961  -7.086  -8.102
    8   2HG2  THR   1          3HG2      THR   1  -2.612  -7.005  -7.448
    9   3HG2  THR   1          1HG2      THR   1  -1.414  -8.029  -6.679
   10    H    GLN   2           H        GLN   2  -1.259  -8.023 -10.736
   11    HA   GLN   2           HA       GLN   2   1.661  -7.596 -10.988
   12   1HB   GLN   2          2HB       GLN   2   1.242  -9.125 -12.795
   13   2HB   GLN   2          1HB       GLN   2  -0.155  -8.203 -13.351
   14   1HG   GLN   2          1HG       GLN   2   2.004  -7.968 -14.707
   15   2HG   GLN   2          2HG       GLN   2   1.189  -6.477 -14.277
   16   1HE2  GLN   2          2HE2      GLN   2   4.633  -7.190 -12.182
   17   2HE2  GLN   2          1HE2      GLN   2   3.528  -8.551 -12.388
   18    H    SER   3           H        SER   3   0.631  -6.060  -9.424
   19    HA   SER   3           HA       SER   3  -0.717  -3.713 -10.636
   20   1HB   SER   3          1HB       SER   3  -0.244  -4.534  -7.756
   21   2HB   SER   3          2HB       SER   3  -1.041  -3.034  -8.281
   22    HG   SER   3           HG       SER   3  -2.625  -4.590  -7.921
   23    H    HIS   4           H        HIS   4   0.406  -1.983 -11.199
   24    HA   HIS   4           HA       HIS   4   3.221  -1.774 -10.914
   25   1HB   HIS   4          1HB       HIS   4   1.216   0.303 -11.868
   26   2HB   HIS   4          2HB       HIS   4   2.942   0.273 -12.245
   27    HD2  HIS   4           HD2      HIS   4   3.744  -1.931 -13.923
   28    HE1  HIS   4           HE1      HIS   4  -0.195  -3.249 -14.744
   29    HE2  HIS   4           HE2      HIS   4   2.265  -3.610 -15.296
   30    H    ALA   5           H        ALA   5   4.412   0.171 -10.241
   31    HA   ALA   5           HA       ALA   5   4.286   0.453  -7.432
   32   1HB   ALA   5          2HB       ALA   5   6.346   0.417  -8.775
   33   2HB   ALA   5          3HB       ALA   5   5.941   2.009  -9.458
   34   3HB   ALA   5          1HB       ALA   5   6.285   1.842  -7.726
   35    H    GLY   6           H        GLY   6   1.957   1.290  -7.472
   36   1HA   GLY   6          1HA       GLY   6   1.782   4.285  -7.417
   37   2HA   GLY   6          2HA       GLY   6   0.471   3.171  -7.782
   38    H    GLN   7           H        GLN   7   0.883   5.324  -5.728
   39    HA   GLN   7           HA       GLN   7   0.741   4.238  -3.105
   40   1HB   GLN   7          1HB       GLN   7   0.781   6.811  -4.292
   41   2HB   GLN   7          2HB       GLN   7  -0.743   6.771  -3.441
   42   1HG   GLN   7          1HG       GLN   7   1.971   6.133  -2.189
   43   2HG   GLN   7          2HG       GLN   7   1.178   7.711  -2.175
   44   1HE2  GLN   7          2HE2      GLN   7  -0.025   6.735   0.971
   45   2HE2  GLN   7          1HE2      GLN   7   1.239   7.687   0.180
   46    H    CYS   8           H        CYS   8  -0.904   3.004  -2.204
   47    HA   CYS   8           HA       CYS   8  -3.521   2.684  -3.483
   48   1HB   CYS   8          1HB       CYS   8  -4.062   1.273  -1.512
   49   2HB   CYS   8          2HB       CYS   8  -2.613   0.818  -2.409
   50    H    GLY   9           H        GLY   9  -2.355   4.954  -1.195
   51   1HA   GLY   9          2HA       GLY   9  -4.240   6.813  -1.803
   52   2HA   GLY   9          1HA       GLY   9  -4.964   6.064  -0.379
   53    H    GLY  10           H        GLY  10  -3.956   6.362   1.634
   54   1HA   GLY  10          2HA       GLY  10  -1.539   8.086   1.955
   55   2HA   GLY  10          1HA       GLY  10  -3.069   8.645   2.636
   56    H    ILE  11           H        ILE  11  -0.304   7.225   3.634
   57    HA   ILE  11           HA       ILE  11  -0.999   4.785   4.684
   58    HB   ILE  11           HB       ILE  11   1.277   6.094   4.501
   59   1HG1  ILE  11          2HG1      ILE  11   0.674   3.536   5.120
   60   2HG1  ILE  11          1HG1      ILE  11   2.278   4.193   4.924
   61   1HG2  ILE  11          2HG2      ILE  11   0.849   7.631   6.374
   62   2HG2  ILE  11          3HG2      ILE  11   0.885   6.280   7.509
   63   3HG2  ILE  11          1HG2      ILE  11   2.332   6.699   6.581
   64   1HD1  ILE  11          3HD1      ILE  11   0.864   3.835   7.590
