*HEADER    TRANSCRIPTION/DNA                       17-JUL-03   1O4X              
*TITLE     TERNARY COMPLEX OF THE DNA BINDING DOMAINS OF THE OCT1 AND            
*TITLE    2 SOX2 TRANSCRIPTION FACTORS WITH A 19MER OLIGONUCLEOTIDE              
*TITLE    3 FROM THE HOXB1 REGULATORY ELEMENT                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSCRIPTION FACTOR OCT-1;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: TRANSCRIPTION FACTOR SOX-2;                                
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MOL_ID: 3;                                                           
*COMPND  10 MOLECULE: 5'-                                                        
*COMPND  11 D(*TP*GP*TP*CP*TP*TP*TP*GP*TP*CP*AP*TP*GP*CP*TP*AP*AP*TP*G)          
*COMPND  12 -3';                                                                 
*COMPND  13 CHAIN: C;                                                            
*COMPND  14 ENGINEERED: YES;                                                     
*COMPND  15 MUTATION: YES;                                                       
*COMPND  16 MOL_ID: 4;                                                           
*COMPND  17 MOLECULE: 5'-                                                        
*COMPND  18 D(*CP*AP*TP*TP*AP*GP*CP*AP*TP*GP*AP*CP*AP*AP*AP*GP*AP*CP*A)          
*COMPND  19 -3';                                                                 
*COMPND  20 CHAIN: D;                                                            
*COMPND  21 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 MOL_ID: 2;                                                           
*SOURCE   7 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   8 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   9 GENE: SOX2;                                                          
*SOURCE  10 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  11 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE  12 MOL_ID: 3;                                                           
*SOURCE  13 SYNTHETIC: YES;                                                      
*SOURCE  14 MOL_ID: 4;                                                           
*SOURCE  15 SYNTHETIC: YES                                                       
*KEYWDS    OCT1, POU, POUS, POUHD, SOX2, HMG-BOX, TRANSCRIPTION                  
*KEYWDS   2 FACTORS, DNA, PROTEIN-DNA COMPLEX                                    
*EXPDTA    NMR                                                                   
*AUTHOR    G.M.CLORE, D.C.WILLIAMS                                               
*REVDAT   1   27-JAN-04 1O4X    0                                                
***************************************************************
IMPORTANT NOTE REGARDING RESIDUE NUMBERING.
RELATIVE TO COORDINATES IN ASSOCIATED PDB FILES, SUBTRACT 4 FOR
POUHD, 3 FOR POUS AND 3 FOR SOX2
***************************************************************


1. DIPOLAR COUPLINGS (ALL COUPLINGS NORMALIZED TO NH's)

Da(NH) = 10.9 Hz, rhombicity = 0.63

A. SOX2

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 206  and name N   )
       ( resid 206  and name HN  )  4.5907  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 207  and name N   )
       ( resid 207  and name HN  )  -9.7623  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 208  and name N   )
       ( resid 208  and name HN  )  -9.2239  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 209  and name N   )
       ( resid 209  and name HN  )  -1.1335  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 212  and name N   )
       ( resid 212  and name HN  )  10.6975  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 213  and name N   )
       ( resid 213  and name HN  )  -4.6049  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 214  and name N   )
       ( resid 214  and name HN  )  -21.7633  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 217  and name N   )
       ( resid 217  and name HN  )  -16.6767  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 218  and name N   )
       ( resid 218  and name HN  )  -18.1361  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 220  and name N   )
       ( resid 220  and name HN  )  -22.5851  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 221  and name N   )
       ( resid 221  and name HN  )  -13.6446  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 222  and name N   )
       ( resid 222  and name HN  )  -20.2614  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 223  and name N   )
       ( resid 223  and name HN  )  -13.5171  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 224  and name N   )
       ( resid 224  and name HN  )  -6.4610  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 226  and name N   )
       ( resid 226  and name HN  )  -16.8326  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 228  and name N   )
       ( resid 228  and name HN  )  -13.3895  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 229  and name N   )
       ( resid 229  and name HN  )  -18.7879  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 230  and name N   )
       ( resid 230  and name HN  )  -0.5384  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 232  and name N   )
       ( resid 232  and name HN  )  11.2642  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 233  and name N   )
       ( resid 233  and name HN  )  4.5624  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 234  and name N   )
       ( resid 234  and name HN  )  16.8326  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 237  and name N   )
       ( resid 237  and name HN  )  -10.3716  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 239  and name N   )
       ( resid 239  and name HN  )  -0.3401  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 241  and name N   )
       ( resid 241  and name HN  )  -1.9978  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 242  and name N   )
       ( resid 242  and name HN  )  4.6474  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 244  and name N   )
       ( resid 244  and name HN  )  -11.3067  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 245  and name N   )
       ( resid 245  and name HN  )  2.3520  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 246  and name N   )
       ( resid 246  and name HN  )  3.1455  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 247  and name N   )
       ( resid 247  and name HN  )  -4.0806  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 248  and name N   )
       ( resid 248  and name HN  )  -4.2223  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 249  and name N   )
       ( resid 249  and name HN  )  8.9689  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 251  and name N   )
       ( resid 251  and name HN  )  17.9377  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 252  and name N   )
       ( resid 252  and name HN  )  22.6418  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 253  and name N   )
       ( resid 253  and name HN  )  20.2756  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 254  and name N   )
       ( resid 254  and name HN  )  13.6729  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 255  and name N   )
       ( resid 255  and name HN  )  21.9192  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 257  and name N   )
       ( resid 257  and name HN  )  21.4516  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 258  and name N   )
       ( resid 258  and name HN  )  15.5290  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 260  and name N   )
       ( resid 260  and name HN  )  9.2381  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 261  and name N   )
       ( resid 261  and name HN  )  20.1906  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 262  and name N   )
       ( resid 262  and name HN  )  14.4664  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 264  and name N   )
       ( resid 264  and name HN  )  19.7797  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 265  and name N   )
       ( resid 265  and name HN  )  19.0712  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 266  and name N   )
       ( resid 266  and name HN  )  9.2097  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 267  and name N   )
       ( resid 267  and name HN  )  14.5372  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 271  and name N   )
       ( resid 271  and name HN  )  19.1704  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 272  and name N   )
       ( resid 272  and name HN  )  23.0102  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 274  and name N   )
       ( resid 274  and name HN  )  -7.1269  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 277  and name N   )
       ( resid 277  and name HN  )  -7.5662  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 278  and name N   )
       ( resid 278  and name HN  )  -13.2904  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 280  and name N   )
       ( resid 280  and name HN  )  -13.8429  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 207  and name C   )
       ( resid 208  and name N   )  -13.2422  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 208  and name C   )
       ( resid 209  and name N   )  -5.3459  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 211  and name C   )
       ( resid 212  and name N   )  -10.1619  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 212  and name C   )
       ( resid 213  and name N   )  12.8880  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 213  and name C   )
       ( resid 214  and name N   )  9.0284  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 216  and name C   )
       ( resid 217  and name N   )  1.7938  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 219  and name C   )
       ( resid 220  and name N   )  19.5572  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 220  and name C   )
       ( resid 221  and name N   )  10.3503  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 222  and name C   )
       ( resid 223  and name N   )  4.4263  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 223  and name C   )
       ( resid 224  and name N   )  16.7830  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 224  and name C   )
       ( resid 225  and name N   )  7.2233  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 225  and name C   )
       ( resid 226  and name N   )  -0.1063  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 228  and name C   )
       ( resid 229  and name N   )  4.0480  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 229  and name C   )
       ( resid 230  and name N   )  0.4251  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 231  and name C   )
       ( resid 232  and name N   )  13.5851  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 232  and name C   )
       ( resid 233  and name N   )  -8.4390  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 237  and name C   )
       ( resid 238  and name N   )  16.3466  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 239  and name C   )
       ( resid 240  and name N   )  9.9267  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 240  and name C   )
       ( resid 241  and name N   )  -9.3004  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 241  and name C   )
       ( resid 242  and name N   )  18.3883  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 243  and name C   )
       ( resid 244  and name N   )  -2.7856  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 244  and name C   )
       ( resid 245  and name N   )  0.4959  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 246  and name C   )
       ( resid 247  and name N   )  17.9165  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 247  and name C   )
       ( resid 248  and name N   )  -9.2055  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 248  and name C   )
       ( resid 249  and name N   )  20.4655  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 249  and name C   )
       ( resid 250  and name N   )  -2.1480  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 250  and name C   )
       ( resid 251  and name N   )  -20.1821  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 252  and name C   )
       ( resid 253  and name N   )  -6.3151  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 258  and name C   )
       ( resid 259  and name N   )  7.1411  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 260  and name C   )
       ( resid 261  and name N   )  4.7806  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 261  and name C   )
       ( resid 262  and name N   )  2.2302  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 262  and name C   )
       ( resid 263  and name N   )  -8.7223  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 263  and name C   )
       ( resid 264  and name N   )  -1.4041  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 264  and name C   )
       ( resid 265  and name N   )  -2.1367  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 265  and name C   )
       ( resid 266  and name N   )  5.8546  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 271  and name C   )
       ( resid 272  and name N   )  4.3427  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 275  and name C   )
       ( resid 276  and name N   )  -0.9677  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 276  and name C   )
       ( resid 277  and name N   )  16.9247  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 279  and name C   )
       ( resid 280  and name N   )  -16.2757  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 207  and name C   )
       ( resid 207  and name CA  )  12.2971  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 208  and name C   )
       ( resid 208  and name CA  )  23.5316  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 209  and name C   )
       ( resid 209  and name CA  )  -3.1880  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 211  and name C   )
       ( resid 211  and name CA  )  15.0303  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 212  and name C   )
       ( resid 212  and name CA  )  1.8972  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 213  and name C   )
       ( resid 213  and name CA  )  -9.5640  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 220  and name C   )
       ( resid 220  and name CA  )  -3.9474  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 221  and name C   )
       ( resid 221  and name CA  )  6.6792  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 222  and name C   )
       ( resid 222  and name CA  )  -4.0225  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 224  and name C   )
       ( resid 224  and name CA  )  -4.6304  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 226  and name C   )
       ( resid 226  and name CA  )  -10.4750  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 227  and name C   )
       ( resid 227  and name CA  )  -15.1819  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 228  and name C   )
       ( resid 228  and name CA  )  6.9073  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 231  and name C   )
       ( resid 231  and name CA  )  -4.5539  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 232  and name C   )
       ( resid 232  and name CA  )  -14.3459  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 233  and name C   )
       ( resid 233  and name CA  )  4.7069  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 236  and name C   )
       ( resid 236  and name CA  )  23.6067  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 237  and name C   )
       ( resid 237  and name CA  )  0.7594  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 238  and name C   )
       ( resid 238  and name CA  )  -21.4063  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 239  and name C   )
       ( resid 239  and name CA  )  19.7358  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 240  and name C   )
       ( resid 240  and name CA  )  13.5879  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 243  and name C   )
       ( resid 243  and name CA  )  26.1117  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 244  and name C   )
       ( resid 244  and name CA  )  1.2908  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 246  and name C   )
       ( resid 246  and name CA  )  -1.1392  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 247  and name C   )
       ( resid 247  and name CA  )  0.5313  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 248  and name C   )
       ( resid 248  and name CA  )  2.7332  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 249  and name C   )
       ( resid 249  and name CA  )  -13.5879  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 251  and name C   )
       ( resid 251  and name CA  )  10.2469  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 252  and name C   )
       ( resid 252  and name CA  )  -6.2244  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 253  and name C   )
       ( resid 253  and name CA  )  15.4086  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 254  and name C   )
       ( resid 254  and name CA  )  3.3396  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 260  and name C   )
       ( resid 260  and name CA  )  -0.8345  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 261  and name C   )
       ( resid 261  and name CA  )  -19.0528  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 262  and name C   )
       ( resid 262  and name CA  )  17.2307  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 263  and name C   )
       ( resid 263  and name CA  )  1.8972  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 266  and name C   )
       ( resid 266  and name CA  )  14.3459  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 267  and name C   )
       ( resid 267  and name CA  )  -2.7332  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 269  and name C   )
       ( resid 269  and name CA  )  7.9700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 270  and name C   )
       ( resid 270  and name CA  )  4.9336  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 271  and name C   )
       ( resid 271  and name CA  )  3.3396  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 273  and name C   )
       ( resid 273  and name CA  )  -1.5940  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 274  and name C   )
       ( resid 274  and name CA  )  -0.2281  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 275  and name C   )
       ( resid 275  and name CA  )  7.5152  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 276  and name C   )
       ( resid 276  and name CA  )  -4.0225  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 277  and name C   )
       ( resid 277  and name CA  )  -2.7332  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 279  and name C   )
       ( resid 279  and name CA  )  5.7695  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 280  and name C   )
       ( resid 280  and name CA  )  13.8911  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 281  and name C   )
       ( resid 281  and name CA  )  -12.3722  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 282  and name C   )
       ( resid 282  and name CA  )  -7.2105  0.2000


B. OCT1

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name N   )
       ( resid 10   and name HN  )   2.460 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name N   )
       ( resid 11   and name HN  )  -7.060 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name N   )
       ( resid 13   and name HN  )  -1.900 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name N   )
       ( resid 15   and name HN  ) -14.190 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name N   )
       ( resid 17   and name HN  )  -1.490 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name N   )
       ( resid 18   and name HN  )  -4.240 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name N   )
       ( resid 20   and name HN  )  -6.000 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name N   )
       ( resid 21   and name HN  )   5.550 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name N   )
       ( resid 22   and name HN  )  -4.840 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23   and name N   )
       ( resid 23   and name HN  ) -10.160 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24   and name N   )
       ( resid 24   and name HN  )   0.870 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name N   )
       ( resid 27   and name HN  )  -7.560 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name N   )
       ( resid 28   and name HN  )  21.360 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 30   and name N   )
       ( resid 30   and name HN  )  19.520 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name N   )
       ( resid 31   and name HN  ) -12.500 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 32   and name N   )
       ( resid 32   and name HN  ) -20.040 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 34   and name N   )
       ( resid 34   and name HN  )   1.500 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name N   )
       ( resid 40   and name HN  )  -6.850 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 43   and name N   )
       ( resid 43   and name HN  ) -14.190 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 52   and name N   )
       ( resid 52   and name HN  )  20.150 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 53   and name N   )
       ( resid 53   and name HN  )  23.420 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 54   and name N   )
       ( resid 54   and name HN  )  21.030 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 56   and name N   )
       ( resid 56   and name HN  )  17.470 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 58   and name N   )
       ( resid 58   and name HN  )   5.590 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 60   and name N   )
       ( resid 60   and name HN  )  17.500 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 61   and name N   )
       ( resid 61   and name HN  )  10.550 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 62   and name N   )
       ( resid 62   and name HN  )   3.210 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 63   and name N   )
       ( resid 63   and name HN  )   6.350 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 64   and name N   )
       ( resid 64   and name HN  )   8.020 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 65   and name N   )
       ( resid 65   and name HN  )   5.290 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 70   and name N   )
       ( resid 70   and name HN  )   6.270 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 72   and name N   )
       ( resid 72   and name HN  )  -9.540 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 73   and name N   )
       ( resid 73   and name HN  )  -3.120 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 74   and name N   )
       ( resid 74   and name HN  )  -2.430 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 75   and name N   )
       ( resid 75   and name HN  )  -9.580 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 77   and name N   )
       ( resid 77   and name HN  )  -0.050 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 78   and name N   )
       ( resid 78   and name HN  )  -0.750 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 79   and name N   )
       ( resid 79   and name HN  ) -12.880 0.2000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 110   and name N   )
       ( resid 110   and name HN  )  13.100 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 111   and name N   )
       ( resid 111   and name HN  )  19.360 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 112   and name N   )
       ( resid 112   and name HN  )   5.290 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 115   and name N   )
       ( resid 115   and name HN  )  -3.590 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 116   and name N   )
       ( resid 116   and name HN  ) -11.460 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 117   and name N   )
       ( resid 117   and name HN  )  -5.820 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 118   and name N   )
       ( resid 118   and name HN  )  -5.740 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 119   and name N   )
       ( resid 119   and name HN  )  -9.740 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 121   and name N   )
       ( resid 121   and name HN  )  -1.670 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 122   and name N   )
       ( resid 122   and name HN  )  -2.810 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 123   and name N   )
       ( resid 123   and name HN  ) -13.670 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 124   and name N   )
       ( resid 124   and name HN  )  -8.740 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 125   and name N   )
       ( resid 125   and name HN  )   2.490 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 127   and name N   )
       ( resid 127   and name HN  )   0.310 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 128   and name N   )
       ( resid 128   and name HN  )   3.230 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 130   and name N   )
       ( resid 130   and name HN  )   4.700 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 133   and name N   )
       ( resid 133   and name HN  )   0.010 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 136   and name N   )
       ( resid 136   and name HN  )  -4.750 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 137   and name N   )
       ( resid 137   and name HN  )  -9.450 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 139   and name N   )
       ( resid 139   and name HN  ) -14.180 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 141   and name N   )
       ( resid 141   and name HN  ) -12.730 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 142   and name N   )
       ( resid 142   and name HN  ) -12.260 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 143   and name N   )
       ( resid 143   and name HN  )  -7.460 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 144   and name N   )
       ( resid 144   and name HN  )  -6.630 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 145   and name N   )
       ( resid 145   and name HN  )  18.120 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 146   and name N   )
       ( resid 146   and name HN  )  11.130 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 147   and name N   )
       ( resid 147   and name HN  )  20.450 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 148   and name N   )
       ( resid 148   and name HN  )  15.990 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 149   and name N   )
       ( resid 149   and name HN  )  17.240 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 150   and name N   )
       ( resid 150   and name HN  )  13.610 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 152   and name N   )
       ( resid 152   and name HN  )  14.260 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 153   and name N   )
       ( resid 153   and name HN  )  12.320 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 154   and name N   )
       ( resid 154   and name HN  )  20.070 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 156   and name N   )
       ( resid 156   and name HN  )   9.430 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 159   and name N   )
       ( resid 159   and name HN  )  11.700 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 160   and name N   )
       ( resid 160   and name HN  )   7.250 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 161   and name N   )
       ( resid 161   and name HN  )  17.270 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 163   and name N   )
       ( resid 163   and name HN  )   1.280 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  9   and name C   )
       ( resid 10   and name N   )   1.699 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name C   )
       ( resid 11   and name N   )  13.428 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name C   )
       ( resid 13   and name N   )  -2.574 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name C   )
       ( resid 14   and name N   )  11.879 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name C   )
       ( resid 16   and name N   )  -1.533 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name C   )
       ( resid 17   and name N   )  -1.524 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name C   )
       ( resid 18   and name N   )  25.615 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name C   )
       ( resid 21   and name N   )   4.082 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name C   )
       ( resid 22   and name N   )  17.685 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name C   )
       ( resid 23   and name N   ) -20.259 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23   and name C   )
       ( resid 24   and name N   )   0.591 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24   and name C   )
       ( resid 25   and name N   )  12.653 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26   and name C   )
       ( resid 27   and name N   )  -1.058 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name C   )
       ( resid 30   and name N   )  14.836 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 33   and name C   )
       ( resid 34   and name N   )  21.308 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 39   and name C   )
       ( resid 40   and name N   ) -10.063 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 42   and name C   )
       ( resid 43   and name N   )   6.023 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 53   and name C   )
       ( resid 54   and name N   )  -0.108 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 55   and name C   )
       ( resid 56   and name N   )   1.258 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 56   and name C   )
       ( resid 57   and name N   ) -13.186 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 57   and name C   )
       ( resid 58   and name N   )  14.161 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 59   and name C   )
       ( resid 60   and name N   ) -13.836 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 60   and name C   )
       ( resid 61   and name N   )   5.398 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 61   and name C   )
       ( resid 62   and name N   )  -2.582 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 63   and name C   )
       ( resid 64   and name N   )  13.878 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 64   and name C   )
       ( resid 65   and name N   )  -8.513 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 65   and name C   )
       ( resid 66   and name N   )  13.595 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 66   and name C   )
       ( resid 67   and name N   ) -14.661 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 69   and name C   )
       ( resid 70   and name N   )   3.748 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 71   and name C   )
       ( resid 72   and name N   )  -8.988 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 75   and name C   )
       ( resid 76   and name N   ) -17.776 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 76   and name C   )
       ( resid 77   and name N   )  20.025 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 77   and name C   )
       ( resid 78   and name N   )   2.449 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 111   and name C   )
       ( resid 112   and name N   )  16.252 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 113   and name C   )
       ( resid 114   and name N   )  21.791 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 114   and name C   )
       ( resid 115   and name N   )  -3.307 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 115   and name C   )
       ( resid 116   and name N   )  13.678 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 116   and name C   )
       ( resid 117   and name N   )  -9.438 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 117   and name C   )
       ( resid 118   and name N   )  18.401 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 118   and name C   )
       ( resid 119   and name N   )   0.816 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 120   and name C   )
       ( resid 121   and name N   )  12.695 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 121   and name C   )
       ( resid 122   and name N   )   8.322 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 122   and name C   )
       ( resid 123   and name N   )  12.862 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 123   and name C   )
       ( resid 124   and name N   ) -13.528 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 124   and name C   )
       ( resid 125   and name N   )  20.242 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 126   and name C   )
       ( resid 127   and name N   )  19.967 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 127   and name C   )
       ( resid 128   and name N   )  -6.181 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 129   and name C   )
       ( resid 130   and name N   )   4.298 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 133   and name C   )
       ( resid 134   and name N   )   9.021 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 134   and name C   )
       ( resid 135   and name N   )   2.649 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 135   and name C   )
       ( resid 136   and name N   )  -1.799 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 136   and name C   )
       ( resid 137   and name N   )  20.858 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 138   and name C   )
       ( resid 139   and name N   )   3.807 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 139   and name C   )
       ( resid 140   and name N   )   9.346 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 140   and name C   )
       ( resid 141   and name N   )  14.561 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 142   and name C   )
       ( resid 143   and name N   )  -2.599 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 143   and name C   )
       ( resid 144   and name N   )   5.606 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 144   and name C   )
       ( resid 145   and name N   ) -13.869 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 145   and name C   )
       ( resid 146   and name N   )   3.040 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 147   and name C   )
       ( resid 148   and name N   )   5.181 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 148   and name C   )
       ( resid 149   and name N   ) -17.093 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 149   and name C   )
       ( resid 150   and name N   )  -2.749 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 151   and name C   )
       ( resid 152   and name N   )  -8.863 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 152   and name C   )
       ( resid 153   and name N   )  -4.690 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 155   and name C   )
       ( resid 156   and name N   ) -18.193 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 158   and name C   )
       ( resid 159   and name N   )   6.997 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 159   and name C   )
       ( resid 160   and name N   )  -1.358 0.2000




assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  8   and name C   )
       ( resid  8   and name CA  )   7.661 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  9   and name C   )
       ( resid  9   and name CA  ) -17.036 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name C   )
       ( resid 10   and name CA  )  -7.286 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name C   )
       ( resid 12   and name CA  )  13.233 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name C   )
       ( resid 13   and name CA  ) -24.483 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 14   and name C   )
       ( resid 14   and name CA  ) -11.840 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name C   )
       ( resid 15   and name CA  )  19.286 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name C   )
       ( resid 17   and name CA  ) -18.001 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name C   )
       ( resid 18   and name CA  )   7.072 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19   and name C   )
       ( resid 19   and name CA  )  15.804 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name C   )
       ( resid 20   and name CA  ) -27.376 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name C   )
       ( resid 21   and name CA  )  -7.125 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name C   )
       ( resid 22   and name CA  )  13.018 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23   and name C   )
       ( resid 23   and name CA  )   8.679 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26   and name C   )
       ( resid 26   and name CA  )  19.554 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name C   )
       ( resid 27   and name CA  )  -6.804 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name C   )
       ( resid 28   and name CA  )   2.197 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name C   )
       ( resid 29   and name CA  )   5.143 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 30   and name C   )
       ( resid 30   and name CA  ) -22.715 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name C   )
       ( resid 31   and name CA  )  15.268 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50   and name C   )
       ( resid 50   and name CA  )  10.018 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 51   and name C   )
       ( resid 51   and name CA  )   3.268 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 52   and name C   )
       ( resid 52   and name CA  )  -1.339 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 53   and name C   )
       ( resid 53   and name CA  )   1.446 0.2000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 58   and name C   )
       ( resid 58   and name CA  ) -13.822 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 59   and name C   )
       ( resid 59   and name CA  )  -9.161 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 60   and name C   )
       ( resid 60   and name CA  )   3.322 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 61   and name C   )
       ( resid 61   and name CA  )   0.750 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 64   and name C   )
       ( resid 64   and name CA  )  -8.679 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 65   and name C   )
       ( resid 65   and name CA  )   9.268 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 69   and name C   )
       ( resid 69   and name CA  )  12.215 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 73   and name C   )
       ( resid 73   and name CA  ) -17.572 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 76   and name C   )
       ( resid 76   and name CA  )  14.465 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 77   and name C   )
       ( resid 77   and name CA  ) -25.126 0.2000




assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 110   and name C   )
       ( resid 110   and name CA  )   7.340 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 111   and name C   )
       ( resid 111   and name CA  ) -22.983 0.2000
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 113   and name C   )
       ( resid 113   and name CA  )  -0.161 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 114   and name C   )
       ( resid 114   and name CA  ) -26.572 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 115   and name C   )
       ( resid 115   and name CA  )  18.858 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 116   and name C   )
       ( resid 116   and name CA  )   1.714 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 119   and name C   )
       ( resid 119   and name CA  )   6.750 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 120   and name C   )
       ( resid 120   and name CA  )   6.857 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 121   and name C   )
       ( resid 121   and name CA  ) -27.376 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 122   and name C   )
       ( resid 122   and name CA  )  17.251 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 123   and name C   )
       ( resid 123   and name CA  )   3.750 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 126   and name C   )
       ( resid 126   and name CA  )   3.643 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 127   and name C   )
       ( resid 127   and name CA  ) -10.661 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 129   and name C   )
       ( resid 129   and name CA  )  -6.375 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 133   and name C   )
       ( resid 133   and name CA  ) -14.947 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 134   and name C   )
       ( resid 134   and name CA  )  10.661 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 136   and name C   )
       ( resid 136   and name CA  ) -20.733 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 140   and name C   )
       ( resid 140   and name CA  ) -19.983 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 143   and name C   )
       ( resid 143   and name CA  ) -24.483 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 145   and name C   )
       ( resid 145   and name CA  )  17.143 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 148   and name C   )
       ( resid 148   and name CA  )  -8.304 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 149   and name C   )
       ( resid 149   and name CA  )  18.751 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 151   and name C   )
       ( resid 151   and name CA  )  -0.375 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 155   and name C   )
       ( resid 155   and name CA  )  -3.964 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 158   and name C   )
       ( resid 158   and name CA  )   3.750 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 159   and name C   )
       ( resid 159   and name CA  )  12.054 0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 160   and name C   )
       ( resid 160   and name CA  )   1.982 0.2000