   65   2HD1  ILE  11          1HD1      ILE  11   2.097   2.766   6.889
   66   3HD1  ILE  11          2HD1      ILE  11   2.536   4.412   7.359
   67    H    GLY  12           H        GLY  12  -1.685   3.909   6.679
   68   1HA   GLY  12          2HA       GLY  12  -3.658   4.371   8.341
   69   2HA   GLY  12          1HA       GLY  12  -4.099   5.634   7.185
   70    H    TYR  13           H        TYR  13  -3.889   4.755   4.793
   71    HA   TYR  13           HA       TYR  13  -5.013   2.171   4.119
   72   1HB   TYR  13          1HB       TYR  13  -3.285   4.198   2.688
   73   2HB   TYR  13          2HB       TYR  13  -3.424   2.579   2.064
   74    HD1  TYR  13           HD2      TYR  13  -5.630   5.464   3.142
   75    HD2  TYR  13           HD1      TYR  13  -5.207   1.928   0.680
   76    HE1  TYR  13           HE2      TYR  13  -7.828   5.932   2.050
   77    HE2  TYR  13           HE1      TYR  13  -7.401   2.403  -0.367
   78    HH   TYR  13           HH       TYR  13  -9.144   3.805  -0.473
   79    H    SER  14           H        SER  14  -4.237   0.968   5.725
   80    HA   SER  14           HA       SER  14  -1.580  -0.352   5.646
   81   1HB   SER  14          1HB       SER  14  -2.459   1.456   7.966
   82   2HB   SER  14          2HB       SER  14  -0.980   0.482   7.895
   83    HG   SER  14           HG       SER  14  -0.893   1.875   5.724
   84    H    GLY  15           H        GLY  15  -4.508   0.216   7.620
   85   1HA   GLY  15          1HA       GLY  15  -4.738  -2.611   8.503
   86   2HA   GLY  15          2HA       GLY  15  -5.868  -1.284   8.790
   87    HA   PRO  16           HA       PRO  16  -7.715  -4.203   5.650
   88   1HB   PRO  16          2HB       PRO  16 -10.150  -3.287   7.201
   89   2HB   PRO  16          1HB       PRO  16  -9.816  -4.883   6.473
   90   1HG   PRO  16          2HG       PRO  16  -9.384  -4.545   9.112
   91   2HG   PRO  16          1HG       PRO  16  -8.101  -5.321   8.137
   92   1HD   PRO  16          1HD       PRO  16  -8.274  -2.398   8.971
   93   2HD   PRO  16          2HD       PRO  16  -6.908  -3.536   9.147
   94    H    THR  17           H        THR  17  -6.912  -2.295   4.273
   95    HA   THR  17           HA       THR  17  -9.146  -1.795   2.460
   96    HB   THR  17           HB       THR  17  -9.402   0.212   3.693
   97    HG1  THR  17           HG1      THR  17  -8.904   1.685   1.927
   98   1HG2  THR  17          2HG2      THR  17  -7.136   0.531   4.657
   99   2HG2  THR  17          3HG2      THR  17  -6.518   0.934   3.043
  100   3HG2  THR  17          1HG2      THR  17  -7.713   1.982   3.815
  101    H    VAL  18           H        VAL  18  -7.934  -3.482   1.520
  102    HA   VAL  18           HA       VAL  18  -5.205  -2.957   0.565
  103    HB   VAL  18           HB       VAL  18  -5.706  -4.967   1.808
  104   1HG1  VAL  18          2HG1      VAL  18  -8.014  -5.448   0.992
  105   2HG1  VAL  18          3HG1      VAL  18  -7.338  -5.929  -0.577
  106   3HG1  VAL  18          1HG1      VAL  18  -6.936  -6.842   0.886
  107   1HG2  VAL  18          3HG2      VAL  18  -3.796  -4.918   0.236
  108   2HG2  VAL  18          1HG2      VAL  18  -4.478  -6.539   0.438
  109   3HG2  VAL  18          2HG2      VAL  18  -4.830  -5.614  -1.032
  110    H    CYS  19           H        CYS  19  -4.579  -2.560  -1.419
  111    HA   CYS  19           HA       CYS  19  -6.528  -2.058  -3.571
  112   1HB   CYS  19          1HB       CYS  19  -5.056  -0.344  -2.855
  113   2HB   CYS  19          2HB       CYS  19  -3.611  -1.331  -3.097
  114    H    ALA  20           H        ALA  20  -4.080  -4.496  -3.018
  115    HA   ALA  20           HA       ALA  20  -4.367  -5.538  -5.821
  116   1HB   ALA  20          3HB       ALA  20  -1.843  -4.704  -4.373
  117   2HB   ALA  20          1HB       ALA  20  -1.852  -5.702  -5.842
  118   3HB   ALA  20          2HB       ALA  20  -2.484  -4.068  -5.898
  119    H    SER  21           H        SER  21  -1.990  -6.609  -3.368
  120    HA   SER  21           HA       SER  21  -3.527  -9.145  -3.019
  121   1HB   SER  21          1HB       SER  21  -2.359  -9.240  -5.114
  122   2HB   SER  21          2HB       SER  21  -0.800  -8.887  -4.354
  123    HG   SER  21           HG       SER  21  -2.342 -11.077  -3.444
  124    H    GLY  22           H        GLY  22  -0.103  -8.268  -2.274
  125   1HA   GLY  22          2HA       GLY  22   0.170 -10.521  -0.710
  126   2HA   GLY  22          1HA       GLY  22   1.245  -9.144  -0.606
  127    H    THR  23           H        THR  23  -1.817 -10.327   0.732
  128    HA   THR  23           HA       THR  23  -2.892 -10.261   2.658
  129    HB   THR  23           HB       THR  23  -1.031 -11.294   3.772
  130    HG1  THR  23           HG1      THR  23  -2.279  -9.320   5.368
  131   1HG2  THR  23          2HG2      THR  23  -0.113  -8.490   4.583
  132   2HG2  THR  23          3HG2      THR  23   0.363  -9.992   5.383
  133   3HG2  THR  23          1HG2      THR  23   0.825  -9.730   3.715
  134    H    THR  24           H        THR  24  -0.682  -7.479   2.658
  135    HA   THR  24           HA       THR  24  -2.968  -5.577   2.877
  136    HB   THR  24           HB       THR  24  -1.645  -4.210   4.511
  137    HG1  THR  24           HG1      THR  24   0.418  -5.030   4.131
  138   1HG2  THR  24          2HG2      THR  24  -3.427  -5.861   5.229
  139   2HG2  THR  24          3HG2      THR  24  -2.125  -7.012   5.591
  140   3HG2  THR  24          1HG2      THR  24  -2.216  -5.467   6.459
  141    H    CYS  25           H        CYS  25  -2.366  -3.364   2.186
  142    HA   CYS  25           HA       CYS  25  -0.602  -3.144  -0.065
  143   1HB   CYS  25          1HB       CYS  25  -2.549  -1.638   0.539
  144   2HB   CYS  25          2HB       CYS  25  -1.530  -0.928   1.799
  145    H    GLN  26           H        GLN  26   1.563  -2.378  -0.241
  146    HA   GLN  26           HA       GLN  26   3.369  -3.100   1.920
  147   1HB   GLN  26          1HB       GLN  26   3.792  -3.534  -0.481
  148   2HB   GLN  26          2HB       GLN  26   3.742  -1.815  -0.823
  149   1HG   GLN  26          2HG       GLN  26   6.004  -2.676  -0.922
  150   2HG   GLN  26          1HG       GLN  26   5.861  -1.434   0.305
  151   1HE2  GLN  26          2HE2      GLN  26   6.133  -5.010   2.153
  152   2HE2  GLN  26          1HE2      GLN  26   4.654  -4.643   1.252
  153    H    VAL  27           H        VAL  27   5.322  -1.536   2.517
  154    HA   VAL  27           HA       VAL  27   4.506   1.315   2.599
  155    HB   VAL  27           HB       VAL  27   3.866   0.213   4.727
  156   1HG1  VAL  27          3HG2      VAL  27   5.868  -1.321   4.980
  157   2HG1  VAL  27          1HG2      VAL  27   6.852   0.113   5.355
  158   3HG1  VAL  27          2HG2      VAL  27   5.510  -0.340   6.415
  159   1HG2  VAL  27          2HG1      VAL  27   4.198   2.632   4.567
  160   2HG2  VAL  27          3HG1      VAL  27   4.723   2.027   6.145
  161   3HG2  VAL  27          1HG1      VAL  27   5.924   2.425   4.907
  162    H    LEU  28           H        LEU  28   5.981   2.566   1.696
  163    HA   LEU  28           HA       LEU  28   8.812   1.662   1.335
  164   1HB   LEU  28          1HB       LEU  28   6.976   3.586  -0.089
  165   2HB   LEU  28          2HB       LEU  28   8.714   3.849  -0.175
  166    HG   LEU  28           HG       LEU  28   9.124   1.734  -1.193
  167   1HD1  LEU  28          1HD2      LEU  28   6.146   1.169  -0.833
  168   2HD1  LEU  28          2HD2      LEU  28   7.225   0.233  -1.890
  169   3HD1  LEU  28          3HD2      LEU  28   7.512   0.257  -0.148
  170   1HD2  LEU  28          2HD1      LEU  28   8.383   3.668  -2.611
  171   2HD2  LEU  28          3HD1      LEU  28   7.965   2.099  -3.324
  172   3HD2  LEU  28          1HD1      LEU  28   6.715   3.067  -2.515
  173    H    ASN  29           H        ASN  29   7.283   4.788   2.015
  174    HA   ASN  29           HA       ASN  29   9.600   5.652   3.732
  175   1HB   ASN  29          1HB       ASN  29   7.212   7.335   2.897
  176   2HB   ASN  29          2HB       ASN  29   8.822   7.875   3.426
  177   1HD2  ASN  29          1HD2      ASN  29   8.481   8.164  -0.304
  178   2HD2  ASN  29          2HD2      ASN  29   7.316   8.629   0.945