2. NOE-DERIVED INTERPROTON DISTANCE RESTRAINTS.

A. SOX2/POUHD INTERFACE

assign (resid 269 and name   HE# ) (resid  22 and name  HA )  3.0  1.2  0.8 
assign (resid 269 and name   HE# ) (resid  25 and name  HD# )  2.5 0.7 1.2 
assign (resid 269 and name   HE# ) (resid  25 and name  HG2# )  2.5 0.7 1.2 
assign (resid 269 and name   HE# ) (resid  25 and name  HA ) 4.0  2.2  2.0
assign (resid 269 and name   HE# ) ((resid  25 and name  HB) or (resid  21 and name HB#)) 3.0  1.2  0.8
assign (resid 269 and name   HE# ) (resid  25 and name  HG1# ) 4.0  2.2  1.5
assign (resid 269 and name   HE# ) (resid  21 and name  HA ) 4.0 2.2 2.0 
assign (resid 269 and name   HE# ) (resid  21 and name  HE# ) 4.0  2.2  1.5
assign (resid 269 and name   HG# ) (resid  25 and name  HD# )  4.0  2.2  1.5 
assign (resid 269 and name   HG# ) (resid  25 and name  HG2# )  4.0  2.2  1.5 
assign (resid 269 and name   HG# ) (resid  22 and name  HA )  4.0  2.2  2.0 


!
! ALA 266
assign (resid 266 and name   HB# ) (resid  25 and name  HD# )  4.0  2.2  1.5
assign (resid 266 and name   HB# ) (resid  25 and name  HG2# )  3.0  1.2  0.8
assign (resid 266 and name   HB# ) (resid  26 and name  HA )  4.0  2.2  1.5
!
! LYS 276
!
assign ((resid 276 or resid 270) and name   HE# ) (resid  56 and name HA ) 4.0  2.2  1.0
assign ((resid 276 or resid 270 or resid 262 ) and name   HE# )
                   ((resid  56 and name HB#) or (resid 30 and name HG2# )) 3.0  1.2  0.5



B. SOX2/DNA INTERFACE

!
! LYS 209
assign (resid 209 and name  HB#) (resid  332 and name  H3' ) 4.0  1.2  1.0 
!
! MET 212
assign (resid 212 and name  HE#) (resid  333 and name  H4' ) 4.0  2.2  1.0
assign (resid 212 and name  HE#) (resid  333 and (name  H5' or name H5'')) 4.0  2.2  1.0
assign (resid 212 and name  HE#) (resid  333 and name  H3' ) 4.0  2.2  2.0
assign (resid 212 and name  HE#) (resid  333 and name  H1' ) 4.0  2.2  2.5
assign (resid 212 and name  HA ) (resid  332 and name  H1' ) 4.0  2.2  1.0 
!
!ASN 213
assign (resid 213 and name  HB#) (resid  308 and name H4' ) 4.0  2.2  1.0 
assign (resid 213 and name  HB#) (resid  309 and name H4' ) 4.0  2.2  1.5 
!
!ALA 214
assign (resid 214 and name  HB#) (resid  308 and name H4'  ) 4.0  2.2  2.5 
assign (resid 214 and name  HB#) (resid  308 and (name H5' or name H5'')) 4.0  2.2  1.0 
!
!MET 216
assign (resid 216 and name  HE#) (resid  333 and name  H2  ) 3.0  1.2  1.0
assign (resid 216 and name  HE#) (resid  332 and name  H2  ) 3.0  1.2  1.0
assign (resid 216 and name  HE#) (resid  333 and name  H1' ) 3.0  1.2  1.0
assign (resid 216 and name  HE#) (resid  332 and name  H1' ) 4.0  2.2  1.0
assign (resid 216 and name  HE#) (resid  332 and name  H2' ) 3.0  1.2  0.5
assign (resid 216 and name  HE#) (resid  332 and name  H2'') 4.0  2.2  1.0 
assign (resid 216 and name  HE#) (resid  333 and name  H4' ) 4.0  2.2  1.0
assign (resid 216 and name  HE#) (resid  333 and (name  H5' or name H5'')) 4.0  2.2  2.5
assign (resid 216 and name  HE#) (resid  333 and name  H8  ) 4.0  2.2  2.0
assign (resid 216 and name  HE#) (resid  332 and name  H8  ) 4.0  2.2  2.0
assign (resid 216 and name  HA ) (resid  332 and name  H2  ) 4.0  2.2  1.5 
assign (resid 216 and name  HB#) (resid  332 and name  H2  ) 4.0  2.2  1.0 
assign (resid 216 and name he#) (resid 307 and name h3) 4.0 2.2 1.5
assign (resid 216 and name he#) (resid 306 and name h3) 3.0 1.2 1.5

!
!ARG 220
assign (resid 220 and name  HD#) (resid  333 and name H4'  ) 4.0  2.2  1.0 
assign (resid 220 and name  HD#) (resid  333 and name H3'  ) 4.0  2.2  1.5 
assign (resid 220 and name  HD#) (resid  333 and name H1'  ) 4.0  2.2  2.0
assign (resid 220 and name  HB#) ((resid  333 or resid  334) and name H1'  ) 4.0  2.2  3.5
assign (resid 220 and name  HB#) ((resid  333 or resid  334) and name H3'  ) 4.0  2.2  3.5
assign (resid 220 and name  HB#) (resid  334 and name H4'  ) 4.0  2.2  2.0
assign (resid 220 and name  HA ) ((resid  333 or resid 334) and name H1'  ) 4.0  2.2  1.5 
assign (resid 220 and name  HG#) (resid  333 and name H4'  ) 4.0  2.2  1.0
assign (resid 220 and name  HG#) (resid  333 and name H3'  ) 4.0  2.2  2.0
!
!ARG 223 
!ARG 224
!
!ILE 238
assign (resid 238 and name HG2#) (resid  334 and name H1'  ) 4.0  2.2  3.5
assign (resid 238 and name HD1#) (resid  334 and name H2   ) 4.0  2.2  3.5 
!
!LYS 240
assign (resid 240 and name HA  ) (resid  306 and name H4'  ) 2.5  0.7  0.2
assign (resid 240 and name HB# ) (resid  306 and name H4'  ) 4.0  2.2  1.0
!
!TRP 246
assign (resid 246 and name HD1 ) (resid  307 and (name H5' or name H5'')) 4.0  2.2  1.0
assign (resid 246 and name HD1 ) (resid  307 and name H4') 4.0  2.2  1.0 
assign (resid 246 and name HZ2 ) (resid  308 and (name H4' or name H5' or name H5'')) 4.0  2.2  1.0
!
!LYS 247
assign (resid 247 and name HA  ) (resid  307 and name H4') 4.0  2.2  2.0 
!
!TYR 277
assign (resid 277 and name HE* ) (resid  330 and name H2 ) 4.0  2.2  1.0
assign (resid 277 and name HD* ) (resid  330 and name H2 ) 4.0  2.2  1.5 
!
!PRO 279
assign (resid 279 and name HB# ) (resid  330 and name H4' ) 4.0  2.2  1.0 
assign (resid 279 and name HB# ) (resid  330 and name H1' ) 4.0  2.2  1.0 
!
!ARG 281 
assign (resid 281 and name HA  ) (resid  330 and name H3' ) 4.0  2.2  2.0




!R265
assign (resid 265 and name nh*) ((resid 309 or resid 310) and name o*p) 6.0 4.0 0.1


C. POUHD/DNA INTERFACE

assign (resid 150 and name hg*) (resid 317 and name h8) 3.0 1.2 0.8
assign (resid 150 and name hg*) ((resid 316 or resid 317) and name h2') 4.0 2.2 1.5
assign (resid 150 and name hg*) ((resid 316 or resid 317) and name h2'') 4.0 2.2 1.5



3. EXPERIMENTAL TORSION ANGLE RESTRAINTS

A. SOX2/POUS INTERFACE
!D274
assign (resid 274 and name n) (resid 274 and name ca)
       (resid 274 and name cb) (resid 274 and name cg) 1.0 -60.0 20.0 2

!Met269
assign (resid 269 and name n) (resid 269 and name ca)
       (resid 269 and name cb) (resid 269 and name cg) 1.0 180.0 20.0 2
assign (resid 269 and name ca) (resid 269 and name cb)
       (resid 269 and name cg) (resid 269 and name sd) 1.0 120.0 80.0 2
assign (resid 269 and name cb) (resid 269 and name cg)
       (resid 269 and name sd) (resid 269 and name ce) 1.0 0.0 80.0 2 

!K262
assign (resid 262 and name n) (resid 262 and name ca)
        (resid 262 and name cb) (resid 262 and name cg) 1.0 -60.0 20.0 2
assign (resid 262 and name ca) (resid 262 and name cb)
       (resid 262 and name cg) (resid 262 and name cd) 1.0 -120.0 80.0 2


!K276
assign (resid 276 and name n) (resid 276 and name ca)
        (resid 276 and name cb) (resid 276 and name cg) 1.0 -60.0 20.0 2
assign (resid 276 and name ca) (resid 276 and name cb)
       (resid 276 and name cg) (resid 276 and name cd) 1.0 -120.0 80.0 2


!R265
assign (resid 265 and name n) (resid 265 and name ca)
        (resid 265 and name cb) (resid 265 and name cg) 1.0 -60.0 20.0 2
assign (resid 265 and name ca) (resid 265 and name cb)
       (resid 265 and name cg) (resid 265 and name cd) 1.0 180.0 20.0 2


!K270
assign (resid 270 and name n) (resid 270 and name ca)
        (resid 270 and name cb) (resid 270 and name cg) 1.0 -120.0 80.0 2



!I25
assign (resid 25 and name n) (resid 25 and name ca)
       (resid 25 and name cb) (resid 25 and name cg1) 1.0 -60.0 20.0 2
assign (resid 25 and name ca) (resid 25 and name cb)
       (resid 25 and name cg1) (resid 25 and name cd1) 1.0 180.0 20.0 2


!Q22
assign (resid 22 and name n) (resid 22 and name ca)
       (resid 22 and name cb) (resid 22 and name cg) 1.0 -120.0 80.0 2


!K21
assign (resid 21 and name n) (resid 21 and name ca)
       (resid 21 and name cb) (resid 21 and name cg) 1.0 180.0 20.0 2


!K18
assign (resid 18 and name n) (resid 18 and name ca)
       (resid 18 and name cb) (resid 18 and name cg) 1.0 -120.0 80.0 2
assign (resid 18 and name ca) (resid 18 and name cb)
       (resid 18 and name cg) (resid 18 and name cd) 1.0 0.0 80.0 2


!T30
assign (resid 30 and name n) (resid 30 and name ca)
       (resid 30 and name cb) (resid 30 and name og1) 1.0 60.0 20.0 2



B. SOX2/DNA INTERFACE
!M216 (=I13 SRY)
assign (resid 216 and name n) (resid 216 and name ca)
        (resid 216 and name cb) (resid 216 and name cg) 1.0 -60.0 20.0 2
assign (resid 216 and name ca) (resid 216 and name cb)
       (resid 216 and name cg) (resid 216 and name sd) 1.0 -60.0 20.0 2
assign (resid 216 and name cb) (resid 216 and name cg)
       (resid 216 and name sd) (resid 216 and name ce) 1.0 -60.0 20.0 2   







4. DISTANCE RESTRAINTS AT POUS/DNA AND POUHD/DNA INTERFACE TO PRESERVE
ELECTROSTATIC INTERACTIONS WITH PHOSPHATES AND BASES SEEN IN BINARY
OCT1/DNA COMPLEXES

A. POUS
assign (resid 48 and name oe1) (resid 311 and name n6) 3.5 0.5 0.4
assign (resid 48 and name ne2) (resid 311 and name n7) 3.5 0.5 0.4

assign (resid 31 and name ne2) (resid 311 and name o*p) 5.0 3.0 0.1
assign (resid 52 and name og) (resid 311 and name o*P) 5.0 3.0 0.1

assign (resid 58 and name nd2) (resid 312 and name o*p) 5.0 3.0 0.1

assign (resid 24 and name nh*) (resid 310 and name o*p) 4.0 3.0 0.1

assign (resid 30 and name og1) (resid 309 and name o*p) 5.0 3.0 0.5

assign (resid 21 and name nz) (resid 311 and name o*P) 6.0 4.0 0.5



assign (resid 62 and name nz) (resid 322:323 and name o*p) 6.0 3.0 0.1

assign (resid 63 and name nd2) (resid 324 and name o*p) 5.0 3.0 0.1

assign (resid 50 and name og1) (resid 325 and name o*P) 3.5 0.5 0.1

assign (resid 53 and name nh2) (resid 325 and name n7) 3.5 0.5 0.3
assign (resid 53 and name nh1) (resid 325 and name o6) 3.5 0.5 0.3

assign (resid 49 and name og1) (resid 326 and name n4) 3.5 0.5 0.3

assign (resid 66 and name nz) (resid 324 and name o*p) 6.0 3.0 0.1


B. POUHD
assign (resid 154 and name nd2) (resid 317 and name n7) 3.0 0.5 0.5
assign (resid 154 and name od1) (resid 317 and name n6) 3.0 0.5 0.5
assign (resid 157 and name oe1) (resid 321 and name n6) 3.0 0.5 0.8

assign (resid 116 and name nh*) ((resid 315:316) and name o*p) 6.0 4.0 0.1
assign (resid 158 and name nz) ((resid 315:316) and name o*p) 6.0 4.0 0.1



5. TORSION ANGLE RESTRAINTS FOR PROTEIN/DNA INTERFACIAL SIDECHAINS
RESTRAINED TO WITHIN A RANGE OF +/-20 DEGREES OF THAT SEEN IN RESPECTIVE
BINARY OCT1/DNA AND SRY/DNA COMPLEXES

A. POUS

!Q48
assign (resid 48 and name n) (resid 48 and name ca)
       (resid 48 and name cb) (resid 48 and name cg) 1.0 180.0 20.0 2
assign (resid 48 and name ca) (resid 48 and name cb)
       (resid 48 and name cg) (resid 48 and name cd) 1.0 -60.0 40.0 2
assign (resid 48 and name cb) (resid 48 and name cg)
       (resid 48 and name cd) (resid 48 and name oe1) 1.0 -20.0 30.0 2


!R24
assign (resid 24 and name n) (resid 24 and name ca)
       (resid 24 and name cb) (resid 24 and name cg) 1.0 180.0 20.0 2
assign (resid 24 and name ca) (resid 24 and name cb)
       (resid 24 and name cg) (resid 24 and name cd) 1.0 180.0 40.0 2


!S52
assign (resid 52 and name n) (resid 52 and name ca)
       (resid 52 and name cb) (resid 52 and name og) 1.0 -120.0 80.0 2

!Q31
assign (resid 31 and name n) (resid 31 and name ca)
       (resid 31 and name cb) (resid 31 and name cg) 1.0 180.0 25.0 2
assign (resid 31 and name ca) (resid 31 and name cb)
       (resid 31 and name cg) (resid 31 and name cd) 1.0 180.0 30.0 2
assign (resid 31 and name cb) (resid 31 and name cg)
       (resid 31 and name cd) (resid 31 and name oe1) 1.0 -20.0 30.0 2


!T49
assign (resid 49 and name n) (resid 49 and name ca)
       (resid 49 and name cb) (resid 49 and name og1) 1.0 -60.0 20.0 2


!N58
assign (resid 58 and name n) (resid 58 and name ca)
       (resid 58 and name cb) (resid 58 and name cg) 1.0 -60.0 20.0 2
assign (resid 58 and name ca) (resid 58 and name cb)
       (resid 58 and name cg) (resid 58 and name od1) 1.0 -20.0 30.0 2


!D45
assign (resid 45 and name n) (resid 45 and name ca)
       (resid 45 and name cb) (resid 45 and name cg) 1.0 60.0 20.0 2
assign (resid 45 and name ca) (resid 45 and name cb)
       (resid 45 and name cg) (resid 45 and name od1) 1.0 -40.0 30.0 2


!F46
assign (resid 46 and name n) (resid 46 and name ca)
       (resid 46 and name cb) (resid 46 and name cg) 1.0 -70.0 20.0 2
assign (resid 46 and name ca) (resid 46 and name cb)
       (resid 46 and name cg) (resid 46 and name cd1) 1.0 -90.0 30.0 2

!S47
assign (resid 47 and name n) (resid 47 and name ca)
       (resid 47 and name cb) (resid 47 and name og) 1.0 60.0 20.0 2

!T49
assign (resid 49 and name n) (resid 49 and name ca)
       (resid 49 and name cb) (resid 49 and name og1) 1.0 -60.0 20.0 2

!T50
assign (resid 50 and name n) (resid 50 and name ca)
       (resid 50 and name cb) (resid 50 and name og1) 1.0 -60.0 20.0 2

!R53
assign (resid 53 and name n) (resid 53 and name ca)
       (resid 53 and name cb) (resid 53 and name cg) 1.0 -60.0 30.0 2
assign (resid 53 and name ca) (resid 53 and name cb)
       (resid 53 and name cg) (resid 53 and name cd) 1.0 180.0 20.0 2
assign (resid 53 and name cb) (resid 53 and name cg)
       (resid 53 and name cd) (resid 53 and name ne) 1.0 180.0 20.0 2
assign (resid 53 and name cg) (resid 53 and name cd)
       (resid 53 and name ne) (resid 53 and name cz) 1.0 180.0 30.0 2


!K62
assign (resid 62 and name n) (resid 62 and name ca)
       (resid 62 and name cb) (resid 62 and name cg) 1.0 180.0 20.0 2
assign (resid 62 and name ca) (resid 62 and name cb)
       (resid 62 and name cg) (resid 62 and name cd) 1.0 180.0 35.0 2
assign (resid 62 and name cb) (resid 62 and name cg)
       (resid 62 and name cd) (resid 62 and name ce) 1.0 60.0 25.0 2
assign (resid 62 and name cg) (resid 62 and name cd)
       (resid 62 and name ce) (resid 62 and name nz) 1.0 180.0 30.0 2

!N63
assign (resid 63 and name n) (resid 63 and name ca)
       (resid 63 and name cb) (resid 63 and name cg) 1.0 180.0 20.0 2
assign (resid 63 and name ca) (resid 63 and name cb)
       (resid 63 and name cg) (resid 63 and name od1) 1.0 0.0 50.0 2




!K66
assign (resid 66 and name n) (resid 66 and name ca)
       (resid 66 and name cb) (resid 66 and name cg) 1.0 180.0 20.0 2
assign (resid 66 and name ca) (resid 66 and name cb)
       (resid 66 and name cg) (resid 66 and name cd) 1.0 180.0 30.0 2
assign (resid 66 and name cb) (resid 66 and name cg)
       (resid 66 and name cd) (resid 66 and name ce) 1.0 180.0 30.0 2
assign (resid 66 and name cg) (resid 66 and name cd)
       (resid 66 and name ce) (resid 66 and name nz) 1.0 180.0 30.0 2


!L67
assign (resid 67 and name n) (resid 67 and name ca)
       (resid 67 and name cb) (resid 67 and name cg) 1.0 -60.0 20.0 2
assign (resid 67 and name ca) (resid 67 and name cb)
       (resid 67 and name cg) (resid 67 and name cd1) 1.0 180.0 20.0 2


B. POUHD

!S110
assign (resid 110 and name n) (resid 110 and name ca)
       (resid 110 and name cb) (resid 110 and name og) 1.0 180.0 20.0 2


!I111

assign (resid 111 and name n) (resid 111 and name ca)
       (resid 111 and name cb) (resid 111 and name cg1) 1.0 -60.0 20.0 2
assign (resid 111 and name ca) (resid 111 and name cb)
       (resid 111 and name cg1) (resid 111 and name cd1) 1.0 180.0 20.0 2


!R116
assign (resid 116 and name n) (resid 116 and name ca)
       (resid 116 and name cb) (resid 116 and name cg) 1.0 -60.0 20.0 2
assign (resid 116 and name ca) (resid 116 and name cb)
       (resid 116 and name cg) (resid 116 and name cd) 1.0 180.0 20.0 2
assign (resid 116 and name cb) (resid 116 and name cg)
       (resid 116 and name cd) (resid 116 and name ne) 1.0 180.0 20.0 2
assign (resid 116 and name cg) (resid 116 and name cd)
       (resid 116 and name ne) (resid 116 and name cz) 1.0 180.0 40.0 2

!V147
assign (resid 147 and name n) (resid 147 and name ca)
       (resid 147 and name cb) (resid 147 and name cg1) 1.0 180.0 20.0 2

!V150
assign (resid 150 and name n) (resid 150 and name ca)
       (resid 150 and name cb) (resid 150 and name cg1) 1.0 180.0 20.0 2

!W151
assign (resid 151 and name n) (resid 151 and name ca)
       (resid 151 and name cb) (resid 151 and name cg) 1.0 180.0 20.0 2
assign (resid 151 and name ca) (resid 151 and name cb)
       (resid 151 and name cg) (resid 151 and name cd1) 1.0 -90.0 20.0 2

!N154
assign (resid 154 and name n) (resid 154 and name ca)
       (resid 154 and name cb) (resid 154 and name cg) 1.0 -60.0 35.0 2
assign (resid 154 and name ca) (resid 154 and name cb)
       (resid 154 and name cg) (resid 154 and name od1) 1.0 -20.0 30.0 2

!Q157
assign (resid 157 and name n) (resid 157 and name ca)
       (resid 157 and name cb) (resid 157 and name cg) 1.0 -60.0 20.0 2
assign (resid 157 and name ca) (resid 157 and name cb)
       (resid 157 and name cg) (resid 157 and name cd) 1.0 180.0 20.0 2
assign (resid 157 and name cb) (resid 157 and name cg)
       (resid 157 and name cd) (resid 157 and name oe1) 1.0 50.0 30.0 2

!K158
assign (resid 158 and name n) (resid 158 and name ca)
       (resid 158 and name cb) (resid 158 and name cg) 1.0 180.0 20.0 2
assign (resid 158 and name ca) (resid 158 and name cb)
       (resid 158 and name cg) (resid 158 and name cd) 1.0 180.0 20.0 2
assign (resid 158 and name cb) (resid 158 and name cg)
       (resid 158 and name cd) (resid 158 and name ce) 1.0 -60.0 20.0 2
assign (resid 158 and name cg) (resid 158 and name cd)
       (resid 158 and name ce) (resid 158 and name nz) 1.0 180.0 20.0 2


!R161
assign (resid 161 and name n) (resid 161 and name ca)
       (resid 161 and name cb) (resid 161 and name cg) 1.0 -60.0 20.0 2
assign (resid 161 and name ca) (resid 161 and name cb)
       (resid 161 and name cg) (resid 161 and name cd) 1.0 180.0 20.0 2
assign (resid 161 and name cb) (resid 161 and name cg)
       (resid 161 and name cd) (resid 161 and name ne) 1.0 180.0 20.0 2
assign (resid 161 and name cg) (resid 161 and name cd)
       (resid 161 and name ne) (resid 161 and name cz) 1.0 180.0 40.0 2


C. SOX2

!Residues interacting with DNA at or below intercalation site:
!leave conserved residues in same conformation as in SRY-DNA complex

!R207 (=SRY R4)
assign (resid 207 and name n) (resid 207 and name ca)
        (resid 207 and name cb) (resid 207 and name cg) 1.0 180.0 20.0 2
assign (resid 207 and name ca) (resid 207 and name cb)
       (resid 207 and name cg) (resid 207 and name cd) 1.0 180.0 20.0 2
assign (resid 207 and name cb) (resid 207 and name cg)
       (resid 207 and name cd) (resid 207 and name ne) 1.0 180.0 25.0 2

!K209 (=K6 SRY)
assign (resid 209 and name n) (resid 209 and name ca)
        (resid 209 and name cb) (resid 209 and name cg) 1.0 -60.0 20.0 2
assign (resid 209 and name ca) (resid 209 and name cb)
       (resid 209 and name cg) (resid 209 and name cd) 1.0 180.0 20.0 2
assign (resid 209 and name cb) (resid 209 and name cg)
       (resid 209 and name cd) (resid 209 and name ce) 1.0 180.0 20.0 2

!R210 (=R7 SRY)
assign (resid 210 and name n) (resid 210 and name ca)
        (resid 210 and name cb) (resid 210 and name cg) 1.0 -60.0 20.0 2
assign (resid 210 and name ca) (resid 210 and name cb)
       (resid 210 and name cg) (resid 210 and name cd) 1.0 180.0 20.0 2
assign (resid 210 and name cb) (resid 210 and name cg)
       (resid 210 and name cd) (resid 210 and name ne) 1.0 60.0 25.0 2

!M212 (=M9 SRY)
assign (resid 212 and name n) (resid 212 and name ca)
        (resid 212 and name cb) (resid 212 and name cg) 1.0 -60.0 20.0 2
assign (resid 212 and name ca) (resid 212 and name cb)
       (resid 212 and name cg) (resid 212 and name sd) 1.0 180.0 20.0 2
assign (resid 212 and name cb) (resid 212 and name cg)
       (resid 212 and name sd) (resid 212 and name ce) 1.0 -60.0 30.0 2

!N213 (=N10 SRY)
assign (resid 213 and name n) (resid 213 and name ca)
        (resid 213 and name cb) (resid 213 and name cg) 1.0 60.0 20.0 2
assign (resid 213 and name ca) (resid 213 and name cb)
       (resid 213 and name cg) (resid 213 and name od1) 1.0 20.0 30.0 2

!F215 (=F12 SRY)
assign (resid 215 and name n) (resid 215 and name ca)
        (resid 215 and name cb) (resid 215 and name cg) 1.0 180.0 20.0 2
assign (resid 215 and name ca) (resid 215 and name cb)
       (resid 215 and name cg) (resid 215 and name cd1) 1.0 90.0 30.0 2


!R220 (=R17 SRY)
assign (resid 220 and name n) (resid 220 and name ca)
        (resid 220 and name cb) (resid 220 and name cg) 1.0 -120.0 80.0 2
assign (resid 220 and name ca) (resid 220 and name cb)
       (resid 220 and name cg) (resid 220 and name cd) 1.0 180.0 20.0 2
assign (resid 220 and name cb) (resid 220 and name cg)
       (resid 220 and name cd) (resid 220 and name ne) 1.0 120.0 80.0 2


!W246 (=W43 SRY)
assign (resid 246 and name n) (resid 246 and name ca)
        (resid 246 and name cb) (resid 246 and name cg) 1.0 180.0 20.0 2
assign (resid 246 and name ca) (resid 246 and name cb)
       (resid 246 and name cg) (resid 246 and name cd1) 1.0 -90.0 20.0 2



!!K247 (=K44 SRY)
assign (resid 247 and name n) (resid 247 and name ca)
        (resid 247 and name cb) (resid 247 and name cg) 1.0 -60.0 20.0 2
assign (resid 247 and name ca) (resid 247 and name cb)
       (resid 247 and name cg) (resid 247 and name cd) 1.0 180.0 20.0 2
assign (resid 247 and name cb) (resid 247 and name cg)
       (resid 247 and name cd) (resid 247 and name ce) 1.0 180.0 20.0 2


!K254 (=K51 SRY)
assign (resid 254 and name n) (resid 254 and name ca)
        (resid 254 and name cb) (resid 254 and name cg) 1.0 -60.0 20.0 2
assign (resid 254 and name ca) (resid 254 and name cb)
       (resid 254 and name cg) (resid 254 and name cd) 1.0 180.0 20.0 2
assign (resid 254 and name cb) (resid 254 and name cg)
       (resid 254 and name cd) (resid 254 and name ce) 1.0 120.0 80.0 2


!I258 (=F55 SRY)
assign (resid 258 and name n) (resid 258 and name ca)
        (resid 258 and name cb) (resid 258 and name cg1) 1.0 -60.0 20.0 2
assign (resid 258 and name ca) (resid 258 and name cb)
       (resid 258 and name cg1) (resid 258 and name cd1) 1.0 180.0 20.0 2


!Y277 (=Y74 SRY)
assign (resid 277 and name n) (resid 277 and name ca)
        (resid 277 and name cb) (resid 277 and name cg) 1.0 180.0 20.0 2
assign (resid 277 and name ca) (resid 277 and name cb)
       (resid 277 and name cg) (resid 277 and name cd1) 1.0 60.0 20.0 2

!R281 (= R78 SRY)
assign (resid 281 and name n) (resid 281 and name ca)
        (resid 281 and name cb) (resid 281 and name cg) 1.0 -120.0 80.0 2

!K282 (= K79 SRY)
assign (resid 282 and name n) (resid 282 and name ca)
        (resid 282 and name cb) (resid 282 and name cg) 1.0 -120.0 80.0 2



!Below intercalation site

!R223 (=R20 SRY)
assign (resid 223 and name n) (resid 223 and name ca)
        (resid 223 and name cb) (resid 223 and name cg) 1.0 180.0 20.0 2

!R224 (=R21 SRY)
assign (resid 224 and name n) (resid 224 and name ca)
        (resid 224 and name cb) (resid 224 and name cg) 1.0 180.0 20.0 2
assign (resid 224 and name ca) (resid 224 and name cb)
       (resid 224 and name cg) (resid 224 and name cd) 1.0 60.0 20.0 2


!H234 (=R231 SRY)
assign (resid 234 and name n) (resid 234 and name ca)
        (resid 234 and name cb) (resid 234 and name cg) 1.0 -60.0 20.0 2
assign (resid 234 and name ca) (resid 234 and name cb)
       (resid 234 and name cg) (resid 234 and name nd1) 1.0 -60.0 30.0 2


!N235 (=N32 SRY)
assign (resid 235 and name n) (resid 235 and name ca)
        (resid 235 and name cb) (resid 235 and name cg) 1.0 -70.0 20.0 2
assign (resid 235 and name ca) (resid 235 and name cb)
       (resid 235 and name cg) (resid 235 and name od1) 1.0 20.0 30.0 2



!S236 (=S33 SRY)
assign (resid 236 and name n) (resid 236 and name ca)
        (resid 236 and name cb) (resid 236 and name og) 1.0 -60.0 20.0 2


!I238 (=I35 SRY)
assign (resid 238 and name n) (resid 238 and name ca)
        (resid 238 and name cb) (resid 238 and name cg1) 1.0 -60.0 20.0 2
assign (resid 238 and name ca) (resid 238 and name cb)
       (resid 238 and name cg1) (resid 238 and name cd1) 1.0 180.0 20.0 2


!S239 (=S36 SRY)
assign (resid 239 and name n) (resid 239 and name ca)
        (resid 239 and name cb) (resid 239 and name og) 1.0 -60.0 20.0 2



!K240 (=K37 SRY)
assign (resid 240 and name n) (resid 240 and name ca)
        (resid 240 and name cb) (resid 240 and name cg) 1.0 -60.0 20.0 2
assign (resid 240 and name ca) (resid 240 and name cb)
       (resid 240 and name cg) (resid 240 and name cd) 1.0 180.0 40.0 2
assign (resid 240 and name cb) (resid 240 and name cg)
       (resid 240 and name cd) (resid 240 and name ce) 1.0 180.0 40.0 2




6. TORSION ANGLE RESTRAINTS FOR SUGAR-PHOSPHATE BACKBONE
(USED TO PREVENT MIRROR IMAGES)

!301 302
!epsilon
assign (residue 301 and name c4') (residue 301 and name c3')
       (residue 301 and name o3') (residue 302 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 301 and name c3') (residue 301 and name o3')
       (residue 302 and name p) (residue 302 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 301 and name o3') (residue 302 and name p)
       (residue 302 and name o5') (residue 302 and name c5') 1.0 -70.0 30.0 2

!302 303
!epsilon
assign (residue 302 and name c4') (residue 302 and name c3')
       (residue 302 and name o3') (residue 303 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 302 and name c3') (residue 302 and name o3')
       (residue 303 and name p) (residue 303 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 302 and name o3') (residue 303 and name p)
       (residue 303 and name o5') (residue 303 and name c5') 1.0 -70.0 30.0 2

!303 304
!epsilon
assign (residue 303 and name c4') (residue 303 and name c3')
       (residue 303 and name o3') (residue 304 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 303 and name c3') (residue 303 and name o3')
       (residue 304 and name p) (residue 304 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 303 and name o3') (residue 304 and name p)
       (residue 304 and name o5') (residue 304 and name c5') 1.0 -70.0 30.0 2

!304 305
!epsilon
assign (residue 304 and name c4') (residue 304 and name c3')
       (residue 304 and name o3') (residue 305 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 304 and name c3') (residue 304 and name o3')
       (residue 305 and name p) (residue 305 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 304 and name o3') (residue 305 and name p)
       (residue 305 and name o5') (residue 305 and name c5') 1.0 -70.0 30.0 2

!305 306
!epsilon
assign (residue 305 and name c4') (residue 305 and name c3')
       (residue 305 and name o3') (residue 306 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 305 and name c3') (residue 305 and name o3')
       (residue 306 and name p) (residue 306 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 305 and name o3') (residue 306 and name p)
       (residue 306 and name o5') (residue 306 and name c5') 1.0 -70.0 30.0 2

!306 307
!epsilon
assign (residue 306 and name c4') (residue 306 and name c3')
       (residue 306 and name o3') (residue 307 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 306 and name c3') (residue 306 and name o3')
       (residue 307 and name p) (residue 307 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 306 and name o3') (residue 307 and name p)
       (residue 307 and name o5') (residue 307 and name c5') 1.0 -70.0 30.0 2

!307 308
!epsilon
assign (residue 307 and name c4') (residue 307 and name c3')
       (residue 307 and name o3') (residue 308 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 307 and name c3') (residue 307 and name o3')
       (residue 308 and name p) (residue 308 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 307 and name o3') (residue 308 and name p)
       (residue 308 and name o5') (residue 308 and name c5') 1.0 -70.0 30.0 2

!308 309
!epsilon
assign (residue 308 and name c4') (residue 308 and name c3')
       (residue 308 and name o3') (residue 309 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 308 and name c3') (residue 308 and name o3')
       (residue 309 and name p) (residue 309 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 308 and name o3') (residue 309 and name p)
       (residue 309 and name o5') (residue 309 and name c5') 1.0 -70.0 30.0 2

!309 310
!epsilon
assign (residue 309 and name c4') (residue 309 and name c3')
       (residue 309 and name o3') (residue 310 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 309 and name c3') (residue 309 and name o3')
       (residue 310 and name p) (residue 310 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 309 and name o3') (residue 310 and name p)
       (residue 310 and name o5') (residue 310 and name c5') 1.0 -70.0 30.0 2

!310 311
!epsilon
assign (residue 310 and name c4') (residue 310 and name c3')
       (residue 310 and name o3') (residue 311 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 310 and name c3') (residue 310 and name o3')
       (residue 311 and name p) (residue 311 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 310 and name o3') (residue 311 and name p)
       (residue 311 and name o5') (residue 311 and name c5') 1.0 -70.0 30.0 2

!311 312
!epsilon
assign (residue 311 and name c4') (residue 311 and name c3')
       (residue 311 and name o3') (residue 312 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 311 and name c3') (residue 311 and name o3')
       (residue 312 and name p) (residue 312 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 311 and name o3') (residue 312 and name p)
       (residue 312 and name o5') (residue 312 and name c5') 1.0 -70.0 30.0 2

!312 313
!epsilon
assign (residue 312 and name c4') (residue 312 and name c3')
       (residue 312 and name o3') (residue 313 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 312 and name c3') (residue 312 and name o3')
       (residue 313 and name p) (residue 313 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 312 and name o3') (residue 313 and name p)
       (residue 313 and name o5') (residue 313 and name c5') 1.0 -70.0 30.0 2

!313 314
!epsilon
assign (residue 313 and name c4') (residue 313 and name c3')
       (residue 313 and name o3') (residue 314 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 313 and name c3') (residue 313 and name o3')
       (residue 314 and name p) (residue 314 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 313 and name o3') (residue 314 and name p)
       (residue 314 and name o5') (residue 314 and name c5') 1.0 -70.0 30.0 2

!314 315
!epsilon
assign (residue 314 and name c4') (residue 314 and name c3')
       (residue 314 and name o3') (residue 315 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 314 and name c3') (residue 314 and name o3')
       (residue 315 and name p) (residue 315 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 314 and name o3') (residue 315 and name p)
       (residue 315 and name o5') (residue 315 and name c5') 1.0 -70.0 30.0 2

!315 316
!epsilon
assign (residue 315 and name c4') (residue 315 and name c3')
       (residue 315 and name o3') (residue 316 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 315 and name c3') (residue 315 and name o3')
       (residue 316 and name p) (residue 316 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 315 and name o3') (residue 316 and name p)
       (residue 316 and name o5') (residue 316 and name c5') 1.0 -70.0 30.0 2

!316 317
!epsilon
assign (residue 316 and name c4') (residue 316 and name c3')
       (residue 316 and name o3') (residue 317 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 316 and name c3') (residue 316 and name o3')
       (residue 317 and name p) (residue 317 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 316 and name o3') (residue 317 and name p)
       (residue 317 and name o5') (residue 317 and name c5') 1.0 -70.0 30.0 2

!317 318
!epsilon
assign (residue 317 and name c4') (residue 317 and name c3')
       (residue 317 and name o3') (residue 318 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 317 and name c3') (residue 317 and name o3')
       (residue 318 and name p) (residue 318 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 317 and name o3') (residue 318 and name p)
       (residue 318 and name o5') (residue 318 and name c5') 1.0 -70.0 30.0 2

!318 319
!epsilon
assign (residue 318 and name c4') (residue 318 and name c3')
       (residue 318 and name o3') (residue 319 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 318 and name c3') (residue 318 and name o3')
       (residue 319 and name p) (residue 319 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 318 and name o3') (residue 319 and name p)
       (residue 319 and name o5') (residue 319 and name c5') 1.0 -70.0 30.0 2


!320 321
!epsilon
assign (residue 320 and name c4') (residue 320 and name c3')
       (residue 320 and name o3') (residue 321 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 320 and name c3') (residue 320 and name o3')
       (residue 321 and name p) (residue 321 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 320 and name o3') (residue 321 and name p)
       (residue 321 and name o5') (residue 321 and name c5') 1.0 -70.0 30.0 2

!321 322
!epsilon
assign (residue 321 and name c4') (residue 321 and name c3')
       (residue 321 and name o3') (residue 322 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 321 and name c3') (residue 321 and name o3')
       (residue 322 and name p) (residue 322 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 321 and name o3') (residue 322 and name p)
       (residue 322 and name o5') (residue 322 and name c5') 1.0 -70.0 30.0 2

!322 323
!epsilon
assign (residue 322 and name c4') (residue 322 and name c3')
       (residue 322 and name o3') (residue 323 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 322 and name c3') (residue 322 and name o3')
       (residue 323 and name p) (residue 323 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 322 and name o3') (residue 323 and name p)
       (residue 323 and name o5') (residue 323 and name c5') 1.0 -70.0 30.0 2

!323 324
!epsilon
assign (residue 323 and name c4') (residue 323 and name c3')
       (residue 323 and name o3') (residue 324 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 323 and name c3') (residue 323 and name o3')
       (residue 324 and name p) (residue 324 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 323 and name o3') (residue 324 and name p)
       (residue 324 and name o5') (residue 324 and name c5') 1.0 -70.0 30.0 2

!324 325
!epsilon
assign (residue 324 and name c4') (residue 324 and name c3')
       (residue 324 and name o3') (residue 325 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 324 and name c3') (residue 324 and name o3')
       (residue 325 and name p) (residue 325 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 324 and name o3') (residue 325 and name p)
       (residue 325 and name o5') (residue 325 and name c5') 1.0 -70.0 30.0 2

!325 326
!epsilon
assign (residue 325 and name c4') (residue 325 and name c3')
       (residue 325 and name o3') (residue 326 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 325 and name c3') (residue 325 and name o3')
       (residue 326 and name p) (residue 326 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 325 and name o3') (residue 326 and name p)
       (residue 326 and name o5') (residue 326 and name c5') 1.0 -70.0 30.0 2

!326 327
!epsilon
assign (residue 326 and name c4') (residue 326 and name c3')
       (residue 326 and name o3') (residue 327 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 326 and name c3') (residue 326 and name o3')
       (residue 327 and name p) (residue 327 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 326 and name o3') (residue 327 and name p)
       (residue 327 and name o5') (residue 327 and name c5') 1.0 -70.0 30.0 2

!327 328
!epsilon
assign (residue 327 and name c4') (residue 327 and name c3')
       (residue 327 and name o3') (residue 328 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 327 and name c3') (residue 327 and name o3')
       (residue 328 and name p) (residue 328 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 327 and name o3') (residue 328 and name p)
       (residue 328 and name o5') (residue 328 and name c5') 1.0 -70.0 30.0 2

!328 329
!epsilon
assign (residue 328 and name c4') (residue 328 and name c3')
       (residue 328 and name o3') (residue 329 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 328 and name c3') (residue 328 and name o3')
       (residue 329 and name p) (residue 329 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 328 and name o3') (residue 329 and name p)
       (residue 329 and name o5') (residue 329 and name c5') 1.0 -70.0 30.0 2

!329 330
!epsilon
assign (residue 329 and name c4') (residue 329 and name c3')
       (residue 329 and name o3') (residue 330 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 329 and name c3') (residue 329 and name o3')
       (residue 330 and name p) (residue 330 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 329 and name o3') (residue 330 and name p)
       (residue 330 and name o5') (residue 330 and name c5') 1.0 -70.0 30.0 2

!330 331
!epsilon
assign (residue 330 and name c4') (residue 330 and name c3')
       (residue 330 and name o3') (residue 331 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 330 and name c3') (residue 330 and name o3')
       (residue 331 and name p) (residue 331 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 330 and name o3') (residue 331 and name p)
       (residue 331 and name o5') (residue 331 and name c5') 1.0 -70.0 30.0 2

!331 332
!epsilon
assign (residue 331 and name c4') (residue 331 and name c3')
       (residue 331 and name o3') (residue 332 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 331 and name c3') (residue 331 and name o3')
       (residue 332 and name p) (residue 332 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 331 and name o3') (residue 332 and name p)
       (residue 332 and name o5') (residue 332 and name c5') 1.0 -70.0 30.0 2

!332 333
!epsilon
assign (residue 332 and name c4') (residue 332 and name c3')
       (residue 332 and name o3') (residue 333 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 332 and name c3') (residue 332 and name o3')
       (residue 333 and name p) (residue 333 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 332 and name o3') (residue 333 and name p)
       (residue 333 and name o5') (residue 333 and name c5') 1.0 -70.0 30.0 2

!333 334
!epsilon
assign (residue 333 and name c4') (residue 333 and name c3')
       (residue 333 and name o3') (residue 334 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 333 and name c3') (residue 333 and name o3')
       (residue 334 and name p) (residue 334 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 333 and name o3') (residue 334 and name p)
       (residue 334 and name o5') (residue 334 and name c5') 1.0 -70.0 30.0 2
!334 335
!epsilon
assign (residue 334 and name c4') (residue 334 and name c3')
       (residue 334 and name o3') (residue 335 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 334 and name c3') (residue 334 and name o3')
       (residue 335 and name p) (residue 335 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 334 and name o3') (residue 335 and name p)
       (residue 335 and name o5') (residue 335 and name c5') 1.0 -70.0 30.0 2
!335 336
!epsilon
assign (residue 335 and name c4') (residue 335 and name c3')
       (residue 335 and name o3') (residue 336 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 335 and name c3') (residue 335 and name o3')
       (residue 336 and name p) (residue 336 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 335 and name o3') (residue 336 and name p)
       (residue 336 and name o5') (residue 336 and name c5') 1.0 -70.0 30.0 2
!336 337
!epsilon
assign (residue 336 and name c4') (residue 336 and name c3')
       (residue 336 and name o3') (residue 337 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 336 and name c3') (residue 336 and name o3')
       (residue 337 and name p) (residue 337 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 336 and name o3') (residue 337 and name p)
       (residue 337 and name o5') (residue 337 and name c5') 1.0 -70.0 30.0 2
!337 338
!epsilon
assign (residue 337 and name c4') (residue 337 and name c3')
       (residue 337 and name o3') (residue 338 and name p) 1.0 180.0 40.0 2
!zeta
assign (residue 337 and name c3') (residue 337 and name o3')
       (residue 338 and name p) (residue 338 and name o5') 1.0 -90.0 30.0 2
!alpha
assign (residue 337 and name o3') (residue 338 and name p)
       (residue 338 and name o5') (residue 338 and name c5') 1.0 -70.0 30.0 2