  179    HA   PRO  30           HA       PRO  30   5.972   5.486   6.812
  180   1HB   PRO  30          2HB       PRO  30   5.536   8.340   7.355
  181   2HB   PRO  30          1HB       PRO  30   6.075   7.058   8.449
  182   1HG   PRO  30          1HG       PRO  30   7.763   9.090   7.605
  183   2HG   PRO  30          2HG       PRO  30   8.325   7.451   8.023
  184   1HD   PRO  30          1HD       PRO  30   7.726   8.560   5.275
  185   2HD   PRO  30          2HD       PRO  30   9.158   7.625   5.819
  186    H    TYR  31           H        TYR  31   5.361   8.669   5.229
  187    HA   TYR  31           HA       TYR  31   2.718   7.847   4.364
  188   1HB   TYR  31          1HB       TYR  31   4.283  10.411   4.006
  189   2HB   TYR  31          2HB       TYR  31   2.642  10.182   3.432
  190    HD1  TYR  31           HD2      TYR  31   0.724   9.932   4.916
  191    HD2  TYR  31           HD1      TYR  31   4.703  10.541   6.495
  192    HE1  TYR  31           HE2      TYR  31  -0.219  10.219   7.195
  193    HE2  TYR  31           HE1      TYR  31   3.732  10.847   8.776
  194    HH   TYR  31           HH       TYR  31   0.254  10.421   9.384
  195    H    TYR  32           H        TYR  32   4.232   6.047   3.111
  196    HA   TYR  32           HA       TYR  32   3.152   6.430   0.419
  197   1HB   TYR  32          1HB       TYR  32   5.524   7.213   0.235
  198   2HB   TYR  32          2HB       TYR  32   6.048   5.576   0.550
  199    HD1  TYR  32           HD1      TYR  32   4.158   3.888  -1.166
  200    HD2  TYR  32           HD2      TYR  32   6.095   7.685  -1.994
  201    HE1  TYR  32           HE1      TYR  32   3.658   3.645  -3.542
  202    HE2  TYR  32           HE2      TYR  32   5.839   7.232  -4.424
  203    HH   TYR  32           HH       TYR  32   5.038   5.760  -6.017
  204    H    SER  33           H        SER  33   1.669   4.873   0.752
  205    HA   SER  33           HA       SER  33   2.560   2.125   1.396
  206   1HB   SER  33          1HB       SER  33   0.950   2.986   2.942
  207   2HB   SER  33          2HB       SER  33  -0.180   3.412   1.642
  208    HG   SER  33           HG       SER  33  -0.560   1.355   2.784
  209    H    GLN  34           H        GLN  34   2.498   0.545  -0.189
  210    HA   GLN  34           HA       GLN  34   1.646   1.541  -2.889
  211   1HB   GLN  34          1HB       GLN  34   4.069   1.634  -2.308
  212   2HB   GLN  34          2HB       GLN  34   4.105  -0.124  -2.371
  213   1HG   GLN  34          1HG       GLN  34   3.445  -0.072  -4.750
  214   2HG   GLN  34          2HG       GLN  34   3.174   1.666  -4.685
  215   1HE2  GLN  34          2HE2      GLN  34   6.567   2.324  -5.396
  216   2HE2  GLN  34          1HE2      GLN  34   4.941   3.004  -5.346
  217    H    CYS  35           H        CYS  35   0.770   0.363  -4.412
  218    HA   CYS  35           HA       CYS  35  -0.855  -1.902  -3.613
  219   1HB   CYS  35          1HB       CYS  35  -1.604   0.208  -4.687
  220   2HB   CYS  35          2HB       CYS  35  -0.714  -0.211  -6.142
  221    H    LEU  36           H        LEU  36   0.426  -3.851  -3.601
  222    HA   LEU  36           HA       LEU  36   1.619  -4.873  -6.166
  223   1HB   LEU  36          1HB       LEU  36   2.430  -5.038  -3.256
  224   2HB   LEU  36          2HB       LEU  36   2.940  -6.284  -4.377
  225    HG   LEU  36           HG       LEU  36   4.266  -4.882  -5.684
  226   1HD1  LEU  36          1HD2      LEU  36   3.097  -2.503  -4.180
  227   2HD1  LEU  36          2HD2      LEU  36   4.559  -2.426  -5.186
  228   3HD1  LEU  36          3HD2      LEU  36   3.021  -2.841  -5.932
  229   1HD2  LEU  36          3HD1      LEU  36   5.177  -5.633  -3.494
  230   2HD2  LEU  36          1HD1      LEU  36   5.873  -4.071  -3.970
  231   3HD2  LEU  36          2HD1      LEU  36   4.594  -4.134  -2.739
   
  No H/Q in entry =         231
  Start of MODEL   23
    1   1H    THR   1          1H        THR   1 -10.293 -10.141  -6.864
    2   2H    THR   1          2H        THR   1  -8.726 -10.433  -7.259
    3   3H    THR   1          3H        THR   1  -9.359 -11.141  -5.915