!============================================================================
!beta
!============================================================================

assign (residue 302 and name p) (residue 302 and name o5')
       (residue 302 and name c5') (residue 302 and name c4') 1.0 180.0 50.0 2

assign (residue 303 and name p) (residue 303 and name o5')
       (residue 303 and name c5') (residue 303 and name c4') 1.0 180.0 50.0 2

assign (residue 304 and name p) (residue 304 and name o5')
       (residue 304 and name c5') (residue 304 and name c4') 1.0 180.0 50.0 2

assign (residue 305 and name p) (residue 305 and name o5')
       (residue 305 and name c5') (residue 305 and name c4') 1.0 180.0 50.0 2

assign (residue 306 and name p) (residue 306 and name o5')
       (residue 306 and name c5') (residue 306 and name c4') 1.0 180.0 50.0 2

assign (residue 307 and name p) (residue 307 and name o5')
       (residue 307 and name c5') (residue 307 and name c4') 1.0 180.0 50.0 2

assign (residue 308 and name p) (residue 308 and name o5')
       (residue 308 and name c5') (residue 308 and name c4') 1.0 180.0 50.0 2

assign (residue 309 and name p) (residue 309 and name o5')
       (residue 309 and name c5') (residue 309 and name c4') 1.0 180.0 50.0 2

assign (residue 310 and name p) (residue 310 and name o5')
       (residue 310 and name c5') (residue 310 and name c4') 1.0 180.0 50.0 2

assign (residue 311 and name p) (residue 311 and name o5')
       (residue 311 and name c5') (residue 311 and name c4') 1.0 180.0 50.0 2

assign (residue 312 and name p) (residue 312 and name o5')
       (residue 312 and name c5') (residue 312 and name c4') 1.0 180.0 50.0 2

assign (residue 313 and name p) (residue 313 and name o5')
       (residue 313 and name c5') (residue 313 and name c4') 1.0 180.0 50.0 2

assign (residue 314 and name p) (residue 314 and name o5')
       (residue 314 and name c5') (residue 314 and name c4') 1.0 180.0 50.0 2

assign (residue 315 and name p) (residue 315 and name o5')
       (residue 315 and name c5') (residue 315 and name c4') 1.0 180.0 50.0 2

assign (residue 316 and name p) (residue 316 and name o5')
       (residue 316 and name c5') (residue 316 and name c4') 1.0 180.0 50.0 2

assign (residue 317 and name p) (residue 317 and name o5')
       (residue 317 and name c5') (residue 317 and name c4') 1.0 180.0 50.0 2

assign (residue 318 and name p) (residue 318 and name o5')
       (residue 318 and name c5') (residue 318 and name c4') 1.0 180.0 50.0 2

assign (residue 319 and name p) (residue 319 and name o5')
       (residue 319 and name c5') (residue 319 and name c4') 1.0 180.0 50.0 2

assign (residue 321 and name p) (residue 321 and name o5')
       (residue 321 and name c5') (residue 321 and name c4') 1.0 180.0 50.0 2

assign (residue 322 and name p) (residue 322 and name o5')
       (residue 322 and name c5') (residue 322 and name c4') 1.0 180.0 50.0 2

assign (residue 323 and name p) (residue 323 and name o5')
       (residue 323 and name c5') (residue 323 and name c4') 1.0 180.0 50.0 2

assign (residue 324 and name p) (residue 324 and name o5')
       (residue 324 and name c5') (residue 324 and name c4') 1.0 180.0 50.0 2

assign (residue 325 and name p) (residue 325 and name o5')
       (residue 325 and name c5') (residue 325 and name c4') 1.0 180.0 50.0 2

assign (residue 326 and name p) (residue 326 and name o5')
       (residue 326 and name c5') (residue 326 and name c4') 1.0 180.0 50.0 2

assign (residue 327 and name p) (residue 327 and name o5')
       (residue 327 and name c5') (residue 327 and name c4') 1.0 180.0 50.0 2

assign (residue 328 and name p) (residue 328 and name o5')
       (residue 328 and name c5') (residue 328 and name c4') 1.0 180.0 50.0 2

assign (residue 329 and name p) (residue 329 and name o5')
       (residue 329 and name c5') (residue 329 and name c4') 1.0 180.0 50.0 2

assign (residue 330 and name p) (residue 330 and name o5')
       (residue 330 and name c5') (residue 330 and name c4') 1.0 180.0 50.0 2

assign (residue 331 and name p) (residue 331 and name o5')
       (residue 331 and name c5') (residue 331 and name c4') 1.0 180.0 50.0 2

assign (residue 332 and name p) (residue 332 and name o5')
       (residue 332 and name c5') (residue 332 and name c4') 1.0 180.0 50.0 2

assign (residue 333 and name p) (residue 333 and name o5')
       (residue 333 and name c5') (residue 333 and name c4') 1.0 180.0 50.0 2

assign (residue 334 and name p) (residue 334 and name o5')
       (residue 334 and name c5') (residue 334 and name c4') 1.0 180.0 50.0 2

assign (residue 335 and name p) (residue 335 and name o5')
       (residue 335 and name c5') (residue 335 and name c4') 1.0 180.0 50.0 2

assign (residue 336 and name p) (residue 336 and name o5')
       (residue 336 and name c5') (residue 336 and name c4') 1.0 180.0 50.0 2

assign (residue 337 and name p) (residue 337 and name o5')
       (residue 337 and name c5') (residue 337 and name c4') 1.0 180.0 50.0 2

assign (residue 338 and name p) (residue 338 and name o5')
       (residue 338 and name c5') (residue 338 and name c4') 1.0 180.0 50.0 2

!============================================================================
!gamma
!============================================================================

assign (residue 301 and name o5') (residue 301 and name c5')
       (residue 301 and name c4') (residue 301 and name c3') 1.0 60.0 35.0 2

assign (residue 302 and name o5') (residue 302 and name c5')
       (residue 302 and name c4') (residue 302 and name c3') 1.0 60.0 35.0 2

assign (residue 303 and name o5') (residue 303 and name c5')
       (residue 303 and name c4') (residue 303 and name c3') 1.0 60.0 35.0 2

assign (residue 304 and name o5') (residue 304 and name c5')
       (residue 304 and name c4') (residue 304 and name c3') 1.0 60.0 35.0 2

assign (residue 305 and name o5') (residue 305 and name c5')
       (residue 305 and name c4') (residue 305 and name c3') 1.0 60.0 35.0 2

assign (residue 306 and name o5') (residue 306 and name c5')
       (residue 306 and name c4') (residue 306 and name c3') 1.0 60.0 35.0 2

assign (residue 307 and name o5') (residue 307 and name c5')
       (residue 307 and name c4') (residue 307 and name c3') 1.0 60.0 35.0 2

assign (residue 308 and name o5') (residue 308 and name c5')
       (residue 308 and name c4') (residue 308 and name c3') 1.0 60.0 35.0 2

assign (residue 309 and name o5') (residue 309 and name c5')
       (residue 309 and name c4') (residue 309 and name c3') 1.0 60.0 35.0 2

assign (residue 310 and name o5') (residue 310 and name c5')
       (residue 310 and name c4') (residue 310 and name c3') 1.0 60.0 35.0 2

assign (residue 311 and name o5') (residue 311 and name c5')
       (residue 311 and name c4') (residue 311 and name c3') 1.0 60.0 35.0 2

assign (residue 312 and name o5') (residue 312 and name c5')
       (residue 312 and name c4') (residue 312 and name c3') 1.0 60.0 35.0 2

assign (residue 313 and name o5') (residue 313 and name c5')
       (residue 313 and name c4') (residue 313 and name c3') 1.0 60.0 35.0 2

assign (residue 314 and name o5') (residue 314 and name c5')
       (residue 314 and name c4') (residue 314 and name c3') 1.0 60.0 35.0 2

assign (residue 315 and name o5') (residue 315 and name c5')
       (residue 315 and name c4') (residue 315 and name c3') 1.0 60.0 35.0 2

assign (residue 316 and name o5') (residue 316 and name c5')
       (residue 316 and name c4') (residue 316 and name c3') 1.0 60.0 35.0 2

assign (residue 317 and name o5') (residue 317 and name c5')
       (residue 317 and name c4') (residue 317 and name c3') 1.0 60.0 35.0 2

assign (residue 318 and name o5') (residue 318 and name c5')
       (residue 318 and name c4') (residue 318 and name c3') 1.0 60.0 35.0 2

assign (residue 319 and name o5') (residue 319 and name c5')
       (residue 319 and name c4') (residue 319 and name c3') 1.0 60.0 35.0 2

assign (residue 320 and name o5') (residue 320 and name c5')
       (residue 320 and name c4') (residue 320 and name c3') 1.0 60.0 35.0 2

assign (residue 321 and name o5') (residue 321 and name c5')
       (residue 321 and name c4') (residue 321 and name c3') 1.0 60.0 35.0 2

assign (residue 322 and name o5') (residue 322 and name c5')
       (residue 322 and name c4') (residue 322 and name c3') 1.0 60.0 35.0 2

assign (residue 323 and name o5') (residue 323 and name c5')
       (residue 323 and name c4') (residue 323 and name c3') 1.0 60.0 35.0 2

assign (residue 324 and name o5') (residue 324 and name c5')
       (residue 324 and name c4') (residue 324 and name c3') 1.0 60.0 35.0 2

assign (residue 325 and name o5') (residue 325 and name c5')
       (residue 325 and name c4') (residue 325 and name c3') 1.0 60.0 35.0 2

assign (residue 326 and name o5') (residue 326 and name c5')
       (residue 326 and name c4') (residue 326 and name c3') 1.0 60.0 35.0 2

assign (residue 327 and name o5') (residue 327 and name c5')
       (residue 327 and name c4') (residue 327 and name c3') 1.0 60.0 35.0 2

assign (residue 328 and name o5') (residue 328 and name c5')
       (residue 328 and name c4') (residue 328 and name c3') 1.0 60.0 35.0 2

assign (residue 329 and name o5') (residue 329 and name c5')
       (residue 329 and name c4') (residue 329 and name c3') 1.0 60.0 35.0 2

assign (residue 330 and name o5') (residue 330 and name c5')
       (residue 330 and name c4') (residue 330 and name c3') 1.0 60.0 35.0 2

assign (residue 331 and name o5') (residue 331 and name c5')
       (residue 331 and name c4') (residue 331 and name c3') 1.0 60.0 35.0 2

assign (residue 332 and name o5') (residue 332 and name c5')
       (residue 332 and name c4') (residue 332 and name c3') 1.0 60.0 35.0 2

assign (residue 333 and name o5') (residue 333 and name c5')
       (residue 333 and name c4') (residue 333 and name c3') 1.0 60.0 35.0 2

assign (residue 334 and name o5') (residue 334 and name c5')
       (residue 334 and name c4') (residue 334 and name c3') 1.0 60.0 35.0 2

assign (residue 335 and name o5') (residue 335 and name c5')
       (residue 335 and name c4') (residue 335 and name c3') 1.0 60.0 35.0 2

assign (residue 336 and name o5') (residue 336 and name c5')
       (residue 336 and name c4') (residue 336 and name c3') 1.0 60.0 35.0 2

assign (residue 337 and name o5') (residue 337 and name c5')
       (residue 337 and name c4') (residue 337 and name c3') 1.0 60.0 35.0 2

assign (residue 338 and name o5') (residue 338 and name c5')
       (residue 338 and name c4') (residue 338 and name c3') 1.0 60.0 35.0 2

!============================================================================
!delta
!============================================================================

assign (residue 301 and name c5') (residue 301 and name c4')
       (residue 301 and name c3') (residue 301 and name o3') 1.0 145.0 15.0 2

assign (residue 302 and name c5') (residue 302 and name c4')
       (residue 302 and name c3') (residue 302 and name o3') 1.0 145.0 15.0 2

assign (residue 303 and name c5') (residue 303 and name c4')
       (residue 303 and name c3') (residue 303 and name o3') 1.0 145.0 15.0 2

assign (residue 304 and name c5') (residue 304 and name c4')
       (residue 304 and name c3') (residue 304 and name o3') 1.0 145.0 15.0 2

assign (residue 305 and name c5') (residue 305 and name c4')
       (residue 305 and name c3') (residue 305 and name o3') 1.0 75.0 15.0 2

assign (residue 306 and name c5') (residue 306 and name c4')
       (residue 306 and name c3') (residue 306 and name o3') 1.0 75.0 15.0 2

assign (residue 307 and name c5') (residue 307 and name c4')
       (residue 307 and name c3') (residue 307 and name o3') 1.0 145.0 15.0 2

assign (residue 308 and name c5') (residue 308 and name c4')
       (residue 308 and name c3') (residue 308 and name o3') 1.0 145.0 15.0 2

assign (residue 309 and name c5') (residue 309 and name c4')
       (residue 309 and name c3') (residue 309 and name o3') 1.0 145.0 15.0 2

assign (residue 310 and name c5') (residue 310 and name c4')
       (residue 310 and name c3') (residue 310 and name o3') 1.0 145.0 15.0 2

assign (residue 311 and name c5') (residue 311 and name c4')
       (residue 311 and name c3') (residue 311 and name o3') 1.0 145.0 15.0 2

assign (residue 312 and name c5') (residue 312 and name c4')
       (residue 312 and name c3') (residue 312 and name o3') 1.0 145.0 15.0 2

assign (residue 313 and name c5') (residue 313 and name c4')
       (residue 313 and name c3') (residue 313 and name o3') 1.0 145.0 15.0 2

assign (residue 314 and name c5') (residue 314 and name c4')
       (residue 314 and name c3') (residue 314 and name o3') 1.0 145.0 15.0 2

assign (residue 315 and name c5') (residue 315 and name c4')
       (residue 315 and name c3') (residue 315 and name o3') 1.0 145.0 15.0 2

assign (residue 316 and name c5') (residue 316 and name c4')
       (residue 316 and name c3') (residue 316 and name o3') 1.0 145.0 15.0 2

assign (residue 317 and name c5') (residue 317 and name c4')
       (residue 317 and name c3') (residue 317 and name o3') 1.0 145.0 15.0 2

assign (residue 318 and name c5') (residue 318 and name c4')
       (residue 318 and name c3') (residue 318 and name o3') 1.0 145.0 15.0 2

assign (residue 319 and name c5') (residue 319 and name c4')
       (residue 319 and name c3') (residue 319 and name o3') 1.0 145.0 15.0 2

assign (residue 320 and name c5') (residue 320 and name c4')
       (residue 320 and name c3') (residue 320 and name o3') 1.0 145.0 15.0 2

assign (residue 321 and name c5') (residue 321 and name c4')
       (residue 321 and name c3') (residue 321 and name o3') 1.0 145.0 15.0 2

assign (residue 322 and name c5') (residue 322 and name c4')
       (residue 322 and name c3') (residue 322 and name o3') 1.0 145.0 15.0 2

assign (residue 323 and name c5') (residue 323 and name c4')
       (residue 323 and name c3') (residue 323 and name o3') 1.0 145.0 15.0 2

assign (residue 324 and name c5') (residue 324 and name c4')
       (residue 324 and name c3') (residue 324 and name o3') 1.0 145.0 15.0 2

assign (residue 325 and name c5') (residue 325 and name c4')
       (residue 325 and name c3') (residue 325 and name o3') 1.0 145.0 15.0 2

assign (residue 326 and name c5') (residue 326 and name c4')
       (residue 326 and name c3') (residue 326 and name o3') 1.0 145.0 15.0 2

assign (residue 327 and name c5') (residue 327 and name c4')
       (residue 327 and name c3') (residue 327 and name o3') 1.0 145.0 15.0 2

assign (residue 328 and name c5') (residue 328 and name c4')
       (residue 328 and name c3') (residue 328 and name o3') 1.0 145.0 15.0 2

assign (residue 329 and name c5') (residue 329 and name c4')
       (residue 329 and name c3') (residue 329 and name o3') 1.0 145.0 15.0 2

assign (residue 330 and name c5') (residue 330 and name c4')
       (residue 330 and name c3') (residue 330 and name o3') 1.0 145.0 15.0 2

assign (residue 331 and name c5') (residue 331 and name c4')
       (residue 331 and name c3') (residue 331 and name o3') 1.0 145.0 15.0 2

assign (residue 332 and name c5') (residue 332 and name c4')
       (residue 332 and name c3') (residue 332 and name o3') 1.0 75.0 15.0 2

assign (residue 333 and name c5') (residue 333 and name c4')
       (residue 333 and name c3') (residue 333 and name o3') 1.0 145.0 15.0 2

assign (residue 334 and name c5') (residue 334 and name c4')
       (residue 334 and name c3') (residue 334 and name o3') 1.0 145.0 15.0 2

assign (residue 335 and name c5') (residue 335 and name c4')
       (residue 335 and name c3') (residue 335 and name o3') 1.0 145.0 15.0 2

assign (residue 336 and name c5') (residue 336 and name c4')
       (residue 336 and name c3') (residue 336 and name o3') 1.0 145.0 15.0 2

assign (residue 337 and name c5') (residue 337 and name c4')
       (residue 337 and name c3') (residue 337 and name o3') 1.0 145.0 15.0 2

assign (residue 338 and name c5') (residue 338 and name c4')
       (residue 338 and name c3') (residue 338 and name o3') 1.0 145.0 15.0 2