    4    HA   THR   1           HA       THR   1  -9.351  -9.064  -4.763
    5    HB   THR   1           HB       THR   1  -6.927  -8.242  -5.176
    6    HG1  THR   1           HG1      THR   1  -6.280  -8.645  -7.111
    7   1HG2  THR   1          2HG2      THR   1  -7.400 -10.165  -3.628
    8   2HG2  THR   1          3HG2      THR   1  -7.186 -11.285  -4.991
    9   3HG2  THR   1          1HG2      THR   1  -5.845 -10.263  -4.466
   10    H    GLN   2           H        GLN   2  -8.481  -6.640  -4.941
   11    HA   GLN   2           HA       GLN   2  -9.362  -5.278  -7.414
   12   1HB   GLN   2          2HB       GLN   2  -9.784  -4.228  -5.253
   13   2HB   GLN   2          1HB       GLN   2  -8.080  -4.333  -4.807
   14   1HG   GLN   2          1HG       GLN   2  -8.798  -2.047  -5.445
   15   2HG   GLN   2          2HG       GLN   2  -7.494  -2.642  -6.443
   16   1HE2  GLN   2          2HE2      GLN   2  -9.420  -1.483  -9.167
   17   2HE2  GLN   2          1HE2      GLN   2  -7.921  -1.270  -8.254
   18    H    SER   3           H        SER   3  -7.518  -3.752  -8.321
   19    HA   SER   3           HA       SER   3  -4.782  -4.810  -8.147
   20   1HB   SER   3          1HB       SER   3  -5.750  -6.276  -9.859
   21   2HB   SER   3          2HB       SER   3  -6.226  -4.867 -10.829
   22    HG   SER   3           HG       SER   3  -3.987  -4.313 -10.932
   23    H    HIS   4           H        HIS   4  -5.422  -2.474  -7.106
   24    HA   HIS   4           HA       HIS   4  -4.810  -0.278  -9.006
   25   1HB   HIS   4          1HB       HIS   4  -6.517  -0.002  -7.204
   26   2HB   HIS   4          2HB       HIS   4  -5.239  -0.207  -6.006
   27    HD2  HIS   4           HD2      HIS   4  -6.608   2.572  -5.764
   28    HE1  HIS   4           HE1      HIS   4  -3.450   4.122  -8.129
   29    HE2  HIS   4           HE2      HIS   4  -5.287   4.736  -6.465
   30    H    ALA   5           H        ALA   5  -2.695  -0.323  -9.640
   31    HA   ALA   5           HA       ALA   5  -0.580  -1.480  -8.038
   32   1HB   ALA   5          2HB       ALA   5  -0.675  -1.701 -10.487
   33   2HB   ALA   5          3HB       ALA   5  -0.424   0.051 -10.665
   34   3HB   ALA   5          1HB       ALA   5   0.847  -0.971  -9.962
   35    H    GLY   6           H        GLY   6   1.486  -0.484  -7.555
   36   1HA   GLY   6          1HA       GLY   6   2.912   1.267  -6.926
   37   2HA   GLY   6          2HA       GLY   6   1.627   2.451  -7.111
   38    H    GLN   7           H        GLN   7  -0.108   2.432  -5.360
   39    HA   GLN   7           HA       GLN   7   1.247   2.277  -2.766
   40   1HB   GLN   7          1HB       GLN   7  -0.097   4.236  -3.510
   41   2HB   GLN   7          2HB       GLN   7  -1.564   3.267  -3.304
   42   1HG   GLN   7          2HG       GLN   7  -1.026   2.972  -0.890
   43   2HG   GLN   7          1HG       GLN   7   0.536   3.775  -1.140
   44   1HE2  GLN   7          2HE2      GLN   7  -1.280   6.462   0.296
   45   2HE2  GLN   7          1HE2      GLN   7  -0.231   5.103   0.724
   46    H    CYS   8           H        CYS   8   0.601   1.124  -0.904
   47    HA   CYS   8           HA       CYS   8  -1.195  -1.253  -1.303
   48   1HB   CYS   8          1HB       CYS   8   1.057  -1.724  -0.392
   49   2HB   CYS   8          2HB       CYS   8   0.719  -0.650   0.971
   50    H    GLY   9           H        GLY   9  -0.570   1.281   1.116
   51   1HA   GLY   9          1HA       GLY   9  -3.092   2.398   1.541
   52   2HA   GLY   9          2HA       GLY   9  -3.122   0.920   2.507
   53    H    GLY  10           H        GLY  10  -1.729   4.134   2.238
   54   1HA   GLY  10          1HA       GLY  10   0.257   3.854   4.361
   55   2HA   GLY  10          2HA       GLY  10  -0.299   5.360   3.618
   56    H    ILE  11           H        ILE  11   0.307   5.016   6.398
   57    HA   ILE  11           HA       ILE  11  -2.029   5.023   8.057
   58    HB   ILE  11           HB       ILE  11   0.560   6.600   8.282
   59   1HG1  ILE  11          2HG1      ILE  11  -0.327   3.967   9.569
   60   2HG1  ILE  11          1HG1      ILE  11   0.862   4.137   8.278