  Entry H atom name         Submitted Coord H atom name
    1   1H5*    T 301          H5'       THY 301  22.211   3.560  20.833
    2   2H5*    T 301          H5''      THY 301  21.669   2.628  22.243
    3    H4*    T 301           H4'      THY 301  21.598   4.963  22.818
    4    H3*    T 301           H3'      THY 301  19.306   3.402  23.074
    5   1H2*    T 301          H2'       THY 301  17.974   4.240  21.362
    6   2H2*    T 301          H2''      THY 301  17.760   5.606  22.481
    7    H1*    T 301           H1'      THY 301  19.145   6.977  21.320
    8    H3     T 301           H3       THY 301  18.040   7.694  17.009
    9   1H5M    T 301          H51       THY 301  19.356   2.496  17.377
   10   2H5M    T 301          H52       THY 301  18.735   3.218  15.873
   11   3H5M    T 301          H53       THY 301  17.601   2.633  17.114
   12    H6     T 301           H6       THY 301  19.147   3.706  19.476
   13    H5T    T 301           H5T      THY 301  19.804   2.167  21.252
   14   1H5*    G 302          H5'       GUA 302  18.774   7.832  24.012
   15   2H5*    G 302          H5''      GUA 302  18.114   8.036  25.648
   16    H4*    G 302           H4'      GUA 302  17.195   9.770  24.272
   17    H3*    G 302           H3'      GUA 302  15.469   8.015  25.601
   18    H1*    G 302           H1'      GUA 302  14.893   9.272  21.990
   19    H8     G 302           H8       GUA 302  15.659   5.444  22.156
   20    H1     G 302           H1       GUA 302  14.264   7.766  16.352
   21   1H2     G 302          HN'       GUA 302  13.898   9.966  16.473
   22   2H2     G 302          HN''      GUA 302  14.048  10.853  17.976
   23   1H2*    G 302          H2'       GUA 302  14.719   6.821  23.736
   24   2H2*    G 302          H2''      GUA 302  13.612   8.214  23.620
   25   1H5*    T 303          H5'       THY 303  13.974  11.214  22.819
   26   2H5*    T 303          H5''      THY 303  13.108  12.333  23.885
   27    H4*    T 303           H4'      THY 303  12.173  12.698  21.756
   28    H3*    T 303           H3'      THY 303  10.477  11.568  23.726
   29   1H2*    T 303          H2'       THY 303  10.069   9.503  22.728
   30   2H2*    T 303          H2''      THY 303   9.011  10.459  21.669
   31    H1*    T 303           H1'      THY 303  10.521  10.594  19.956
   32    H3     T 303           H3       THY 303  11.379   6.687  17.916
   33   1H5M    T 303          H51       THY 303  13.286   5.564  22.522
   34   2H5M    T 303          H52       THY 303  12.005   4.473  21.986
   35   3H5M    T 303          H53       THY 303  11.656   5.740  23.187
   36    H6     T 303           H6       THY 303  11.674   8.077  22.505
   37   1H5*    C 304          H5'       CYT 304   7.961  12.021  19.945
   38   2H5*    C 304          H5''      CYT 304   6.711  13.211  20.374
   39    H4*    C 304           H4'      CYT 304   5.480  11.644  19.173
   40    H3*    C 304           H3'      CYT 304   5.032  11.557  21.982
   41    H1*    C 304           H1'      CYT 304   5.124   8.539  19.558
   42   1H4     C 304          HN'       CYT 304  10.246   4.846  21.722
   43   2H4     C 304          HN''      CYT 304   9.589   4.044  20.314
   44    H5     C 304           H5       CYT 304   9.396   6.929  22.579
   45    H6     C 304           H6       CYT 304   7.775   8.714  22.231
   46   1H2*    C 304          H2'       CYT 304   5.804   9.402  22.374
   47   2H2*    C 304          H2''      CYT 304   4.247   8.916  21.672
   48   1H5*    T 305          H5'       THY 305   2.515   9.210  19.000
   49   2H5*    T 305          H5''      THY 305   0.840   9.689  19.337
   50    H4*    T 305           H4'      THY 305   0.567   7.557  18.472
   51    H3*    T 305           H3'      THY 305   0.788   7.327  21.467
   52   1H2*    T 305          H2'       THY 305   0.878   5.021  21.354
   53   2H2*    T 305          H2''      THY 305  -0.130   4.956  19.879
   54    H1*    T 305           H1'      THY 305   1.788   4.823  18.631
   55    H3     T 305           H3       THY 305   5.037   2.221  20.305
   56   1H5M    T 305          H51       THY 305   5.156   5.647  23.950
   57   2H5M    T 305          H52       THY 305   5.192   7.030  22.832
   58   3H5M    T 305          H53       THY 305   6.563   5.903  22.897
   59    H6     T 305           H6       THY 305   3.355   6.572  21.477
   60   1H5*    T 306          H5'       THY 306  -2.336   5.166  19.271
   61   2H5*    T 306          H5''      THY 306  -3.892   5.213  20.123
   62    H4*    T 306           H4'      THY 306  -3.558   3.010  19.280
   63    H3*    T 306           H3'      THY 306  -3.158   3.221  22.241
   64   1H2*    T 306          H2'       THY 306  -2.565   0.975  22.364
   65   2H2*    T 306          H2''      THY 306  -3.427   0.549  20.863
   66    H1*    T 306           H1'      THY 306  -1.383   0.733  19.824
   67    H3     T 306           H3       THY 306   2.468   0.045  22.065
   68   1H5M    T 306          H51       THY 306   0.440   4.863  23.613
   69   2H5M    T 306          H52       THY 306   2.189   4.546  23.680
   70   3H5M    T 306          H53       THY 306   1.105   3.825  24.893
   71    H6     T 306           H6       THY 306  -0.855   3.521  22.230
   72   1H5*    T 307          H5'       THY 307  -5.580  -0.056  21.049
   73   2H5*    T 307          H5''      THY 307  -7.204   0.063  21.736
   74    H4*    T 307           H4'      THY 307  -6.425  -2.252  21.792
   75    H3*    T 307           H3'      THY 307  -7.464  -0.987  24.057
   76   1H2*    T 307          H2'       THY 307  -5.583  -0.808  25.405
   77   2H2*    T 307          H2''      THY 307  -5.816  -2.552  25.630
   78    H1*    T 307           H1'      THY 307  -4.120  -3.128  24.234
   79    H3     T 307           H3       THY 307  -0.012  -1.558  25.192
   80   1H5M    T 307          H51       THY 307  -3.222   2.748  24.555
   81   2H5M    T 307          H52       THY 307  -1.458   2.896  24.739
   82   3H5M    T 307          H53       THY 307  -2.486   2.665  26.174
   83    H6     T 307           H6       THY 307  -4.229   0.634  24.445
   84   1H5*    G 308          H5'       GUA 308  -6.051  -5.413  24.555
   85   2H5*    G 308          H5''      GUA 308  -7.494  -6.295  25.095
   86    H4*    G 308           H4'      GUA 308  -5.599  -7.393  26.051
   87    H3*    G 308           H3'      GUA 308  -7.577  -6.346  27.749
   88    H1*    G 308           H1'      GUA 308  -3.733  -6.103  28.482
   89    H8     G 308           H8       GUA 308  -5.550  -2.724  27.775
   90    H1     G 308           H1       GUA 308   0.673  -2.259  29.244
   91   1H2     G 308          HN'       GUA 308   0.602  -5.754  29.335
   92   2H2     G 308          HN''      GUA 308   1.547  -4.295  29.530
   93   1H2*    G 308          H2'       GUA 308  -6.343  -4.625  28.732
   94   2H2*    G 308          H2''      GUA 308  -5.690  -5.962  29.713
   95   1H5*    T 309          H5'       THY 309  -3.915  -8.491  29.386
   96   2H5*    T 309          H5''      THY 309  -4.626  -9.952  30.099
   97    H4*    T 309           H4'      THY 309  -2.580  -9.688  31.217
   98    H3*    T 309           H3'      THY 309  -4.910  -9.366  32.782
   99   1H2*    T 309          H2'       THY 309  -4.681  -7.124  33.351
  100   2H2*    T 309          H2''      THY 309  -3.455  -7.736  34.471
  101    H1*    T 309           H1'      THY 309  -1.677  -7.184  33.116
  102    H3     T 309           H3       THY 309  -1.109  -2.738  32.555
  103   1H5M    T 309          H51       THY 309  -6.331  -3.842  31.716
  104   2H5M    T 309          H52       THY 309  -5.608  -3.059  30.298
  105   3H5M    T 309          H53       THY 309  -5.721  -2.175  31.832
  106    H6     T 309           H6       THY 309  -4.842  -5.668  31.791
  107   1H5*    C 310          H5'       CYT 310  -0.696  -9.300  34.544
  108   2H5*    C 310          H5''      CYT 310  -0.697 -10.635  35.712
  109    H4*    C 310           H4'      CYT 310   0.991  -9.108  36.392
  110    H3*    C 310           H3'      CYT 310  -1.134  -9.651  38.159
  111    H1*    C 310           H1'      CYT 310   0.440  -6.106  37.631
  112   1H4     C 310          HN'       CYT 310  -3.417  -1.561  35.332
  113   2H4     C 310          HN''      CYT 310  -4.737  -2.692  35.122
  114    H5     C 310           H5       CYT 310  -4.545  -5.050  35.610
  115    H6     C 310           H6       CYT 310  -3.063  -6.811  36.447
  116   1H2*    C 310          H2'       CYT 310  -2.125  -7.550  38.246
  117   2H2*    C 310          H2''      CYT 310  -0.742  -7.166  39.286
  118   1H5*    A 311          H5'       ADE 311   2.419  -7.020  39.466
  119   2H5*    A 311          H5''      ADE 311   3.078  -7.837  40.897
  120    H4*    A 311           H4'      ADE 311   3.619  -5.511  41.073
  121    H3*    A 311           H3'      ADE 311   2.135  -6.740  43.108
  122    H1*    A 311           H1'      ADE 311   1.359  -3.149  41.746
  123    H8     A 311           H8       ADE 311  -1.303  -5.900  40.995
  124   1H6     A 311          HN'       ADE 311  -4.605  -2.993  38.958
  125   2H6     A 311          HN''      ADE 311  -4.647  -1.272  38.627
  126    H2     A 311           H2       ADE 311  -0.698   0.434  39.992
  127   1H2*    A 311          H2'       ADE 311   0.094  -5.673  42.772
  128   2H2*    A 311          H2''      ADE 311   0.899  -4.352  43.660
  129   1H5*    T 312          H5'       THY 312   3.393  -2.381  43.250
  130   2H5*    T 312          H5''      THY 312   4.399  -2.275  44.706
  131    H4*    T 312           H4'      THY 312   3.609  -0.100  44.253
  132    H3*    T 312           H3'      THY 312   2.877  -1.267  46.704
  133   1H2*    T 312          H2'       THY 312   0.570  -1.349  46.395
  134   2H2*    T 312          H2''      THY 312   0.669   0.395  46.710
  135    H1*    T 312           H1'      THY 312   0.569   0.986  44.485
  136    H3     T 312           H3       THY 312  -3.400   0.004  42.567
  137   1H5M    T 312          H51       THY 312  -1.264  -4.656  44.301
  138   2H5M    T 312          H52       THY 312  -2.792  -4.608  43.399
  139   3H5M    T 312          H53       THY 312  -2.756  -4.240  45.142
  140    H6     T 312           H6       THY 312  -0.104  -2.680  44.812
  141   1H5*    G 313          H5'       GUA 313   1.942   3.414  45.875
  142   2H5*    G 313          H5''      GUA 313   2.870   4.115  47.229
  143    H4*    G 313           H4'      GUA 313   1.148   5.633  46.628
  144    H3*    G 313           H3'      GUA 313   1.374   4.699  49.236
  145    H1*    G 313           H1'      GUA 313  -2.135   4.863  47.390
  146    H8     G 313           H8       GUA 313  -0.606   1.383  48.254
  147    H1     G 313           H1       GUA 313  -6.241   1.310  45.197
  148   1H2     G 313          HN'       GUA 313  -6.830   3.405  44.643
  149   2H2     G 313          HN''      GUA 313  -5.829   4.787  45.025
  150   1H2*    G 313          H2'       GUA 313  -0.503   3.331  49.368
  151   2H2*    G 313          H2''      GUA 313  -1.348   4.884  49.543
  152   1H5*    C 314          H5'       CYT 314  -1.795   7.359  47.947
  153   2H5*    C 314          H5''      CYT 314  -1.781   8.921  48.789
  154    H4*    C 314           H4'      CYT 314  -4.013   8.572  48.061
  155    H3*    C 314           H3'      CYT 314  -3.525   8.789  50.818
  156    H1*    C 314           H1'      CYT 314  -6.058   6.305  49.229
  157   1H4     C 314          HN'       CYT 314  -3.525   0.283  50.648
  158   2H4     C 314          HN''      CYT 314  -4.999   0.023  49.739
  159    H5     C 314           H5       CYT 314  -2.633   2.469  51.116
  160    H6     C 314           H6       CYT 314  -3.008   4.870  50.903
  161   1H2*    C 314          H2'       CYT 314  -4.018   6.606  51.431
  162   2H2*    C 314          H2''      CYT 314  -5.696   7.175  51.343
  163   1H5*    T 315          H5'       THY 315  -7.655   8.319  49.102
  164   2H5*    T 315          H5''      THY 315  -8.520   9.771  49.640
  165    H4*    T 315           H4'      THY 315 -10.161   8.123  49.163
  166    H3*    T 315           H3'      THY 315  -9.995   9.141  51.791
  167   1H2*    T 315          H2'       THY 315  -9.355   7.185  52.885
  168   2H2*    T 315          H2''      THY 315 -11.073   6.780  52.715
  169    H1*    T 315           H1'      THY 315 -10.762   5.456  50.845
  170    H3     T 315           H3       THY 315  -8.614   1.622  51.800
  171   1H5M    T 315          H51       THY 315  -5.096   5.395  53.010
  172   2H5M    T 315          H52       THY 315  -5.046   3.820  53.826
  173   3H5M    T 315          H53       THY 315  -5.968   5.167  54.536
  174    H6     T 315           H6       THY 315  -7.475   6.243  52.475
  175   1H5*    A 316          H5'       ADE 316 -13.261   6.183  50.440
  176   2H5*    A 316          H5''      ADE 316 -14.735   7.138  50.705
  177    H4*    A 316           H4'      ADE 316 -15.355   4.840  50.806
  178    H3*    A 316           H3'      ADE 316 -15.828   6.501  53.020
  179    H1*    A 316           H1'      ADE 316 -14.558   2.822  53.292
  180    H8     A 316           H8       ADE 316 -11.978   5.544  54.375
  181   1H6     A 316          HN'       ADE 316  -8.440   0.755  56.036
  182   2H6     A 316          HN''      ADE 316  -8.559   2.501  55.978
  183    H2     A 316           H2       ADE 316 -12.211  -0.890  54.190
  184   1H2*    A 316          H2'       ADE 316 -14.269   5.564  54.499
  185   2H2*    A 316          H2''      ADE 316 -15.563   4.357  54.707
  186   1H5*    A 317          H5'       ADE 317 -16.785   2.179  52.972
  187   2H5*    A 317          H5''      ADE 317 -18.554   2.074  53.058
  188    H4*    A 317           H4'      ADE 317 -17.821   0.003  53.870
  189    H3*    A 317           H3'      ADE 317 -19.094   1.712  55.731
  190    H1*    A 317           H1'      ADE 317 -16.034  -0.586  56.517
  191    H8     A 317           H8       ADE 317 -15.312   3.243  56.633
  192   1H6     A 317          HN'       ADE 317  -9.845   1.578  59.061
  193   2H6     A 317          HN''      ADE 317 -10.832   2.946  58.574
  194    H2     A 317           H2       ADE 317 -12.153  -2.162  58.123
  195   1H2*    A 317          H2'       ADE 317 -17.275   2.080  57.160
  196   2H2*    A 317          H2''      ADE 317 -17.703   0.450  57.750
  197   1H5*    T 318          H5'       THY 318 -17.946  -2.676  56.442
  198   2H5*    T 318          H5''      THY 318 -19.519  -3.408  56.814
  199    H4*    T 318           H4'      THY 318 -17.842  -4.851  57.697
  200    H3*    T 318           H3'      THY 318 -19.756  -3.729  59.432
  201   1H2*    T 318          H2'       THY 318 -18.363  -2.380  60.723
  202   2H2*    T 318          H2''      THY 318 -17.928  -3.924  61.484
  203    H1*    T 318           H1'      THY 318 -15.963  -4.149  60.309
  204    H3     T 318           H3       THY 318 -12.911  -1.019  61.386
  205   1H5M    T 318          H51       THY 318 -17.447   1.553  59.805
  206   2H5M    T 318          H52       THY 318 -15.892   2.234  59.273
  207   3H5M    T 318          H53       THY 318 -16.355   2.303  60.990
  208    H6     T 318           H6       THY 318 -17.379  -0.746  59.641
  209   1H5*    G 319          H5'       GUA 319 -16.541  -6.453  61.192
  210   2H5*    G 319          H5''      GUA 319 -17.501  -7.914  61.509
  211    H4*    G 319           H4'      GUA 319 -15.753  -8.085  63.049
  212    H3*    G 319           H3'      GUA 319 -18.275  -7.603  64.152
  213    H1*    G 319           H1'      GUA 319 -15.038  -5.742  65.396
  214    H8     G 319           H8       GUA 319 -17.756  -3.533  63.672
  215    H1     G 319           H1       GUA 319 -12.324  -0.553  65.345
  216   1H2     G 319          HN'       GUA 319 -11.245  -3.763  66.219
  217   2H2     G 319          HN''      GUA 319 -10.863  -2.062  66.124
  218    H3T    G 319           H3T      GUA 319 -15.903  -8.217  65.598
  219   1H2*    G 319          H2'       GUA 319 -17.981  -5.424  64.899
  220   2H2*    G 319          H2''      GUA 319 -17.128  -6.226  66.251
  221   1H5*    C 320          H5'       CYT 320  -8.159   2.958  71.133
  222   2H5*    C 320          H5''      CYT 320  -6.401   3.204  71.088
  223    H4*    C 320           H4'      CYT 320  -6.841   0.854  70.816
  224    H3*    C 320           H3'      CYT 320  -5.345   2.210  68.882
  225    H1*    C 320           H1'      CYT 320  -8.139  -0.368  67.968
  226   1H4     C 320          HN'       CYT 320 -12.748   3.433  64.985
  227   2H4     C 320          HN''      CYT 320 -13.279   1.763  64.896
  228    H5     C 320           H5       CYT 320 -10.698   4.110  66.107
  229    H6     C 320           H6       CYT 320  -8.754   3.323  67.384
  230    H5T    C 320           H5T      CYT 320  -8.340   3.784  69.123
  231   1H2*    C 320          H2'       CYT 320  -6.875   2.220  67.121
  232   2H2*    C 320          H2''      CYT 320  -6.316   0.544  66.924
  233   1H5*    A 321          H5'       ADE 321  -6.360  -2.233  68.300
  234   2H5*    A 321          H5''      ADE 321  -4.784  -3.051  68.313
  235    H4*    A 321           H4'      ADE 321  -6.161  -4.453  67.026
  236    H3*    A 321           H3'      ADE 321  -4.025  -3.225  65.674
  237    H1*    A 321           H1'      ADE 321  -7.566  -3.742  64.169
  238    H8     A 321           H8       ADE 321  -6.615  -0.006  64.776
  239   1H6     A 321          HN'       ADE 321 -10.581   1.942  62.786
  240   2H6     A 321          HN''      ADE 321 -12.021   1.252  62.064
  241    H2     A 321           H2       ADE 321 -11.629  -3.229  62.346
  242   1H2*    A 321          H2'       ADE 321  -5.272  -1.791  64.303
  243   2H2*    A 321          H2''      ADE 321  -5.448  -3.277  63.332
  244   1H5*    T 322          H5'       THY 322  -6.909  -5.934  63.682
  245   2H5*    T 322          H5''      THY 322  -5.987  -7.354  63.160
  246    H4*    T 322           H4'      THY 322  -7.849  -7.313  61.733
  247    H3*    T 322           H3'      THY 322  -5.317  -6.803  60.527
  248   1H2*    T 322          H2'       THY 322  -5.747  -4.615  59.814
  249   2H2*    T 322          H2''      THY 322  -6.671  -5.440  58.537
  250    H1*    T 322           H1'      THY 322  -8.711  -5.192  59.614
  251    H3     T 322           H3       THY 322 -10.092  -0.919  59.381
  252   1H5M    T 322          H51       THY 322  -5.169  -0.194  60.530
  253   2H5M    T 322          H52       THY 322  -5.477  -0.864  62.149
  254   3H5M    T 322          H53       THY 322  -6.276   0.646  61.645
  255    H6     T 322           H6       THY 322  -6.120  -2.956  61.162
  256   1H5*    T 323          H5'       THY 323  -9.125  -7.823  58.472
  257   2H5*    T 323          H5''      THY 323  -8.786  -9.319  57.578
  258    H4*    T 323           H4'      THY 323 -10.779  -8.415  56.657
  259    H3*    T 323           H3'      THY 323  -8.531  -8.737  55.003
  260   1H2*    T 323          H2'       THY 323  -8.041  -6.503  54.562
  261   2H2*    T 323          H2''      THY 323  -9.419  -6.643  53.449
  262    H1*    T 323           H1'      THY 323 -10.890  -5.599  54.873
  263    H3     T 323           H3       THY 323  -9.861  -1.268  55.580
  264   1H5M    T 323          H51       THY 323  -5.991  -3.026  58.109
  265   2H5M    T 323          H52       THY 323  -5.370  -2.495  56.528
  266   3H5M    T 323          H53       THY 323  -5.498  -4.231  56.895
  267    H6     T 323           H6       THY 323  -7.464  -5.361  56.381
  268   1H5*    A 324          H5'       ADE 324 -12.470  -7.163  53.270
  269   2H5*    A 324          H5''      ADE 324 -12.922  -8.391  52.071
  270    H4*    A 324           H4'      ADE 324 -13.916  -6.337  51.381
  271    H3*    A 324           H3'      ADE 324 -12.119  -7.625  49.657
  272    H1*    A 324           H1'      ADE 324 -12.216  -3.753  50.176
  273    H8     A 324           H8       ADE 324  -9.052  -5.564  51.554
  274   1H6     A 324          HN'       ADE 324  -6.605  -1.594  52.860
  275   2H6     A 324          HN''      ADE 324  -6.963   0.117  52.770
  276    H2     A 324           H2       ADE 324 -11.090   0.522  51.005
  277   1H2*    A 324          H2'       ADE 324 -10.363  -6.083  49.742
  278   2H2*    A 324          H2''      ADE 324 -11.397  -5.212  48.577
  279   1H5*    G 325          H5'       GUA 325 -14.086  -3.734  48.521
  280   2H5*    G 325          H5''      GUA 325 -15.136  -4.174  47.159
  281    H4*    G 325           H4'      GUA 325 -14.719  -1.882  46.866
  282    H3*    G 325           H3'      GUA 325 -13.695  -3.617  44.902
  283    H1*    G 325           H1'      GUA 325 -11.815  -0.481  46.264
  284    H8     G 325           H8       GUA 325 -10.196  -3.916  47.190
  285    H1     G 325           H1       GUA 325  -6.905   1.310  48.924
  286   1H2     G 325          HN'       GUA 325  -8.059   3.143  48.350
  287   2H2     G 325          HN''      GUA 325  -9.616   3.053  47.561
  288   1H2*    G 325          H2'       GUA 325 -11.406  -3.298  45.323
  289   2H2*    G 325          H2''      GUA 325 -11.699  -1.821  44.379
  290   1H5*    C 326          H5'       CYT 326 -14.069   0.930  44.402
  291   2H5*    C 326          H5''      CYT 326 -14.993   1.180  42.906
  292    H4*    C 326           H4'      CYT 326 -13.775   3.198  43.370
  293    H3*    C 326           H3'      CYT 326 -13.399   1.874  40.926
  294    H1*    C 326           H1'      CYT 326 -10.386   3.336  43.040
  295   1H4     C 326          HN'       CYT 326  -7.384  -2.409  44.682
  296   2H4     C 326          HN''      CYT 326  -6.355  -1.107  45.233
  297    H5     C 326           H5       CYT 326  -9.502  -2.045  43.577
  298    H6     C 326           H6       CYT 326 -11.080  -0.349  42.770
  299   1H2*    C 326          H2'       CYT 326 -11.201   1.149  41.161
  300   2H2*    C 326          H2''      CYT 326 -10.820   2.856  40.848
  301   1H5*    A 327          H5'       ADE 327 -11.095   5.790  41.627
  302   2H5*    A 327          H5''      ADE 327 -11.501   6.899  40.302
  303    H4*    A 327           H4'      ADE 327  -9.262   7.386  41.011
  304    H3*    A 327           H3'      ADE 327  -9.743   6.711  38.335
  305    H1*    A 327           H1'      ADE 327  -6.666   5.408  40.358
  306    H8     A 327           H8       ADE 327  -9.268   2.690  39.327
  307   1H6     A 327          HN'       ADE 327  -5.363  -1.319  41.899
  308   2H6     A 327          HN''      ADE 327  -6.890  -1.125  41.066
  309    H2     A 327           H2       ADE 327  -3.652   2.818  42.487
  310   1H2*    A 327          H2'       ADE 327  -8.720   4.610  38.307
  311   2H2*    A 327          H2''      ADE 327  -7.251   5.596  38.122
  312   1H5*    T 328          H5'       THY 328  -5.679   7.529  39.978
  313   2H5*    T 328          H5''      THY 328  -5.156   9.021  39.175
  314    H4*    T 328           H4'      THY 328  -3.165   8.002  39.898
  315    H3*    T 328           H3'      THY 328  -3.551   8.181  37.095
  316   1H2*    T 328          H2'       THY 328  -3.617   5.907  36.582
  317   2H2*    T 328          H2''      THY 328  -1.864   6.000  36.840
  318    H1*    T 328           H1'      THY 328  -1.954   5.131  38.973
  319    H3     T 328           H3       THY 328  -3.262   0.806  39.089
  320   1H5M    T 328          H51       THY 328  -7.500   1.965  37.294
  321   2H5M    T 328          H52       THY 328  -6.642   2.316  35.775
  322   3H5M    T 328          H53       THY 328  -7.266   3.649  36.771
  323    H6     T 328           H6       THY 328  -5.316   4.784  37.338
  324   1H5*    G 329          H5'       GUA 329   0.416   6.738  38.971
  325   2H5*    G 329          H5''      GUA 329   1.608   7.893  38.341
  326    H4*    G 329           H4'      GUA 329   2.766   5.869  38.870
  327    H3*    G 329           H3'      GUA 329   2.879   6.874  36.260
  328    H1*    G 329           H1'      GUA 329   2.456   3.067  37.070
  329    H8     G 329           H8       GUA 329  -0.610   4.829  35.424
  330    H1     G 329           H1       GUA 329  -1.206  -1.482  36.383
  331   1H2     G 329          HN'       GUA 329   1.950  -1.234  37.876
  332   2H2     G 329          HN''      GUA 329   0.616  -2.269  37.418
  333   1H2*    G 329          H2'       GUA 329   1.614   5.240  35.171
  334   2H2*    G 329          H2''      GUA 329   3.147   4.336  35.268
  335   1H5*    A 330          H5'       ADE 330   4.944   3.014  37.341
  336   2H5*    A 330          H5''      ADE 330   6.676   3.354  37.155
  337    H4*    A 330           H4'      ADE 330   6.492   1.031  36.851
  338    H3*    A 330           H3'      ADE 330   7.322   2.530  34.623
  339    H1*    A 330           H1'      ADE 330   4.909  -0.521  34.453
  340    H8     A 330           H8       ADE 330   3.300   2.909  33.558
  341   1H6     A 330          HN'       ADE 330  -1.744  -0.362  32.225
  342   2H6     A 330          HN''      ADE 330  -1.032   1.236  32.271
  343    H2     A 330           H2       ADE 330   1.383  -3.240  33.752
  344   1H2*    A 330          H2'       ADE 330   5.446   2.198  33.267
  345   2H2*    A 330          H2''      ADE 330   6.252   0.638  32.958
  346   1H5*    C 331          H5'       CYT 331   6.888  -1.955  34.203
  347   2H5*    C 331          H5''      CYT 331   8.567  -2.507  34.027
  348    H4*    C 331           H4'      CYT 331   7.353  -4.157  32.900
  349    H3*    C 331           H3'      CYT 331   8.882  -2.414  31.242
  350    H1*    C 331           H1'      CYT 331   5.378  -3.918  30.424
  351   1H4     C 331          HN'       CYT 331   0.527   0.152  29.487
  352   2H4     C 331          HN''      CYT 331   1.533   1.536  29.856
  353    H5     C 331           H5       CYT 331   3.850   1.350  30.488
  354    H6     C 331           H6       CYT 331   5.695  -0.197  30.918
  355   1H2*    C 331          H2'       CYT 331   7.144  -1.508  29.991
  356   2H2*    C 331          H2''      CYT 331   7.154  -3.093  29.189
  357   1H5*    A 332          H5'       ADE 332   7.516  -6.714  29.555
  358   2H5*    A 332          H5''      ADE 332   8.786  -7.269  28.443
  359    H4*    A 332           H4'      ADE 332   6.660  -8.018  27.609
  360    H3*    A 332           H3'      ADE 332   7.891  -5.777  26.031
  361    H1*    A 332           H1'      ADE 332   4.076  -6.491  26.505
  362    H8     A 332           H8       ADE 332   6.641  -3.628  27.092
  363   1H6     A 332          HN'       ADE 332   1.765   0.081  26.111
  364   2H6     A 332          HN''      ADE 332   3.446   0.036  26.607
  365    H2     A 332           H2       ADE 332   0.482  -4.165  25.346
  366   1H2*    A 332          H2'       ADE 332   6.023  -5.590  24.664
  367   2H2*    A 332          H2''      ADE 332   5.536  -7.292  24.939
  368   1H5*    A 333          H5'       ADE 333   6.248  -8.235  23.093
  369   2H5*    A 333          H5''      ADE 333   7.589  -9.119  22.353
  370    H4*    A 333           H4'      ADE 333   6.070  -8.429  20.608
  371    H3*    A 333           H3'      ADE 333   8.792  -7.718  20.582
  372    H1*    A 333           H1'      ADE 333   5.908  -5.175  19.671
  373    H8     A 333           H8       ADE 333   8.070  -4.436  22.844
  374   1H6     A 333          HN'       ADE 333   4.304   0.428  23.591
  375   2H6     A 333          HN''      ADE 333   5.736  -0.381  24.192
  376    H2     A 333           H2       ADE 333   2.787  -1.969  20.093
  377   1H2*    A 333          H2'       ADE 333   8.633  -5.418  20.889
  378   2H2*    A 333          H2''      ADE 333   8.140  -5.427  19.175
  379   1H5*    A 334          H5'       ADE 334   6.260  -6.295  17.052
  380   2H5*    A 334          H5''      ADE 334   6.984  -7.119  15.655
  381    H4*    A 334           H4'      ADE 334   6.160  -5.134  14.750
  382    H3*    A 334           H3'      ADE 334   8.975  -5.349  14.830
  383    H1*    A 334           H1'      ADE 334   6.956  -2.065  15.575
  384    H8     A 334           H8       ADE 334   9.105  -3.445  18.530
  385   1H6     A 334          HN'       ADE 334   6.818   1.409  21.671
  386   2H6     A 334          HN''      ADE 334   7.932   0.053  21.751
  387    H2     A 334           H2       ADE 334   4.838   1.297  17.641
  388   1H2*    A 334          H2'       ADE 334   9.440  -3.597  16.303
  389   2H2*    A 334          H2''      ADE 334   9.102  -2.576  14.875
  390   1H5*    G 335          H5'       GUA 335   6.927  -1.749  12.809
  391   2H5*    G 335          H5''      GUA 335   7.394  -2.044  11.121
  392    H4*    G 335           H4'      GUA 335   6.990   0.263  11.211
  393    H3*    G 335           H3'      GUA 335   9.691  -0.514  10.798
  394    H1*    G 335           H1'      GUA 335   8.478   2.483  12.989
  395    H8     G 335           H8       GUA 335  10.406  -0.302  14.936
  396    H1     G 335           H1       GUA 335   8.091   4.512  18.512
  397   1H2     G 335          HN'       GUA 335   6.816   5.848  17.254
  398   2H2     G 335          HN''      GUA 335   6.546   5.540  15.552
  399   1H2*    G 335          H2'       GUA 335  10.604   0.354  12.763
  400   2H2*    G 335          H2''      GUA 335  10.443   1.897  11.899
  401   1H5*    A 336          H5'       ADE 336   7.792   3.488   9.545
  402   2H5*    A 336          H5''      ADE 336   8.447   3.985   7.973
  403    H4*    A 336           H4'      ADE 336   7.562   5.916   9.122
  404    H3*    A 336           H3'      ADE 336  10.159   5.950   8.145
  405    H1*    A 336           H1'      ADE 336   9.314   7.259  11.764
  406    H8     A 336           H8       ADE 336  11.256   3.900  11.429
  407   1H6     A 336          HN'       ADE 336  12.280   3.380  16.175
  408   2H6     A 336          HN''      ADE 336  11.895   4.354  17.581
  409    H2     A 336           H2       ADE 336   9.418   7.833  16.171
  410   1H2*    A 336          H2'       ADE 336  11.355   5.787  10.142
  411   2H2*    A 336          H2''      ADE 336  10.989   7.525  10.216
  412   1H5*    C 337          H5'       CYT 337   8.838   9.410  10.746
  413   2H5*    C 337          H5''      CYT 337   8.763  10.825   9.675
  414    H4*    C 337           H4'      CYT 337   9.244  11.723  11.797
  415    H3*    C 337           H3'      CYT 337  11.288  11.945   9.847
  416    H1*    C 337           H1'      CYT 337  11.853  11.185  13.630
  417   1H4     C 337          HN'       CYT 337  14.591   5.077  13.572
  418   2H4     C 337          HN''      CYT 337  14.470   5.596  15.243
  419    H5     C 337           H5       CYT 337  13.767   6.409  11.714
  420    H6     C 337           H6       CYT 337  12.731   8.536  11.085
  421   1H2*    C 337          H2'       CYT 337  12.920  10.637  10.866
  422   2H2*    C 337          H2''      CYT 337  13.119  12.055  11.915
  423   1H5*    A 338          H5'       ADE 338  11.946  13.799  14.025
  424   2H5*    A 338          H5''      ADE 338  11.786  15.510  13.574
  425    H4*    A 338           H4'      ADE 338  13.081  15.576  15.521
  426    H3*    A 338           H3'      ADE 338  14.376  16.359  13.184
  427    H1*    A 338           H1'      ADE 338  16.109  13.972  15.812
  428    H8     A 338           H8       ADE 338  15.289  12.491  12.305
  429   1H6     A 338          HN'       ADE 338  17.310   7.147  14.656
  430   2H6     A 338          HN''      ADE 338  16.716   7.955  13.222
  431    H2     A 338           H2       ADE 338  17.375  10.217  17.965
  432    H3T    A 338           H3T      ADE 338  14.464  16.872  15.818
  433   1H2*    A 338          H2'       ADE 338  15.832  14.580  12.889
  434   2H2*    A 338          H2''      ADE 338  16.785  15.418  14.146
  435    H    GLU   5           HT1      GLU   5  -3.977 -27.934  65.454
  436    HA   GLU   5           HA       GLU   5  -3.826 -26.163  64.002
  437   1HB   GLU   5          HB1       GLU   5  -1.330 -27.539  63.016
  438   2HB   GLU   5          HB2       GLU   5  -1.461 -25.978  63.826
  439    H    GLU   6           HN       GLU   6  -5.540 -26.338  62.779
  440    HA   GLU   6           HA       GLU   6  -5.916 -28.624  60.965
  441   1HB   GLU   6          HB2       GLU   6  -7.682 -28.192  62.640
  442   2HB   GLU   6          HB1       GLU   6  -7.906 -26.574  61.971
  443   1HG   GLU   6          HG2       GLU   6  -8.627 -27.465  59.854
  444   2HG   GLU   6          HG1       GLU   6  -8.172 -29.102  60.326
  445    HA   PRO   7           HA       PRO   7  -6.824 -24.723  58.284
  446   1HB   PRO   7          HB2       PRO   7  -5.400 -22.461  59.030
  447   2HB   PRO   7          HB1       PRO   7  -7.119 -22.738  59.362
  448   1HG   PRO   7          HG2       PRO   7  -4.779 -23.014  61.154
  449   2HG   PRO   7          HG1       PRO   7  -6.442 -22.530  61.526
  450   1HD   PRO   7          HD2       PRO   7  -5.431 -25.022  62.096
  451   2HD   PRO   7          HD1       PRO   7  -7.157 -24.708  61.795
  452    H    SER   8           HN       SER   8  -5.533 -23.982  56.544
  453    HA   SER   8           HA       SER   8  -3.238 -25.456  55.966
  454   1HB   SER   8          HB2       SER   8  -4.716 -24.396  54.280
  455   2HB   SER   8          HB1       SER   8  -4.101 -22.818  54.760
  456    HG   SER   8           HG       SER   8  -2.181 -23.289  53.898
  457    H    ASP   9           HN       ASP   9  -1.057 -25.133  56.293
  458    HA   ASP   9           HA       ASP   9  -0.250 -22.833  57.926
  459   1HB   ASP   9          HB2       ASP   9   1.851 -23.994  58.186
  460   2HB   ASP   9          HB1       ASP   9   0.591 -25.218  58.342
  461    H    LEU  10           HN       LEU  10   2.049 -21.986  57.054
  462    HA   LEU  10           HA       LEU  10   1.507 -20.425  54.849
  463   1HB   LEU  10          HB2       LEU  10   3.294 -20.190  56.677
  464   2HB   LEU  10          HB1       LEU  10   4.309 -21.172  55.618
  465    HG   LEU  10           HG       LEU  10   2.865 -18.754  54.546
  466   1HD1  LEU  10          HD11      LEU  10   4.134 -17.930  56.457
  467   2HD1  LEU  10          HD12      LEU  10   4.972 -17.477  54.975
  468   3HD1  LEU  10          HD13      LEU  10   5.558 -18.831  55.940
  469   1HD2  LEU  10          HD21      LEU  10   4.929 -20.676  53.672
  470   2HD2  LEU  10          HD22      LEU  10   5.309 -18.990  53.319
  471   3HD2  LEU  10          HD23      LEU  10   3.817 -19.703  52.708
  472    H    GLU  11           HN       GLU  11   3.471 -23.417  54.883
  473    HA   GLU  11           HA       GLU  11   4.227 -23.226  52.157
  474   1HB   GLU  11          HB2       GLU  11   3.850 -25.828  53.619
  475   2HB   GLU  11          HB1       GLU  11   5.040 -25.421  52.385
  476   1HG   GLU  11          HG2       GLU  11   6.240 -23.988  53.884
  477   2HG   GLU  11          HG1       GLU  11   4.943 -24.049  55.079
  478    H    GLU  12           HN       GLU  12   1.427 -24.721  53.737
  479    HA   GLU  12           HA       GLU  12   0.480 -26.016  51.382
  480   1HB   GLU  12          HB2       GLU  12  -1.071 -25.110  53.820
  481   2HB   GLU  12          HB1       GLU  12  -1.595 -26.306  52.635
  482   1HG   GLU  12          HG2       GLU  12   0.354 -27.720  53.214
  483   2HG   GLU  12          HG1       GLU  12   0.842 -26.535  54.425
  484    H    LEU  13           HN       LEU  13  -0.113 -22.832  52.831
  485    HA   LEU  13           HA       LEU  13  -2.250 -22.020  51.103
  486   1HB   LEU  13          HB2       LEU  13  -0.902 -20.938  53.297
  487   2HB   LEU  13          HB1       LEU  13  -0.485 -19.854  51.969
  488    HG   LEU  13           HG       LEU  13  -2.782 -19.399  51.494
  489   1HD1  LEU  13          HD11      LEU  13  -3.160 -22.005  52.608
  490   2HD1  LEU  13          HD12      LEU  13  -4.335 -21.005  51.755
  491   3HD1  LEU  13          HD13      LEU  13  -4.173 -20.875  53.507
  492   1HD2  LEU  13          HD21      LEU  13  -2.528 -19.563  54.514
  493   2HD2  LEU  13          HD22      LEU  13  -3.570 -18.468  53.605
  494   3HD2  LEU  13          HD23      LEU  13  -1.818 -18.285  53.526
  495    H    GLU  14           HN       GLU  14   1.304 -21.789  50.915
  496    HA   GLU  14           HA       GLU  14   1.439 -20.171  48.597
  497   1HB   GLU  14          HB2       GLU  14   3.321 -22.208  49.798
  498   2HB   GLU  14          HB1       GLU  14   3.723 -21.283  48.351
  499   1HG   GLU  14          HG2       GLU  14   3.484 -19.188  49.555
  500   2HG   GLU  14          HG1       GLU  14   2.899 -20.035  50.988
  501    H    GLN  15           HN       GLN  15   1.095 -23.658  49.105
  502    HA   GLN  15           HA       GLN  15   1.443 -24.383  46.350
  503   1HB   GLN  15          HB2       GLN  15   1.796 -25.998  48.158
  504   2HB   GLN  15          HB1       GLN  15   0.104 -25.855  48.634
  505   1HG   GLN  15          HG2       GLN  15   0.531 -27.862  47.214
  506   2HG   GLN  15          HG1       GLN  15  -0.620 -26.744  46.482
  507   1HE2  GLN  15          HE21      GLN  15  -0.210 -26.582  44.277
  508   2HE2  GLN  15          HE22      GLN  15   1.333 -26.542  43.571
  509    H    PHE  16           HN       PHE  16  -1.397 -23.802  48.420
  510    HA   PHE  16           HA       PHE  16  -3.406 -24.452  46.556
  511   1HB   PHE  16          HB2       PHE  16  -3.877 -24.086  48.944
  512   2HB   PHE  16          HB1       PHE  16  -3.406 -22.393  48.790
  513    HD1  PHE  16           HD1      PHE  16  -5.911 -24.934  47.791
  514    HD2  PHE  16           HD2      PHE  16  -4.868 -20.768  47.784
  515    HE1  PHE  16           HE1      PHE  16  -8.213 -24.359  47.067
  516    HE2  PHE  16           HE2      PHE  16  -7.169 -20.192  47.060
  517    HZ   PHE  16           HZ       PHE  16  -8.841 -21.988  46.702
  518    H    ALA  17           HN       ALA  17  -1.639 -21.411  47.237
  519    HA   ALA  17           HA       ALA  17  -3.047 -19.711  45.475
  520   1HB   ALA  17          HB1       ALA  17  -1.478 -18.895  47.192
  521   2HB   ALA  17          HB2       ALA  17  -1.054 -18.271  45.597
  522   3HB   ALA  17          HB3       ALA  17  -0.133 -19.602  46.299
  523    H    LYS  18           HN       LYS  18  -0.243 -21.753  45.040
  524    HA   LYS  18           HA       LYS  18   0.440 -21.060  42.403
  525   1HB   LYS  18          HB2       LYS  18   0.813 -23.600  44.001
  526   1HB   LYS  18          HB2       LYS  18   1.900 -22.392  43.889
  527   2HB   LYS  18          HB1       LYS  18   1.451 -23.392  42.372
  528   2HB   LYS  18          HB1       LYS  18   0.748 -23.721  43.816
  529   1HG   LYS  18          HG2       LYS  18   2.020 -21.378  44.543
  530   1HG   LYS  18          HG2       LYS  18   2.490 -24.193  42.220
  531   2HG   LYS  18          HG1       LYS  18   3.023 -22.807  44.339
  532   2HG   LYS  18          HG1       LYS  18   1.058 -23.747  41.302
  533   1HD   LYS  18          HD2       LYS  18   3.495 -22.127  42.011
  534   1HD   LYS  18          HD2       LYS  18   1.913 -21.578  40.819
  535   2HD   LYS  18          HD1       LYS  18   2.500 -20.694  42.221
  536   2HD   LYS  18          HD1       LYS  18   3.164 -21.715  42.054
  537   1HE   LYS  18          HE2       LYS  18   3.948 -19.943  44.067
  538   1HE   LYS  18          HE2       LYS  18   4.224 -23.532  40.744
  539   2HE   LYS  18          HE1       LYS  18   4.980 -21.351  43.809
  540   2HE   LYS  18          HE1       LYS  18   2.984 -23.342  39.503
  541   1HZ   LYS  18          HZ1       LYS  18   5.117 -20.541  41.425
  542   1HZ   LYS  18          HZ1       LYS  18   3.702 -20.915  39.483
  543   2HZ   LYS  18          HZ2       LYS  18   5.978 -19.655  42.592
  544   2HZ   LYS  18          HZ2       LYS  18   4.744 -22.045  38.758
  545   3HZ   LYS  18          HZ3       LYS  18   4.497 -19.071  41.998
  546   3HZ   LYS  18          HZ3       LYS  18   5.090 -21.436  40.306
  547    H    THR  19           HN       THR  19  -1.493 -23.726  43.703
  548    HA   THR  19           HA       THR  19  -2.324 -24.867  41.302
  549    HB   THR  19           HB       THR  19  -3.678 -24.816  44.001
  550    HG1  THR  19           HG1      THR  19  -1.837 -26.522  42.699
  551   1HG2  THR  19          HG21      THR  19  -4.701 -26.975  43.093
  552   2HG2  THR  19          HG22      THR  19  -4.188 -26.429  41.498
  553   3HG2  THR  19          HG23      THR  19  -5.342 -25.474  42.429
  554    H    PHE  20           HN       PHE  20  -3.998 -22.503  43.326
  555    HA   PHE  20           HA       PHE  20  -6.379 -22.247  41.900
  556   1HB   PHE  20          HB2       PHE  20  -5.969 -21.276  44.130
  557   2HB   PHE  20          HB1       PHE  20  -4.826 -20.135  43.423
  558    HD1  PHE  20           HD1      PHE  20  -5.607 -18.385  41.853
  559    HD2  PHE  20           HD2      PHE  20  -8.340 -20.989  43.898
  560    HE1  PHE  20           HE1      PHE  20  -7.474 -16.845  41.315
  561    HE2  PHE  20           HE2      PHE  20 -10.209 -19.452  43.361
  562    HZ   PHE  20           HZ       PHE  20  -9.775 -17.379  42.070
  563    H    LYS  21           HN       LYS  21  -3.321 -20.395  41.541
  564    HA   LYS  21           HA       LYS  21  -4.275 -18.718  39.467
  565   1HB   LYS  21          HB2       LYS  21  -2.289 -18.260  40.872
  566   2HB   LYS  21          HB1       LYS  21  -1.431 -19.571  40.059
  567   1HG   LYS  21          HG2       LYS  21  -1.663 -18.450  37.936
  568   2HG   LYS  21          HG1       LYS  21  -2.625 -17.168  38.652
  569   1HD   LYS  21          HD2       LYS  21  -0.683 -16.556  40.074
  570   2HD   LYS  21          HD1       LYS  21   0.271 -17.813  39.283
  571   1HE   LYS  21          HE2       LYS  21   0.000 -16.711  37.119
  572   2HE   LYS  21          HE1       LYS  21  -1.045 -15.488  37.845
  573   1HZ   LYS  21          HZ1       LYS  21   1.152 -15.405  39.408
  574   2HZ   LYS  21          HZ2       LYS  21   0.836 -14.348  38.115
  575   3HZ   LYS  21          HZ3       LYS  21   1.824 -15.711  37.881
  576    H    GLN  22           HN       GLN  22  -2.652 -21.868  39.411
  577    HA   GLN  22           HA       GLN  22  -2.196 -21.945  36.613
  578   1HB   GLN  22          HB2       GLN  22  -2.633 -24.132  38.660
  579   1HB   GLN  22          HB2       GLN  22  -2.569 -24.091  38.712
  580   2HB   GLN  22          HB1       GLN  22  -2.177 -24.456  36.989
  581   2HB   GLN  22          HB1       GLN  22  -2.238 -24.483  37.022
  582   1HG   GLN  22          HG2       GLN  22  -0.588 -22.563  38.717
  583   1HG   GLN  22          HG2       GLN  22  -0.183 -23.126  37.094
  584   2HG   GLN  22          HG1       GLN  22  -0.287 -24.300  38.737
  585   2HG   GLN  22          HG1       GLN  22  -0.506 -22.713  38.775
  586   1HE2  GLN  22          HE21      GLN  22   1.101 -21.744  37.514
  587   1HE2  GLN  22          HE21      GLN  22   1.768 -24.332  37.532
  588   2HE2  GLN  22          HE22      GLN  22   1.556 -22.311  35.990
  589   2HE2  GLN  22          HE22      GLN  22   1.754 -25.803  38.379
  590    H    ARG  23           HN       ARG  23  -4.885 -23.162  38.576
  591    HA   ARG  23           HA       ARG  23  -6.394 -24.293  36.490
  592   1HB   ARG  23          HB2       ARG  23  -6.627 -24.588  39.039
  593   2HB   ARG  23          HB1       ARG  23  -7.561 -23.091  38.997
  594   1HG   ARG  23          HG2       ARG  23  -9.153 -24.866  38.793
  595   2HG   ARG  23          HG1       ARG  23  -8.979 -24.181  37.176
  596   1HD   ARG  23          HD2       ARG  23  -7.111 -25.998  36.897
  597   2HD   ARG  23          HD1       ARG  23  -7.921 -26.782  38.250
  598    HE   ARG  23           HE       ARG  23  -9.981 -26.215  36.484
  599   1HH1  ARG  23          HH21      ARG  23  -6.924 -27.801  36.340
  600   2HH1  ARG  23          HH22      ARG  23  -7.412 -28.920  35.111
  601   1HH2  ARG  23          HH11      ARG  23 -10.641 -27.674  34.888
  602   2HH2  ARG  23          HH12      ARG  23  -9.517 -28.848  34.288
  603    H    ARG  24           HN       ARG  24  -6.446 -21.060  37.995
  604    HA   ARG  24           HA       ARG  24  -8.673 -20.024  36.629
  605   1HB   ARG  24          HB2       ARG  24  -7.456 -18.888  38.497
  606   2HB   ARG  24          HB1       ARG  24  -6.135 -18.547  37.379
  607   1HG   ARG  24          HG2       ARG  24  -7.777 -17.338  35.905
  608   2HG   ARG  24          HG1       ARG  24  -8.996 -17.569  37.161
  609   1HD   ARG  24          HD2       ARG  24  -7.988 -15.385  37.449
  610   2HD   ARG  24          HD1       ARG  24  -7.449 -16.428  38.767
  611    HE   ARG  24           HE       ARG  24  -5.513 -16.738  36.772
  612   1HH1  ARG  24          HH21      ARG  24  -6.967 -14.245  38.566
  613   2HH1  ARG  24          HH22      ARG  24  -5.583 -13.213  38.514
  614   1HH2  ARG  24          HH11      ARG  24  -3.661 -15.365  36.672
  615   2HH2  ARG  24          HH12      ARG  24  -3.744 -13.813  37.436
  616    H    ILE  25           HN       ILE  25  -5.211 -19.915  35.757
  617    HA   ILE  25           HA       ILE  25  -5.618 -18.551  33.320
  618    HB   ILE  25           HB       ILE  25  -3.331 -20.233  34.310
  619   1HG1  ILE  25          HG12      ILE  25  -3.618 -17.244  33.867
  620   2HG1  ILE  25          HG11      ILE  25  -3.945 -18.023  35.414
  621   1HG2  ILE  25          HG21      ILE  25  -3.842 -18.877  31.662
  622   2HG2  ILE  25          HG22      ILE  25  -3.031 -20.403  31.991
  623   3HG2  ILE  25          HG23      ILE  25  -2.205 -18.886  32.292
  624   1HD1  ILE  25          HD11      ILE  25  -1.737 -18.369  35.838
  625   2HD1  ILE  25          HD12      ILE  25  -1.500 -17.041  34.727
  626   3HD1  ILE  25          HD13      ILE  25  -1.343 -18.695  34.178
  627    H    LYS  26           HN       LYS  26  -5.276 -21.992  34.157
  628    HA   LYS  26           HA       LYS  26  -5.229 -23.016  31.536
  629   1HB   LYS  26          HB2       LYS  26  -6.244 -24.109  34.157