   61   1HG2  ILE  11          2HG2      ILE  11  -1.240   7.658   9.638
   62   2HG2  ILE  11          3HG2      ILE  11  -1.532   6.098  10.438
   63   3HG2  ILE  11          1HG2      ILE  11   0.012   6.953  10.637
   64   1HD1  ILE  11          2HD1      ILE  11   2.222   5.621   9.865
   65   2HD1  ILE  11          3HD1      ILE  11   1.153   5.027  11.157
   66   3HD1  ILE  11          1HD1      ILE  11   2.144   3.887  10.231
   67    H    GLY  12           H        GLY  12  -3.666   6.530   8.334
   68   1HA   GLY  12          2HA       GLY  12  -4.893   8.510   8.006
   69   2HA   GLY  12          1HA       GLY  12  -3.597   9.216   7.047
   70    H    TYR  13           H        TYR  13  -3.211   7.467   4.980
   71    HA   TYR  13           HA       TYR  13  -5.703   7.483   3.407
   72   1HB   TYR  13          1HB       TYR  13  -3.338   7.962   2.576
   73   2HB   TYR  13          2HB       TYR  13  -3.089   6.224   2.560
   74    HD1  TYR  13           HD1      TYR  13  -6.215   5.772   1.518
   75    HD2  TYR  13           HD2      TYR  13  -2.872   8.221   0.237
   76    HE1  TYR  13           HE1      TYR  13  -7.021   5.673  -0.796
   77    HE2  TYR  13           HE2      TYR  13  -3.776   8.177  -2.083
   78    HH   TYR  13           HH       TYR  13  -6.417   6.053  -3.005
   79    H    SER  14           H        SER  14  -6.438   6.141   5.475
   80    HA   SER  14           HA       SER  14  -6.030   3.240   5.328
   81   1HB   SER  14          1HB       SER  14  -7.829   4.923   7.127
   82   2HB   SER  14          2HB       SER  14  -7.458   3.205   7.331
   83    HG   SER  14           HG       SER  14  -5.136   4.014   7.274
   84    H    GLY  15           H        GLY  15  -6.934   3.767   2.961
   85   1HA   GLY  15          1HA       GLY  15  -9.768   2.751   2.810
   86   2HA   GLY  15          2HA       GLY  15  -9.147   3.973   1.720
   87    HA   PRO  16           HA       PRO  16  -7.646  -0.549   0.534
   88   1HB   PRO  16          1HB       PRO  16 -10.338  -0.776  -0.851
   89   2HB   PRO  16          2HB       PRO  16  -9.259  -2.082  -0.283
   90   1HG   PRO  16          2HG       PRO  16 -11.342  -1.332   1.261
   91   2HG   PRO  16          1HG       PRO  16  -9.729  -1.484   2.026
   92   1HD   PRO  16          1HD       PRO  16 -11.085   1.049   1.016
   93   2HD   PRO  16          2HD       PRO  16 -10.326   0.719   2.603
   94    H    THR  17           H        THR  17  -6.508   1.482  -0.580
   95    HA   THR  17           HA       THR  17  -7.026   1.760  -3.483
   96    HB   THR  17           HB       THR  17  -6.358   3.697  -2.175
   97    HG1  THR  17           HG1      THR  17  -4.281   2.899  -3.921
   98   1HG2  THR  17          2HG2      THR  17  -3.681   2.289  -1.658
   99   2HG2  THR  17          3HG2      THR  17  -4.050   3.988  -1.340
  100   3HG2  THR  17          1HG2      THR  17  -4.910   2.722  -0.458
  101    H    VAL  18           H        VAL  18  -6.606  -0.844  -2.886
  102    HA   VAL  18           HA       VAL  18  -3.754  -1.448  -2.788
  103    HB   VAL  18           HB       VAL  18  -5.404  -2.050  -1.031
  104   1HG1  VAL  18          2HG1      VAL  18  -7.279  -2.788  -2.524
  105   2HG1  VAL  18          3HG1      VAL  18  -6.329  -4.231  -2.943
  106   3HG1  VAL  18          1HG1      VAL  18  -6.871  -3.974  -1.277
  107   1HG2  VAL  18          3HG2      VAL  18  -3.205  -3.124  -1.139
  108   2HG2  VAL  18          1HG2      VAL  18  -4.448  -4.191  -0.475
  109   3HG2  VAL  18          2HG2      VAL  18  -3.885  -4.433  -2.134
  110    H    CYS  19           H        CYS  19  -2.660  -3.117  -3.788
  111    HA   CYS  19           HA       CYS  19  -3.402  -3.674  -6.553
  112   1HB   CYS  19          1HB       CYS  19  -1.106  -4.323  -6.792
  113   2HB   CYS  19          2HB       CYS  19  -1.185  -2.873  -5.813
  114    H    ALA  20           H        ALA  20  -1.870  -6.177  -6.709
  115    HA   ALA  20           HA       ALA  20  -4.056  -8.125  -6.228
  116   1HB   ALA  20          2HB       ALA  20  -3.043  -7.809  -8.490
  117   2HB   ALA  20          3HB       ALA  20  -1.489  -8.358  -7.848