  630   2HB   LYS  26          HB1       LYS  26  -6.402 -25.037  32.666
  631   1HG   LYS  26          HG2       LYS  26  -4.062 -25.169  32.360
  632   2HG   LYS  26          HG1       LYS  26  -3.754 -23.852  33.492
  633   1HD   LYS  26          HD2       LYS  26  -4.687 -25.315  35.323
  634   2HD   LYS  26          HD1       LYS  26  -4.734 -26.639  34.158
  635   1HE   LYS  26          HE2       LYS  26  -2.360 -26.612  33.887
  636   2HE   LYS  26          HE1       LYS  26  -2.213 -25.068  34.726
  637   1HZ   LYS  26          HZ1       LYS  26  -3.189 -26.257  36.707
  638   2HZ   LYS  26          HZ2       LYS  26  -1.605 -26.698  36.277
  639   3HZ   LYS  26          HZ3       LYS  26  -2.911 -27.706  35.871
  640    H    LEU  27           HN       LEU  27  -7.974 -22.142  33.639
  641    HA   LEU  27           HA       LEU  27  -9.955 -22.944  31.734
  642   1HB   LEU  27          HB2       LEU  27  -9.977 -21.555  34.380
  643   2HB   LEU  27          HB1       LEU  27 -11.437 -21.617  33.392
  644    HG   LEU  27           HG       LEU  27 -11.217 -24.092  33.265
  645   1HD1  LEU  27          HD11      LEU  27  -9.092 -23.826  35.396
  646   2HD1  LEU  27          HD12      LEU  27  -8.678 -23.957  33.687
  647   3HD1  LEU  27          HD13      LEU  27  -9.553 -25.265  34.484
  648   1HD2  LEU  27          HD21      LEU  27 -11.728 -24.513  35.703
  649   2HD2  LEU  27          HD22      LEU  27 -12.653 -23.190  34.993
  650   3HD2  LEU  27          HD23      LEU  27 -11.268 -22.842  36.029
  651    H    GLY  28           HN       GLY  28  -8.009 -20.214  31.771
  652   1HA   GLY  28          HA2       GLY  28  -8.076 -18.443  30.295
  653   2HA   GLY  28          HA1       GLY  28  -9.643 -18.993  29.757
  654    H    PHE  29           HN       PHE  29  -9.227 -18.301  33.148
  655    HA   PHE  29           HA       PHE  29 -11.007 -15.979  32.800
  656   1HB   PHE  29          HB2       PHE  29 -10.246 -17.687  35.177
  657   2HB   PHE  29          HB1       PHE  29 -11.160 -16.188  35.344
  658    HD1  PHE  29           HD1      PHE  29 -13.190 -15.977  33.602
  659    HD2  PHE  29           HD2      PHE  29 -11.441 -19.654  34.963
  660    HE1  PHE  29           HE1      PHE  29 -15.276 -17.185  33.014
  661    HE2  PHE  29           HE2      PHE  29 -13.522 -20.863  34.377
  662    HZ   PHE  29           HZ       PHE  29 -15.441 -19.629  33.404
  663    H    THR  30           HN       THR  30 -10.479 -13.910  33.605
  664    HA   THR  30           HA       THR  30  -7.636 -13.328  34.103
  665    HB   THR  30           HB       THR  30  -8.305 -10.996  33.934
  666    HG1  THR  30           HG1      THR  30 -10.944 -11.374  33.458
  667   1HG2  THR  30          HG21      THR  30  -8.957 -10.933  31.694
  668   2HG2  THR  30          HG22      THR  30 -10.103 -12.258  31.887
  669   3HG2  THR  30          HG23      THR  30  -8.372 -12.592  31.825
  670    H    GLN  31           HN       GLN  31  -7.290 -11.810  36.138
  671    HA   GLN  31           HA       GLN  31  -8.245 -13.168  38.448
  672   1HB   GLN  31          HB2       GLN  31  -6.182 -12.022  38.542
  673   2HB   GLN  31          HB1       GLN  31  -6.767 -10.693  37.585
  674   1HG   GLN  31          HG2       GLN  31  -7.789  -9.739  39.303
  675   2HG   GLN  31          HG1       GLN  31  -8.007 -11.191  40.159
  676   1HE2  GLN  31          HE21      GLN  31  -6.465  -8.519  40.624
  677   2HE2  GLN  31          HE22      GLN  31  -5.054  -9.069  41.318
  678    H    GLY  32           HN       GLY  32  -9.204 -10.301  36.634
  679   1HA   GLY  32          HA2       GLY  32 -11.125  -9.302  38.459
  680   2HA   GLY  32          HA1       GLY  32 -11.132  -9.011  36.724
  681    H    ASP  33           HN       ASP  33 -11.437 -11.566  35.760
  682    HA   ASP  33           HA       ASP  33 -14.204 -12.033  35.741
  683   1HB   ASP  33          HB2       ASP  33 -11.828 -13.782  35.112
  684   2HB   ASP  33          HB1       ASP  33 -13.477 -14.394  34.960
  685    H    VAL  34           HN       VAL  34 -11.645 -13.714  37.608
  686    HA   VAL  34           HA       VAL  34 -13.412 -15.454  38.956
  687    HB   VAL  34           HB       VAL  34 -10.742 -14.333  39.800
  688   1HG1  VAL  34          HG11      VAL  34 -12.691 -15.993  41.201
  689   2HG1  VAL  34          HG12      VAL  34 -11.207 -15.257  41.808
  690   3HG1  VAL  34          HG13      VAL  34 -11.148 -16.821  40.996
  691   1HG2  VAL  34          HG21      VAL  34 -10.047 -16.683  39.091
  692   2HG2  VAL  34          HG22      VAL  34 -10.545 -15.616  37.778
  693   3HG2  VAL  34          HG23      VAL  34 -11.652 -16.850  38.378
  694    H    GLY  35           HN       GLY  35 -12.201 -12.230  39.903
  695   1HA   GLY  35          HA2       GLY  35 -13.333 -12.244  42.460
  696   2HA   GLY  35          HA1       GLY  35 -12.983 -10.794  41.519
  697    H    LEU  36           HN       LEU  36 -14.650 -11.351  39.316
  698    HA   LEU  36           HA       LEU  36 -17.157 -10.327  40.266
  699   1HB   LEU  36          HB2       LEU  36 -16.265 -11.422  37.591
  700   2HB   LEU  36          HB1       LEU  36 -17.880 -10.769  37.866
  701    HG   LEU  36           HG       LEU  36 -15.355  -9.223  38.494
  702   1HD1  LEU  36          HD11      LEU  36 -15.402  -9.702  36.090
  703   2HD1  LEU  36          HD12      LEU  36 -15.805  -8.008  36.370
  704   3HD1  LEU  36          HD13      LEU  36 -17.080  -9.168  35.998
  705   1HD2  LEU  36          HD21      LEU  36 -18.308  -8.622  38.371
  706   2HD2  LEU  36          HD22      LEU  36 -17.120  -7.334  38.171
  707   3HD2  LEU  36          HD23      LEU  36 -17.165  -8.268  39.665
  708    H    ALA  37           HN       ALA  37 -16.128 -13.534  39.094
  709    HA   ALA  37           HA       ALA  37 -18.645 -14.839  39.149
  710   1HB   ALA  37          HB1       ALA  37 -15.902 -16.025  39.627
  711   2HB   ALA  37          HB2       ALA  37 -16.637 -15.754  38.047
  712   3HB   ALA  37          HB3       ALA  37 -17.351 -16.917  39.162
  713    H    MET  38           HN       MET  38 -16.263 -14.315  41.684
  714    HA   MET  38           HA       MET  38 -17.300 -16.045  43.631
  715   1HB   MET  38          HB2       MET  38 -15.790 -13.429  43.845
  716   2HB   MET  38          HB1       MET  38 -16.146 -14.470  45.224
  717   1HG   MET  38          HG2       MET  38 -14.611 -15.326  42.753
  718   2HG   MET  38          HG1       MET  38 -13.881 -14.901  44.301
  719   1HE   MET  38          HE1       MET  38 -16.209 -16.538  46.454
  720   2HE   MET  38          HE2       MET  38 -14.687 -15.656  46.372
  721   3HE   MET  38          HE3       MET  38 -14.680 -17.374  46.757
  722    H    GLY  39           HN       GLY  39 -18.186 -12.723  42.665
  723   1HA   GLY  39          HA2       GLY  39 -20.012 -12.455  44.893
  724   2HA   GLY  39          HA1       GLY  39 -19.924 -11.385  43.492
  725    H    LYS  40           HN       LYS  40 -20.330 -13.192  41.381
  726    HA   LYS  40           HA       LYS  40 -23.162 -13.396  41.424
  727   1HB   LYS  40          HB2       LYS  40 -21.218 -14.781  39.576
  728   2HB   LYS  40          HB1       LYS  40 -22.937 -14.527  39.277
  729   1HG   LYS  40          HG2       LYS  40 -22.515 -12.043  39.541
  730   2HG   LYS  40          HG1       LYS  40 -20.789 -12.411  39.548
  731   1HD   LYS  40          HD2       LYS  40 -21.319 -11.887  37.280
  732   2HD   LYS  40          HD1       LYS  40 -21.190 -13.644  37.342
  733   1HE   LYS  40          HE2       LYS  40 -23.191 -13.182  36.120
  734   2HE   LYS  40          HE1       LYS  40 -23.713 -13.684  37.727
  735   1HZ   LYS  40          HZ1       LYS  40 -24.349 -11.587  38.283
  736   2HZ   LYS  40          HZ2       LYS  40 -24.637 -11.517  36.610
  737   3HZ   LYS  40          HZ3       LYS  40 -23.222 -10.836  37.263
  738    H    LEU  41           HN       LEU  41 -20.702 -15.909  41.864
  739    HA   LEU  41           HA       LEU  41 -22.785 -17.916  42.056
  740   1HB   LEU  41          HB2       LEU  41 -19.800 -18.221  42.281
  741   2HB   LEU  41          HB1       LEU  41 -20.981 -19.515  42.068
  742    HG   LEU  41           HG       LEU  41 -20.470 -17.246  40.123
  743   1HD1  LEU  41          HD11      LEU  41 -19.904 -20.222  39.941
  744   2HD1  LEU  41          HD12      LEU  41 -18.690 -18.962  40.165
  745   3HD1  LEU  41          HD13      LEU  41 -19.614 -19.040  38.665
  746   1HD2  LEU  41          HD21      LEU  41 -22.476 -19.498  40.219
  747   2HD2  LEU  41          HD22      LEU  41 -21.973 -18.798  38.680
  748   3HD2  LEU  41          HD23      LEU  41 -22.759 -17.787  39.894
  749    H    TYR  42           HN       TYR  42 -20.530 -16.373  44.281
  750    HA   TYR  42           HA       TYR  42 -21.664 -18.129  46.333
  751   1HB   TYR  42          HB2       TYR  42 -18.933 -16.878  46.308
  752   2HB   TYR  42          HB1       TYR  42 -19.555 -18.044  47.483
  753    HD1  TYR  42           HD1      TYR  42 -20.714 -20.207  46.285
  754    HD2  TYR  42           HD2      TYR  42 -17.599 -17.768  44.598
  755    HE1  TYR  42           HE1      TYR  42 -20.066 -22.067  44.774
  756    HE2  TYR  42           HE2      TYR  42 -16.956 -19.632  43.091
  757    HH   TYR  42           HH       TYR  42 -18.863 -22.205  42.433
  758    H    GLY  43           HN       GLY  43 -21.947 -15.015  45.435
  759   1HA   GLY  43          HA2       GLY  43 -23.104 -13.422  46.609
  760   2HA   GLY  43          HA1       GLY  43 -22.992 -14.433  48.024
  761    H    ASN  44           HN       ASN  44 -19.916 -13.748  46.752
  762    HA   ASN  44           HA       ASN  44 -19.661 -11.259  48.320
  763   1HB   ASN  44          HB2       ASN  44 -17.464 -12.421  49.248
  764   2HB   ASN  44          HB1       ASN  44 -19.010 -12.654  50.067
  765   1HD2  ASN  44          HD21      ASN  44 -16.957 -14.165  47.523
  766   2HD2  ASN  44          HD22      ASN  44 -17.444 -15.754  47.869
  767    H    ASP  45           HN       ASP  45 -19.211 -10.210  46.308
  768    HA   ASP  45           HA       ASP  45 -17.272 -11.370  44.524
  769   1HB   ASP  45          HB2       ASP  45 -17.446  -9.314  43.262
  770   2HB   ASP  45          HB1       ASP  45 -19.053  -9.618  43.883
  771    H    PHE  46           HN       PHE  46 -15.198 -10.557  44.033
  772    HA   PHE  46           HA       PHE  46 -13.859  -8.982  46.134
  773   1HB   PHE  46          HB2       PHE  46 -12.865 -11.497  44.781
  774   2HB   PHE  46          HB1       PHE  46 -11.837 -10.415  45.720
  775    HD1  PHE  46           HD1      PHE  46 -12.190 -10.119  48.149
  776    HD2  PHE  46           HD2      PHE  46 -14.508 -12.928  45.854
  777    HE1  PHE  46           HE1      PHE  46 -12.933 -11.219  50.250
  778    HE2  PHE  46           HE2      PHE  46 -15.249 -14.028  47.957
  779    HZ   PHE  46           HZ       PHE  46 -14.465 -13.174  50.153
  780    H    SER  47           HN       SER  47 -12.080  -7.688  45.356
  781    HA   SER  47           HA       SER  47 -12.485  -6.852  42.626
  782   1HB   SER  47          HB2       SER  47 -10.885  -5.105  43.158
  783   2HB   SER  47          HB1       SER  47 -12.060  -5.251  44.461
  784    HG   SER  47           HG       SER  47 -10.051  -5.204  45.391
  785    H    GLN  48           HN       GLN  48 -10.663  -6.506  41.155
  786    HA   GLN  48           HA       GLN  48  -9.147  -8.868  40.587
  787   1HB   GLN  48          HB2       GLN  48  -9.559  -7.247  38.795
  788   2HB   GLN  48          HB1       GLN  48  -8.870  -5.935  39.731
  789   1HG   GLN  48          HG2       GLN  48  -7.026  -8.171  39.079
  790   2HG   GLN  48          HG1       GLN  48  -7.527  -7.207  37.740
  791   1HE2  GLN  48          HE21      GLN  48  -4.842  -7.357  38.626
  792   2HE2  GLN  48          HE22      GLN  48  -4.389  -5.842  39.245
  793    H    THR  49           HN       THR  49  -8.435  -5.858  42.338
  794    HA   THR  49           HA       THR  49  -5.681  -6.216  42.830
  795    HB   THR  49           HB       THR  49  -7.799  -4.984  44.608
  796    HG1  THR  49           HG1      THR  49  -7.283  -4.201  42.372
  797   1HG2  THR  49          HG21      THR  49  -4.797  -4.995  44.720
  798   2HG2  THR  49          HG22      THR  49  -5.936  -5.344  46.014
  799   3HG2  THR  49          HG23      THR  49  -5.732  -3.688  45.440
  800    H    THR  50           HN       THR  50  -8.417  -7.388  44.794
  801    HA   THR  50           HA       THR  50  -6.778  -8.552  46.816
  802    HB   THR  50           HB       THR  50  -9.561  -9.436  46.024
  803    HG1  THR  50           HG1      THR  50  -9.743  -7.770  47.967
  804   1HG2  THR  50          HG21      THR  50  -9.577 -10.599  47.988
  805   2HG2  THR  50          HG22      THR  50  -8.856  -9.255  48.868
  806   3HG2  THR  50          HG23      THR  50  -7.825 -10.396  48.006
  807    H    ILE  51           HN       ILE  51  -8.211  -9.873  43.842
  808    HA   ILE  51           HA       ILE  51  -7.445 -12.600  44.302
  809    HB   ILE  51           HB       ILE  51  -7.810 -11.106  41.680
  810   1HG1  ILE  51          HG12      ILE  51  -9.834 -11.025  43.026
  811   2HG1  ILE  51          HG11      ILE  51 -10.066 -12.216  41.744
  812   1HG2  ILE  51          HG21      ILE  51  -7.550 -14.035  42.375
  813   2HG2  ILE  51          HG22      ILE  51  -6.637 -13.112  41.182
  814   3HG2  ILE  51          HG23      ILE  51  -8.332 -13.498  40.888
  815   1HD1  ILE  51          HD11      ILE  51  -9.167 -13.926  43.495
  816   2HD1  ILE  51          HD12      ILE  51 -10.828 -13.354  43.652
  817   3HD1  ILE  51          HD13      ILE  51  -9.562 -12.677  44.676
  818    H    SER  52           HN       SER  52  -5.827  -9.848  42.631
  819    HA   SER  52           HA       SER  52  -3.461 -11.188  41.806
  820   1HB   SER  52          HB2       SER  52  -4.149  -8.325  42.374
  821   2HB   SER  52          HB1       SER  52  -2.449  -8.744  42.269
  822    HG   SER  52           HG       SER  52  -2.684  -8.815  40.197
  823    H    ARG  53           HN       ARG  53  -4.177  -9.418  44.900
  824    HA   ARG  53           HA       ARG  53  -1.594  -9.820  46.018
  825   1HB   ARG  53          HB2       ARG  53  -4.315  -9.324  47.252
  826   2HB   ARG  53          HB1       ARG  53  -2.822  -9.312  48.158
  827   1HG   ARG  53          HG2       ARG  53  -1.925  -7.499  46.836
  828   2HG   ARG  53          HG1       ARG  53  -3.344  -7.535  45.791
  829   1HD   ARG  53          HD2       ARG  53  -4.783  -6.977  47.718
  830   2HD   ARG  53          HD1       ARG  53  -3.363  -6.934  48.762
  831    HE   ARG  53           HE       ARG  53  -2.742  -5.130  46.771
  832   1HH1  ARG  53          HH21      ARG  53  -5.430  -5.642  48.884
  833   2HH1  ARG  53          HH22      ARG  53  -5.821  -3.959  49.001
  834   1HH2  ARG  53          HH11      ARG  53  -3.242  -2.942  46.918
  835   2HH2  ARG  53          HH12      ARG  53  -4.583  -2.431  47.888
  836    H    PHE  54           HN       PHE  54  -4.594 -11.700  46.245
  837    HA   PHE  54           HA       PHE  54  -3.674 -13.567  48.129
  838   1HB   PHE  54          HB2       PHE  54  -6.031 -13.356  47.371
  839   2HB   PHE  54          HB1       PHE  54  -5.567 -14.034  45.811
  840    HD1  PHE  54           HD1      PHE  54  -4.940 -16.382  45.588
  841    HD2  PHE  54           HD2      PHE  54  -6.052 -14.733  49.395
  842    HE1  PHE  54           HE1      PHE  54  -5.175 -18.672  46.511
  843    HE2  PHE  54           HE2      PHE  54  -6.286 -17.022  50.318
  844    HZ   PHE  54           HZ       PHE  54  -5.848 -18.992  48.876
  845    H    GLU  55           HN       GLU  55  -3.576 -13.731  44.528
  846    HA   GLU  55           HA       GLU  55  -2.325 -16.238  44.321
  847   1HB   GLU  55          HB2       GLU  55  -2.422 -13.873  42.460
  848   2HB   GLU  55          HB1       GLU  55  -1.693 -15.415  42.010
  849   1HG   GLU  55          HG2       GLU  55  -3.887 -16.513  42.698
  850   2HG   GLU  55          HG1       GLU  55  -4.569 -14.888  42.783
  851    H    ALA  56           HN       ALA  56  -0.949 -13.145  44.977
  852    HA   ALA  56           HA       ALA  56   1.790 -14.116  44.506
  853   1HB   ALA  56          HB1       ALA  56   1.426 -11.981  43.556
  854   2HB   ALA  56          HB2       ALA  56   2.359 -11.689  45.023
  855   3HB   ALA  56          HB3       ALA  56   0.621 -11.387  45.008
  856    H    LEU  57           HN       LEU  57  -0.325 -14.133  46.981
  857    HA   LEU  57           HA       LEU  57  -0.354 -14.257  49.239
  858   1HB   LEU  57          HB2       LEU  57   2.510 -15.005  48.651
  859   2HB   LEU  57          HB1       LEU  57   1.916 -14.887  50.308
  860    HG   LEU  57           HG       LEU  57  -0.067 -16.362  49.114
  861   1HD1  LEU  57          HD11      LEU  57   2.592 -17.195  47.916
  862   2HD1  LEU  57          HD12      LEU  57   1.212 -16.556  47.025
  863   3HD1  LEU  57          HD13      LEU  57   1.098 -18.127  47.817
  864   1HD2  LEU  57          HD21      LEU  57   0.945 -16.883  51.262
  865   2HD2  LEU  57          HD22      LEU  57   2.473 -17.294  50.485
  866   3HD2  LEU  57          HD23      LEU  57   1.057 -18.313  50.235
  867    H    ASN  58           HN       ASN  58   0.084 -11.685  47.879
  868    HA   ASN  58           HA       ASN  58   1.876 -10.134  49.659
  869   1HB   ASN  58          HB2       ASN  58  -0.016  -9.257  47.474
  870   2HB   ASN  58          HB1       ASN  58   1.009  -8.168  48.393
  871   1HD2  ASN  58          HD21      ASN  58   1.135  -8.851  45.452
  872   2HD2  ASN  58          HD22      ASN  58   2.713  -9.425  45.199
  873    H    LEU  59           HN       LEU  59   0.085 -11.450  51.202
  874    HA   LEU  59           HA       LEU  59  -1.490  -9.336  52.406
  875   1HB   LEU  59          HB2       LEU  59  -2.580 -12.060  51.602
  876   2HB   LEU  59          HB1       LEU  59  -3.398 -10.940  52.693
  877    HG   LEU  59           HG       LEU  59  -2.614 -10.296  49.835
  878   1HD1  LEU  59          HD11      LEU  59  -4.410 -11.998  49.971
  879   2HD1  LEU  59          HD12      LEU  59  -5.024 -10.461  49.362
  880   3HD1  LEU  59          HD13      LEU  59  -5.328 -10.932  51.035
  881   1HD2  LEU  59          HD21      LEU  59  -4.075  -8.811  52.025
  882   2HD2  LEU  59          HD22      LEU  59  -4.294  -8.395  50.324
  883   3HD2  LEU  59          HD23      LEU  59  -2.699  -8.266  51.065
  884    H    SER  60           HN       SER  60  -2.070 -10.122  54.648
  885    HA   SER  60           HA       SER  60   0.199 -11.406  55.871
  886   1HB   SER  60          HB2       SER  60  -0.965 -11.050  57.946
  887   2HB   SER  60          HB1       SER  60  -1.262  -9.628  56.945
  888    HG   SER  60           HG       SER  60  -3.186 -11.010  56.245
  889    H    PHE  61           HN       PHE  61  -0.029 -13.382  57.240
  890    HA   PHE  61           HA       PHE  61  -1.189 -15.565  55.797
  891   1HB   PHE  61          HB2       PHE  61   0.690 -15.997  57.257
  892   2HB   PHE  61          HB1       PHE  61  -0.147 -15.287  58.636
  893    HD1  PHE  61           HD1      PHE  61  -0.320 -18.082  56.173
  894    HD2  PHE  61           HD2      PHE  61  -1.545 -16.590  60.008
  895    HE1  PHE  61           HE1      PHE  61  -1.302 -20.294  56.719
  896    HE2  PHE  61           HE2      PHE  61  -2.527 -18.800  60.556
  897    HZ   PHE  61           HZ       PHE  61  -2.403 -20.653  58.912
  898    H    LYS  62           HN       LYS  62  -2.242 -13.515  58.518
  899    HA   LYS  62           HA       LYS  62  -4.514 -14.953  59.285
  900   1HB   LYS  62          HB2       LYS  62  -3.530 -12.998  60.487
  901   2HB   LYS  62          HB1       LYS  62  -4.183 -11.950  59.228
  902   1HG   LYS  62          HG2       LYS  62  -6.455 -12.691  59.738
  903   2HG   LYS  62          HG1       LYS  62  -5.839 -13.838  60.923
  904   1HD   LYS  62          HD2       LYS  62  -6.508 -11.989  62.232
  905   2HD   LYS  62          HD1       LYS  62  -4.764 -11.792  62.080
  906   1HE   LYS  62          HE2       LYS  62  -5.017 -10.112  60.382
  907   2HE   LYS  62          HE1       LYS  62  -6.738 -10.458  60.212
  908   1HZ   LYS  62          HZ1       LYS  62  -6.284  -9.899  62.888
  909   2HZ   LYS  62          HZ2       LYS  62  -7.128  -8.955  61.757
  910   3HZ   LYS  62          HZ3       LYS  62  -5.467  -8.702  62.007
  911    H    ASN  63           HN       ASN  63  -4.174 -12.427  56.765
  912    HA   ASN  63           HA       ASN  63  -6.981 -12.434  56.082
  913   1HB   ASN  63          HB2       ASN  63  -5.369 -10.537  55.722
  914   2HB   ASN  63          HB1       ASN  63  -4.712 -11.456  54.379
  915   1HD2  ASN  63          HD21      ASN  63  -5.494  -9.995  52.722
  916   2HD2  ASN  63          HD22      ASN  63  -7.149  -9.825  52.385
  917    H    MET  64           HN       MET  64  -4.098 -13.963  54.626
  918    HA   MET  64           HA       MET  64  -5.279 -15.091  52.330
  919   1HB   MET  64          HB2       MET  64  -3.002 -16.012  54.099
  920   2HB   MET  64          HB1       MET  64  -3.437 -16.822  52.593
  921   1HG   MET  64          HG2       MET  64  -2.733 -13.881  52.822
  922   2HG   MET  64          HG1       MET  64  -1.616 -15.140  52.291
  923   1HE   MET  64          HE1       MET  64  -1.839 -16.607  50.685
  924   2HE   MET  64          HE2       MET  64  -2.229 -16.116  49.038
  925   3HE   MET  64          HE3       MET  64  -3.410 -17.019  49.982
  926    H    ALA  65           HN       ALA  65  -5.144 -16.195  55.692
  927    HA   ALA  65           HA       ALA  65  -6.176 -18.792  55.285
  928   1HB   ALA  65          HB1       ALA  65  -6.581 -18.761  57.709
  929   2HB   ALA  65          HB2       ALA  65  -6.299 -17.021  57.735
  930   3HB   ALA  65          HB3       ALA  65  -4.983 -18.120  57.323
  931    H    LYS  66           HN       LYS  66  -7.748 -15.669  55.897
  932    HA   LYS  66           HA       LYS  66 -10.392 -16.698  56.286
  933   1HB   LYS  66          HB2       LYS  66  -9.666 -14.401  56.959
  934   2HB   LYS  66          HB1       LYS  66  -9.525 -13.979  55.253
  935   1HG   LYS  66          HG2       LYS  66 -11.911 -14.474  54.918
  936   2HG   LYS  66          HG1       LYS  66 -12.063 -14.928  56.616
  937   1HD   LYS  66          HD2       LYS  66 -11.381 -12.643  57.280
  938   2HD   LYS  66          HD1       LYS  66 -11.271 -12.190  55.579
  939   1HE   LYS  66          HE2       LYS  66 -13.658 -12.684  55.273
  940   2HE   LYS  66          HE1       LYS  66 -13.781 -13.186  56.959
  941   1HZ   LYS  66          HZ1       LYS  66 -12.691 -10.774  57.230
  942   2HZ   LYS  66          HZ2       LYS  66 -14.367 -11.051  57.249
  943   3HZ   LYS  66          HZ3       LYS  66 -13.607 -10.521  55.825
  944    H    LEU  67           HN       LEU  67  -8.687 -15.290  53.479
  945    HA   LEU  67           HA       LEU  67 -10.798 -15.620  51.660