  118   3HB   ALA  20          1HB       ALA  20  -2.881  -9.462  -7.898
  119    H    SER  21           H        SER  21  -2.481 -10.455  -6.195
  120    HA   SER  21           HA       SER  21  -1.355 -10.502  -3.423
  121   1HB   SER  21          1HB       SER  21  -3.103 -12.164  -3.964
  122   2HB   SER  21          2HB       SER  21  -2.071 -12.821  -5.256
  123    HG   SER  21           HG       SER  21  -1.824 -13.969  -3.231
  124    H    GLY  22           H        GLY  22   0.475 -12.094  -3.193
  125   1HA   GLY  22          1HA       GLY  22   2.761 -12.603  -3.571
  126   2HA   GLY  22          2HA       GLY  22   2.656 -11.922  -5.199
  127    H    THR  23           H        THR  23   2.112 -10.719  -1.886
  128    HA   THR  23           HA       THR  23   3.527  -8.150  -2.479
  129    HB   THR  23           HB       THR  23   0.681  -8.352  -1.393
  130    HG1  THR  23           HG1      THR  23  -0.027  -7.873  -3.500
  131   1HG2  THR  23          3HG2      THR  23   2.254  -6.124  -2.775
  132   2HG2  THR  23          1HG2      THR  23   0.576  -5.998  -2.186
  133   3HG2  THR  23          2HG2      THR  23   1.905  -6.202  -1.039
  134    H    THR  24           H        THR  24   4.499  -7.224  -0.687
  135    HA   THR  24           HA       THR  24   3.898  -8.239   2.052
  136    HB   THR  24           HB       THR  24   6.337  -7.918   2.636
  137    HG1  THR  24           HG1      THR  24   6.728  -6.906   0.377
  138   1HG2  THR  24          3HG2      THR  24   5.498 -10.114   0.694
  139   2HG2  THR  24          1HG2      THR  24   6.955 -10.142   1.737
  140   3HG2  THR  24          2HG2      THR  24   5.357 -10.118   2.459
  141    H    CYS  25           H        CYS  25   3.865  -5.400   0.209
  142    HA   CYS  25           HA       CYS  25   2.728  -3.502   0.824
  143   1HB   CYS  25          1HB       CYS  25   1.276  -5.155   2.066
  144   2HB   CYS  25          2HB       CYS  25   2.187  -4.752   3.518
  145    H    GLN  26           H        GLN  26   5.110  -3.020   0.683
  146    HA   GLN  26           HA       GLN  26   6.724  -2.661   2.961
  147   1HB   GLN  26          1HB       GLN  26   7.523  -3.390   0.811
  148   2HB   GLN  26          2HB       GLN  26   7.022  -1.869   0.053
  149   1HG   GLN  26          2HG       GLN  26   9.471  -2.088   0.359
  150   2HG   GLN  26          1HG       GLN  26   8.798  -0.648   1.121
  151   1HE2  GLN  26          2HE2      GLN  26   9.847  -3.556   3.808
  152   2HE2  GLN  26          1HE2      GLN  26   8.693  -3.982   2.536
  153    H    VAL  27           H        VAL  27   7.410  -0.991   4.128
  154    HA   VAL  27           HA       VAL  27   6.129   1.651   3.904
  155    HB   VAL  27           HB       VAL  27   5.928   0.557   5.968
  156   1HG1  VAL  27          3HG2      VAL  27   7.891  -0.939   6.067
  157   2HG1  VAL  27          1HG2      VAL  27   8.966   0.458   6.268
  158   3HG1  VAL  27          2HG2      VAL  27   7.777   0.064   7.513
  159   1HG2  VAL  27          2HG1      VAL  27   6.197   3.030   5.921
  160   2HG2  VAL  27          3HG1      VAL  27   6.662   2.288   7.459
  161   3HG2  VAL  27          1HG1      VAL  27   7.915   2.831   6.331
  162    H    LEU  28           H        LEU  28   7.120   2.971   2.421
  163    HA   LEU  28           HA       LEU  28  10.036   3.413   2.364
  164   1HB   LEU  28          1HB       LEU  28   7.690   4.861   1.053
  165   2HB   LEU  28          2HB       LEU  28   9.363   5.399   0.939
  166    HG   LEU  28           HG       LEU  28  10.024   3.199  -0.028
  167   1HD1  LEU  28          3HD1      LEU  28   7.009   2.733  -0.094
  168   2HD1  LEU  28          1HD1      LEU  28   8.184   1.826  -1.068
  169   3HD1  LEU  28          2HD1      LEU  28   8.233   1.701   0.677
  170   1HD2  LEU  28          3HD2      LEU  28   9.617   5.185  -1.428
  171   2HD2  LEU  28          1HD2      LEU  28   9.108   3.713  -2.267
  172   3HD2  LEU  28          2HD2      LEU  28   7.891   4.779  -1.533
  173    H    ASN  29           H        ASN  29   7.262   5.284   3.497
  174    HA   ASN  29           HA       ASN  29   8.719   6.057   5.886
  175   1HB   ASN  29          1HB       ASN  29   8.196   8.456   5.792
  176   2HB   ASN  29          2HB       ASN  29   9.169   8.004   4.414
  177   1HD2  ASN  29          1HD2      ASN  29   6.576   8.859   2.114
  178   2HD2  ASN  29          2HD2      ASN  29   8.152   8.073   2.284
  179    HA   PRO  30           HA       PRO  30   5.212   4.599   7.789
  180   1HB   PRO  30          2HB       PRO  30   4.450   6.499   9.760
  181   2HB   PRO  30          1HB       PRO  30   5.692   5.229   9.881
  182   1HG   PRO  30          2HG       PRO  30   6.055   8.132   9.137
  183   2HG   PRO  30          1HG       PRO  30   7.060   7.136  10.226
  184   1HD   PRO  30          2HD       PRO  30   7.858   7.625   7.733
  185   2HD   PRO  30          1HD       PRO  30   8.055   5.974   8.380
  186    H    TYR  31           H        TYR  31   4.549   7.887   6.620
  187    HA   TYR  31           HA       TYR  31   1.642   7.480   6.510
  188   1HB   TYR  31          1HB       TYR  31   3.450   9.741   5.613
  189   2HB   TYR  31          2HB       TYR  31   1.696   9.778   5.569
  190    HD1  TYR  31           HD1      TYR  31   0.338   9.649   7.678
  191    HD2  TYR  31           HD2      TYR  31   4.641  10.057   7.769
  192    HE1  TYR  31           HE1      TYR  31   0.263  10.066  10.138
  193    HE2  TYR  31           HE2      TYR  31   4.545  10.430  10.229
  194    HH   TYR  31           HH       TYR  31   3.222  10.504  12.066
  195    H    TYR  32           H        TYR  32   3.919   6.156   4.520
  196    HA   TYR  32           HA       TYR  32   1.992   5.966   2.272
  197   1HB   TYR  32          1HB       TYR  32   3.615   7.945   1.930
  198   2HB   TYR  32          2HB       TYR  32   4.864   6.738   1.756
  199    HD1  TYR  32           HD1      TYR  32   2.249   4.985   0.240
  200    HD2  TYR  32           HD2      TYR  32   4.459   8.632  -0.445
  201    HE1  TYR  32           HE1      TYR  32   2.725   4.266  -2.065
  202    HE2  TYR  32           HE2      TYR  32   4.941   7.872  -2.768
  203    HH   TYR  32           HH       TYR  32   5.038   6.047  -4.109
  204    H    SER  33           H        SER  33   1.762   3.778   3.090
  205    HA   SER  33           HA       SER  33   3.963   1.864   2.615
  206   1HB   SER  33          1HB       SER  33   2.614   1.309   4.462
  207   2HB   SER  33          2HB       SER  33   1.110   1.466   3.538
  208    HG   SER  33           HG       SER  33   2.295  -0.776   3.787
  209    H    GLN  34           H        GLN  34   4.153   0.481   0.945
  210    HA   GLN  34           HA       GLN  34   2.737   1.168  -1.594
  211   1HB   GLN  34          1HB       GLN  34   4.872   2.368  -1.098
  212   2HB   GLN  34          2HB       GLN  34   5.707   0.808  -1.047
  213   1HG   GLN  34          1HG       GLN  34   5.045   0.458  -3.465
  214   2HG   GLN  34          2HG       GLN  34   4.279   2.055  -3.443
  215   1HE2  GLN  34          2HE2      GLN  34   7.351   3.723  -3.925
  216   2HE2  GLN  34          1HE2      GLN  34   5.611   3.948  -3.628
  217    H    CYS  35           H        CYS  35   2.595  -0.429  -3.212
  218    HA   CYS  35           HA       CYS  35   2.586  -3.232  -2.462
  219   1HB   CYS  35          1HB       CYS  35   0.957  -2.166  -4.011
  220   2HB   CYS  35          2HB       CYS  35   2.264  -1.935  -5.179
  221    H    LEU  36           H        LEU  36   4.964  -2.783  -1.790
  222    HA   LEU  36           HA       LEU  36   6.105  -5.012  -3.362
  223   1HB   LEU  36          1HB       LEU  36   7.728  -3.208  -1.495
  224   2HB   LEU  36          2HB       LEU  36   8.231  -4.745  -2.148
  225    HG   LEU  36           HG       LEU  36   8.019  -3.667  -4.480
  226   1HD1  LEU  36          1HD2      LEU  36   7.947  -1.145  -2.733
  227   2HD1  LEU  36          2HD2      LEU  36   8.417  -1.151  -4.440
  228   3HD1  LEU  36          3HD2      LEU  36   6.777  -1.602  -3.990
  229   1HD2  LEU  36          1HD1      LEU  36  10.160  -4.176  -3.315
  230   2HD2  LEU  36          2HD1      LEU  36  10.285  -2.688  -4.262
  231   3HD2  LEU  36          3HD1      LEU  36  10.092  -2.602  -2.499
   
  No H/Q in entry =         231