  946   1HB   LEU  67          HB2       LEU  67  -7.852 -15.212  51.284
  947   2HB   LEU  67          HB1       LEU  67  -9.013 -15.195  49.959
  948    HG   LEU  67           HG       LEU  67  -9.310 -13.430  52.408
  949   1HD1  LEU  67          HD11      LEU  67  -7.706 -13.048  49.889
  950   2HD1  LEU  67          HD12      LEU  67  -7.315 -12.584  51.544
  951   3HD1  LEU  67          HD13      LEU  67  -8.489 -11.648  50.624
  952   1HD2  LEU  67          HD21      LEU  67 -10.377 -12.832  49.643
  953   2HD2  LEU  67          HD22      LEU  67 -10.975 -12.289  51.207
  954   3HD2  LEU  67          HD23      LEU  67 -11.268 -13.929  50.679
  955    H    LYS  68           HN       LYS  68  -8.207 -17.945  52.406
  956    HA   LYS  68           HA       LYS  68  -8.225 -19.312  50.002
  957   1HB   LYS  68          HB2       LYS  68  -6.594 -19.704  51.781
  958   2HB   LYS  68          HB1       LYS  68  -7.841 -20.473  52.764
  959   1HG   LYS  68          HG2       LYS  68  -8.131 -22.233  51.114
  960   2HG   LYS  68          HG1       LYS  68  -7.021 -21.426  50.005
  961   1HD   LYS  68          HD2       LYS  68  -5.144 -21.862  51.384
  962   2HD   LYS  68          HD1       LYS  68  -6.153 -22.246  52.778
  963   1HE   LYS  68          HE2       LYS  68  -6.289 -23.883  50.247
  964   2HE   LYS  68          HE1       LYS  68  -5.096 -24.226  51.501
  965   1HZ   LYS  68          HZ1       LYS  68  -6.641 -25.206  52.726
  966   2HZ   LYS  68          HZ2       LYS  68  -7.734 -25.040  51.435
  967   3HZ   LYS  68          HZ3       LYS  68  -7.657 -23.849  52.646
  968    HA   PRO  69           HA       PRO  69 -11.604 -22.327  51.870
  969   1HB   PRO  69          HB2       PRO  69 -13.140 -20.345  53.462
  970   2HB   PRO  69          HB1       PRO  69 -12.757 -22.034  53.839
  971   1HG   PRO  69          HG2       PRO  69 -11.554 -19.975  55.067
  972   2HG   PRO  69          HG1       PRO  69 -10.732 -21.512  54.750
  973   1HD   PRO  69          HD2       PRO  69 -10.393 -18.884  53.383
  974   2HD   PRO  69          HD1       PRO  69  -9.218 -20.198  53.618
  975    H    LEU  70           HN       LEU  70 -12.352 -18.843  51.479
  976    HA   LEU  70           HA       LEU  70 -14.824 -19.234  50.123
  977   1HB   LEU  70          HB2       LEU  70 -12.905 -16.896  50.134
  978   2HB   LEU  70          HB1       LEU  70 -14.520 -16.854  49.426
  979    HG   LEU  70           HG       LEU  70 -14.865 -16.009  51.596
  980   1HD1  LEU  70          HD11      LEU  70 -15.270 -18.971  52.049
  981   2HD1  LEU  70          HD12      LEU  70 -16.292 -18.040  50.951
  982   3HD1  LEU  70          HD13      LEU  70 -16.241 -17.634  52.667
  983   1HD2  LEU  70          HD21      LEU  70 -13.695 -16.660  53.520
  984   2HD2  LEU  70          HD22      LEU  70 -12.478 -16.867  52.261
  985   3HD2  LEU  70          HD23      LEU  70 -13.350 -18.268  52.883
  986    H    LEU  71           HN       LEU  71 -11.515 -18.606  48.890
  987    HA   LEU  71           HA       LEU  71 -12.341 -18.612  46.164
  988   1HB   LEU  71          HB2       LEU  71  -9.668 -18.934  47.525
  989   2HB   LEU  71          HB1       LEU  71  -9.846 -18.976  45.771
  990    HG   LEU  71           HG       LEU  71 -10.692 -16.698  47.586
  991   1HD1  LEU  71          HD11      LEU  71  -8.264 -16.827  47.294
  992   2HD1  LEU  71          HD12      LEU  71  -8.902 -15.468  46.368
  993   3HD1  LEU  71          HD13      LEU  71  -8.461 -16.965  45.548
  994   1HD2  LEU  71          HD21      LEU  71 -11.072 -17.287  44.662
  995   2HD2  LEU  71          HD22      LEU  71 -10.884 -15.615  45.191
  996   3HD2  LEU  71          HD23      LEU  71 -12.213 -16.593  45.814
  997    H    GLU  72           HN       GLU  72 -11.710 -21.094  48.473
  998    HA   GLU  72           HA       GLU  72 -10.951 -23.086  46.583
  999   1HB   GLU  72          HB2       GLU  72 -10.644 -23.115  49.134
 1000   2HB   GLU  72          HB1       GLU  72 -12.336 -23.611  49.210
 1001   1HG   GLU  72          HG2       GLU  72 -11.923 -25.632  48.073
 1002   2HG   GLU  72          HG1       GLU  72 -10.390 -25.054  47.419
 1003    H    LYS  73           HN       LYS  73 -14.106 -21.868  47.745
 1004    HA   LYS  73           HA       LYS  73 -15.641 -24.054  46.719
 1005   1HB   LYS  73          HB2       LYS  73 -16.271 -21.139  47.245
 1006   2HB   LYS  73          HB1       LYS  73 -17.471 -22.247  46.581
 1007   1HG   LYS  73          HG2       LYS  73 -16.959 -23.776  48.562
 1008   2HG   LYS  73          HG1       LYS  73 -16.076 -22.416  49.257
 1009   1HD   LYS  73          HD2       LYS  73 -18.151 -21.022  49.006
 1010   2HD   LYS  73          HD1       LYS  73 -19.010 -22.476  48.500
 1011   1HE   LYS  73          HE2       LYS  73 -18.621 -23.541  50.623
 1012   2HE   LYS  73          HE1       LYS  73 -17.512 -22.265  51.122
 1013   1HZ   LYS  73          HZ1       LYS  73 -19.941 -22.209  51.936
 1014   2HZ   LYS  73          HZ2       LYS  73 -20.286 -21.607  50.386
 1015   3HZ   LYS  73          HZ3       LYS  73 -19.220 -20.768  51.408
 1016    H    TRP  74           HN       TRP  74 -14.403 -20.983  45.342
 1017    HA   TRP  74           HA       TRP  74 -15.711 -21.232  42.864
 1018   1HB   TRP  74          HB2       TRP  74 -14.667 -19.152  43.577
 1019   2HB   TRP  74          HB1       TRP  74 -13.073 -19.908  43.513
 1020    HD1  TRP  74           HD1      TRP  74 -15.921 -18.703  41.256
 1021    HE1  TRP  74           HE1      TRP  74 -15.033 -18.483  38.844
 1022    HE3  TRP  74           HE3      TRP  74 -11.267 -20.726  41.837
 1023    HZ2  TRP  74           HZ2      TRP  74 -12.665 -19.084  37.359
 1024    HZ3  TRP  74           HZ3      TRP  74  -9.718 -20.890  39.909
 1025    HH2  TRP  74           HH2      TRP  74 -10.410 -20.073  37.673
 1026    H    LEU  75           HN       LEU  75 -12.483 -22.228  43.873
 1027    HA   LEU  75           HA       LEU  75 -11.530 -23.177  41.438
 1028   1HB   LEU  75          HB2       LEU  75 -10.240 -22.832  43.589
 1029   2HB   LEU  75          HB1       LEU  75 -10.903 -24.370  44.143
 1030    HG   LEU  75           HG       LEU  75  -9.944 -25.479  42.136
 1031   1HD1  LEU  75          HD11      LEU  75  -8.192 -24.114  40.881
 1032   2HD1  LEU  75          HD12      LEU  75  -8.898 -22.684  41.631
 1033   3HD1  LEU  75          HD13      LEU  75  -9.870 -23.684  40.553
 1034   1HD2  LEU  75          HD21      LEU  75  -8.678 -25.335  44.290
 1035   2HD2  LEU  75          HD22      LEU  75  -7.897 -23.869  43.695
 1036   3HD2  LEU  75          HD23      LEU  75  -7.619 -25.409  42.882
 1037    H    ASN  76           HN       ASN  76 -13.117 -25.020  44.059
 1038    HA   ASN  76           HA       ASN  76 -13.136 -27.531  42.860
 1039   1HB   ASN  76          HB2       ASN  76 -15.143 -26.194  44.689
 1040   2HB   ASN  76          HB1       ASN  76 -15.225 -27.898  44.243
 1041   1HD2  ASN  76          HD21      ASN  76 -14.782 -27.016  46.965
 1042   2HD2  ASN  76          HD22      ASN  76 -13.224 -27.513  47.421
 1043    H    ASP  77           HN       ASP  77 -15.778 -25.107  42.781
 1044    HA   ASP  77           HA       ASP  77 -17.433 -26.455  40.984
 1045   1HB   ASP  77          HB2       ASP  77 -18.000 -24.540  42.513
 1046   2HB   ASP  77          HB1       ASP  77 -17.285 -23.468  41.306
 1047    H    ALA  78           HN       ALA  78 -14.837 -24.128  40.212
 1048    HA   ALA  78           HA       ALA  78 -15.593 -23.654  37.532
 1049   1HB   ALA  78          HB1       ALA  78 -13.808 -22.471  38.994
 1050   2HB   ALA  78          HB2       ALA  78 -13.470 -22.675  37.275
 1051   3HB   ALA  78          HB3       ALA  78 -12.727 -23.757  38.452
 1052    H    GLU  79           HN       GLU  79 -14.276 -26.384  39.093
 1053    HA   GLU  79           HA       GLU  79 -13.099 -27.643  36.746
 1054   1HB   GLU  79          HB2       GLU  79 -13.657 -29.123  39.281
 1055   2HB   GLU  79          HB1       GLU  79 -12.258 -29.215  38.211
 1056   1HG   GLU  79          HG2       GLU  79 -12.890 -26.768  39.874
 1057   2HG   GLU  79          HG1       GLU  79 -11.843 -28.067  40.442
 1058    H    SER 110           HN       SER 110 -18.700   6.837  47.008
 1059    HA   SER 110           HA       SER 110 -15.977   7.290  48.054
 1060   1HB   SER 110          HB2       SER 110 -15.928   6.289  45.888
 1061   2HB   SER 110          HB1       SER 110 -17.196   7.353  45.288
 1062    HG   SER 110           HG       SER 110 -14.486   7.786  45.593
 1063    H    ILE 111           HN       ILE 111 -15.503   9.241  48.820
 1064    HA   ILE 111           HA       ILE 111 -17.360  11.417  48.787
 1065    HB   ILE 111           HB       ILE 111 -14.580  11.226  49.951
 1066   1HG1  ILE 111          HG12      ILE 111 -17.359  10.963  51.149
 1067   2HG1  ILE 111          HG11      ILE 111 -16.208   9.652  50.914
 1068   1HG2  ILE 111          HG21      ILE 111 -15.442  13.600  49.490
 1069   2HG2  ILE 111          HG22      ILE 111 -15.085  13.246  51.163
 1070   3HG2  ILE 111          HG23      ILE 111 -16.753  13.242  50.602
 1071   1HD1  ILE 111          HD11      ILE 111 -15.657  10.125  53.100
 1072   2HD1  ILE 111          HD12      ILE 111 -16.250  11.780  52.999
 1073   3HD1  ILE 111          HD13      ILE 111 -14.658  11.378  52.369
 1074    H    GLU 112           HN       GLU 112 -17.359  13.277  47.747
 1075    HA   GLU 112           HA       GLU 112 -15.916  13.640  45.353
 1076   1HB   GLU 112          HB2       GLU 112 -18.214  14.571  46.151
 1077   2HB   GLU 112          HB1       GLU 112 -17.246  15.901  46.790
 1078   1HG   GLU 112          HG2       GLU 112 -18.121  16.203  44.407
 1079   2HG   GLU 112          HG1       GLU 112 -16.389  16.445  44.632
 1080    H    THR 113           HN       THR 113 -14.357  15.098  44.753
 1081    HA   THR 113           HA       THR 113 -12.169  15.463  46.390
 1082    HB   THR 113           HB       THR 113 -12.899  17.155  44.007
 1083    HG1  THR 113           HG1      THR 113 -13.004  14.770  43.826
 1084   1HG2  THR 113          HG21      THR 113 -10.962  18.045  45.063
 1085   2HG2  THR 113          HG22      THR 113 -10.354  17.037  43.751
 1086   3HG2  THR 113          HG23      THR 113 -10.322  16.439  45.410
 1087    H    ASN 114           HN       ASN 114 -14.721  17.837  45.706
 1088    HA   ASN 114           HA       ASN 114 -13.431  19.962  47.117
 1089   1HB   ASN 114          HB2       ASN 114 -15.843  20.903  47.039
 1090   2HB   ASN 114          HB1       ASN 114 -14.984  20.664  45.516
 1091   1HD2  ASN 114          HD21      ASN 114 -17.835  19.846  47.242
 1092   2HD2  ASN 114          HD22      ASN 114 -18.391  18.629  46.197
 1093    H    ILE 115           HN       ILE 115 -15.866  17.533  47.987
 1094    HA   ILE 115           HA       ILE 115 -16.602  18.608  50.500
 1095    HB   ILE 115           HB       ILE 115 -16.466  15.669  49.783
 1096   1HG1  ILE 115          HG12      ILE 115 -18.656  17.675  49.148
 1097   2HG1  ILE 115          HG11      ILE 115 -17.554  16.972  47.963
 1098   1HG2  ILE 115          HG21      ILE 115 -17.364  15.522  51.852
 1099   2HG2  ILE 115          HG22      ILE 115 -18.808  16.271  51.171
 1100   3HG2  ILE 115          HG23      ILE 115 -17.584  17.268  51.955
 1101   1HD1  ILE 115          HD11      ILE 115 -18.372  14.687  48.759
 1102   2HD1  ILE 115          HD12      ILE 115 -19.542  15.652  47.859
 1103   3HD1  ILE 115          HD13      ILE 115 -19.649  15.550  49.616
 1104    H    ARG 116           HN       ARG 116 -14.008  16.453  49.449
 1105    HA   ARG 116           HA       ARG 116 -12.967  15.631  51.908
 1106   1HB   ARG 116          HB2       ARG 116 -11.642  16.161  49.251
 1107   2HB   ARG 116          HB1       ARG 116 -10.766  15.512  50.637
 1108   1HG   ARG 116          HG2       ARG 116 -12.341  13.627  50.768
 1109   2HG   ARG 116          HG1       ARG 116 -13.235  14.274  49.400
 1110   1HD   ARG 116          HD2       ARG 116 -11.231  14.051  47.976
 1111   2HD   ARG 116          HD1       ARG 116 -10.337  13.403  49.348
 1112    HE   ARG 116           HE       ARG 116 -12.558  11.746  49.136
 1113   1HH1  ARG 116          HH21      ARG 116 -10.043  12.866  47.067
 1114   2HH1  ARG 116          HH22      ARG 116 -10.014  11.429  46.100
 1115   1HH2  ARG 116          HH11      ARG 116 -12.539   9.861  47.886
 1116   2HH2  ARG 116          HH12      ARG 116 -11.428   9.726  46.565
 1117    H    VAL 117           HN       VAL 117 -11.798  18.332  49.880
 1118    HA   VAL 117           HA       VAL 117  -9.935  19.420  51.578
 1119    HB   VAL 117           HB       VAL 117 -10.650  21.644  50.465
 1120   1HG1  VAL 117          HG11      VAL 117  -8.786  20.186  49.711
 1121   2HG1  VAL 117          HG12      VAL 117  -9.625  20.931  48.350
 1122   3HG1  VAL 117          HG13      VAL 117  -9.929  19.242  48.757
 1123   1HG2  VAL 117          HG21      VAL 117 -12.950  21.058  49.943
 1124   2HG2  VAL 117          HG22      VAL 117 -12.426  19.627  49.057
 1125   3HG2  VAL 117          HG23      VAL 117 -12.068  21.234  48.427
 1126    H    ALA 118           HN       ALA 118 -13.410  20.266  51.464
 1127    HA   ALA 118           HA       ALA 118 -13.376  22.186  53.532
 1128   1HB   ALA 118          HB1       ALA 118 -15.804  21.777  53.659
 1129   2HB   ALA 118          HB2       ALA 118 -15.610  20.314  52.694
 1130   3HB   ALA 118          HB3       ALA 118 -15.274  21.892  51.982
 1131    H    LEU 119           HN       LEU 119 -13.959  18.686  53.534
 1132    HA   LEU 119           HA       LEU 119 -14.540  18.364  56.260
 1133   1HB   LEU 119          HB2       LEU 119 -13.256  16.575  54.196
 1134   2HB   LEU 119          HB1       LEU 119 -13.469  16.040  55.865
 1135    HG   LEU 119           HG       LEU 119 -15.726  17.121  54.158
 1136   1HD1  LEU 119          HD11      LEU 119 -14.907  14.257  54.734
 1137   2HD1  LEU 119          HD12      LEU 119 -14.893  15.051  53.159
 1138   3HD1  LEU 119          HD13      LEU 119 -16.425  14.734  53.974
 1139   1HD2  LEU 119          HD21      LEU 119 -15.527  15.760  56.854
 1140   2HD2  LEU 119          HD22      LEU 119 -17.042  15.842  55.955
 1141   3HD2  LEU 119          HD23      LEU 119 -16.247  17.326  56.478
 1142    H    GLU 120           HN       GLU 120 -11.414  18.378  54.524
 1143    HA   GLU 120           HA       GLU 120  -9.754  17.851  56.744
 1144   1HB   GLU 120          HB2       GLU 120  -9.262  19.398  54.191
 1145   2HB   GLU 120          HB1       GLU 120  -7.994  19.016  55.356
 1146   1HG   GLU 120          HG2       GLU 120  -9.773  16.945  54.038
 1147   2HG   GLU 120          HG1       GLU 120  -8.150  17.356  53.484
 1148    H    LYS 121           HN       LYS 121 -10.951  20.886  55.375
 1149    HA   LYS 121           HA       LYS 121  -9.576  22.706  57.005
 1150   1HB   LYS 121          HB1       LYS 121 -11.268  24.296  56.367
 1151   2HB   LYS 121          HB2       LYS 121 -11.035  23.230  54.981
 1152    H    SER 122           HN       SER 122 -12.747  21.133  57.402
 1153    HA   SER 122           HA       SER 122 -13.431  22.234  59.879
 1154   1HB   SER 122          HB2       SER 122 -15.022  20.972  58.524
 1155   2HB   SER 122          HB1       SER 122 -14.075  19.503  58.744
 1156    HG   SER 122           HG       SER 122 -14.964  20.979  60.970
 1157    H    PHE 123           HN       PHE 123 -11.828  19.124  59.175
 1158    HA   PHE 123           HA       PHE 123 -11.414  18.166  61.722
 1159   1HB   PHE 123          HB2       PHE 123 -10.765  17.010  59.606
 1160   2HB   PHE 123          HB1       PHE 123  -9.394  18.111  59.460
 1161    HD1  PHE 123           HD1      PHE 123 -10.972  15.966  62.113
 1162    HD2  PHE 123           HD2      PHE 123  -7.357  17.313  60.226
 1163    HE1  PHE 123           HE1      PHE 123  -9.642  14.512  63.621
 1164    HE2  PHE 123           HE2      PHE 123  -6.028  15.861  61.732
 1165    HZ   PHE 123           HZ       PHE 123  -7.171  14.459  63.430
 1166    H    LEU 124           HN       LEU 124  -9.552  20.569  59.936
 1167    HA   LEU 124           HA       LEU 124  -7.438  21.015  61.727
 1168   1HB   LEU 124          HB2       LEU 124  -8.831  22.781  59.720
 1169   2HB   LEU 124          HB1       LEU 124  -7.449  23.343  60.661
 1170    HG   LEU 124           HG       LEU 124  -7.423  20.821  58.984
 1171   1HD1  LEU 124          HD11      LEU 124  -6.126  23.470  58.313
 1172   2HD1  LEU 124          HD12      LEU 124  -7.714  23.012  57.698
 1173   3HD1  LEU 124          HD13      LEU 124  -6.295  22.053  57.277
 1174   1HD2  LEU 124          HD21      LEU 124  -4.883  21.354  59.241
 1175   2HD2  LEU 124          HD22      LEU 124  -5.730  20.638  60.612
 1176   3HD2  LEU 124          HD23      LEU 124  -5.394  22.369  60.589
 1177    H    GLU 125           HN       GLU 125 -10.628  22.580  61.524
 1178    HA   GLU 125           HA       GLU 125 -10.192  24.373  63.682
 1179   1HB   GLU 125          HB2       GLU 125 -12.743  23.232  62.509
 1180   2HB   GLU 125          HB1       GLU 125 -12.690  24.540  63.694
 1181   1HG   GLU 125          HG2       GLU 125 -11.314  25.887  62.144
 1182   2HG   GLU 125          HG1       GLU 125 -11.390  24.585  60.954
 1183    H    ASN 126           HN       ASN 126 -12.192  21.425  63.537
 1184    HA   ASN 126           HA       ASN 126 -11.514  20.900  66.371
 1185   1HB   ASN 126          HB2       ASN 126 -13.840  21.872  66.024
 1186   2HB   ASN 126          HB1       ASN 126 -14.228  20.401  65.133
 1187   1HD2  ASN 126          HD21      ASN 126 -15.607  20.990  67.543
 1188   2HD2  ASN 126          HD22      ASN 126 -15.138  19.871  68.732
 1189    H    GLN 127           HN       GLN 127 -10.486  19.010  66.493
 1190    HA   GLN 127           HA       GLN 127 -10.428  17.090  64.381
 1191   1HB   GLN 127          HB2       GLN 127  -9.210  17.430  67.055
 1192   2HB   GLN 127          HB1       GLN 127  -9.371  15.767  66.488
 1193   1HG   GLN 127          HG2       GLN 127  -8.367  16.655  64.263
 1194   2HG   GLN 127          HG1       GLN 127  -7.857  18.046  65.223
 1195   1HE2  GLN 127          HE21      GLN 127  -5.631  17.678  65.523
 1196   2HE2  GLN 127          HE22      GLN 127  -4.978  16.251  66.170
 1197    H    LYS 128           HN       LYS 128 -12.211  17.321  67.437
 1198    HA   LYS 128           HA       LYS 128 -13.575  14.803  66.717
 1199   1HB   LYS 128          HB1       LYS 128 -12.652  15.805  69.388
 1200   2HB   LYS 128          HB2       LYS 128 -12.272  14.279  68.585
 1201    HA   PRO 129           HA       PRO 129 -16.884  18.061  67.117
 1202   1HB   PRO 129          HB2       PRO 129 -18.305  17.218  64.907
 1203   2HB   PRO 129          HB1       PRO 129 -17.068  18.487  64.870
 1204   1HG   PRO 129          HG2       PRO 129 -16.888  15.644  64.047
 1205   2HG   PRO 129          HG1       PRO 129 -16.105  17.077  63.358
 1206   1HD   PRO 129          HD2       PRO 129 -14.803  15.283  64.977
 1207   2HD   PRO 129          HD1       PRO 129 -14.345  16.996  64.845
 1208    H    THR 130           HN       THR 130 -18.900  17.696  68.007
 1209    HA   THR 130           HA       THR 130 -19.451  15.065  69.015
 1210    HB   THR 130           HB       THR 130 -21.169  16.114  70.283
 1211    HG1  THR 130           HG1      THR 130 -21.209  17.781  68.104
 1212   1HG2  THR 130          HG21      THR 130 -19.731  17.330  71.519
 1213   2HG2  THR 130          HG22      THR 130 -19.544  18.531  70.240
 1214   3HG2  THR 130          HG23      THR 130 -18.554  17.073  70.234
 1215    H    SER 131           HN       SER 131 -21.705  14.191  68.969
 1216    HA   SER 131           HA       SER 131 -22.427  13.350  66.431
 1217   1HB   SER 131          HB2       SER 131 -23.207  12.451  68.702
 1218   2HB   SER 131          HB1       SER 131 -24.421  13.728  68.671
 1219    HG   SER 131           HG       SER 131 -25.027  12.865  66.576
 1220    H    GLU 132           HN       GLU 132 -23.470  16.170  68.257
 1221    HA   GLU 132           HA       GLU 132 -25.511  17.014  66.442
 1222   1HB   GLU 132          HB1       GLU 132 -23.964  18.508  68.572
 1223   2HB   GLU 132          HB2       GLU 132 -25.540  17.739  68.762
 1224    H    GLU 133           HN       GLU 133 -22.177  18.177  67.093
 1225    HA   GLU 133           HA       GLU 133 -22.011  20.123  65.106
 1226   1HB   GLU 133          HB2       GLU 133 -19.907  18.191  66.099
 1227   2HB   GLU 133          HB1       GLU 133 -19.563  19.583  65.072
 1228   1HG   GLU 133          HG2       GLU 133 -20.617  21.058  66.793
 1229   2HG   GLU 133          HG1       GLU 133 -20.805  19.648  67.837
 1230    H    ILE 134           HN       ILE 134 -21.191  16.716  64.964
 1231    HA   ILE 134           HA       ILE 134 -20.497  16.439  62.311
 1232    HB   ILE 134           HB       ILE 134 -21.777  14.571  64.286
 1233   1HG1  ILE 134          HG12      ILE 134 -19.044  14.551  62.976
 1234   2HG1  ILE 134          HG11      ILE 134 -19.376  15.386  64.495
 1235   1HG2  ILE 134          HG21      ILE 134 -20.979  12.814  62.522
 1236   2HG2  ILE 134          HG22      ILE 134 -21.128  14.146  61.376
 1237   3HG2  ILE 134          HG23      ILE 134 -22.538  13.606  62.288
 1238   1HD1  ILE 134          HD11      ILE 134 -18.474  13.088  64.850
 1239   2HD1  ILE 134          HD12      ILE 134 -19.882  12.437  64.009
 1240   3HD1  ILE 134          HD13      ILE 134 -20.085  13.297  65.535
 1241    H    THR 135           HN       THR 135 -23.793  15.940  63.663
 1242    HA   THR 135           HA       THR 135 -25.073  15.213  61.291
 1243    HB   THR 135           HB       THR 135 -26.352  16.946  63.408
 1244    HG1  THR 135           HG1      THR 135 -25.539  15.439  64.669
 1245   1HG2  THR 135          HG21      THR 135 -28.294  15.466  62.880
 1246   2HG2  THR 135          HG22      THR 135 -27.325  14.701  61.621
 1247   3HG2  THR 135          HG23      THR 135 -27.751  16.407  61.491
 1248    H    MET 136           HN       MET 136 -24.404  18.395  62.645
 1249    HA   MET 136           HA       MET 136 -25.797  19.960  60.765
 1250   1HB   MET 136          HB2       MET 136 -23.212  20.584  62.213
 1251   2HB   MET 136          HB1       MET 136 -24.263  21.763  61.427
 1252   1HG   MET 136          HG2       MET 136 -25.688  20.003  63.295
 1253   2HG   MET 136          HG1       MET 136 -24.449  20.991  64.071
 1254   1HE   MET 136          HE1       MET 136 -24.057  23.440  63.300
 1255   2HE   MET 136          HE2       MET 136 -24.902  23.386  64.843
 1256   3HE   MET 136          HE3       MET 136 -25.400  24.549  63.618
 1257    H    ILE 137           HN       ILE 137 -22.354  19.261  60.912
 1258    HA   ILE 137           HA       ILE 137 -21.456  20.228  58.520
 1259    HB   ILE 137           HB       ILE 137 -20.571  17.672  59.870
 1260   1HG1  ILE 137          HG12      ILE 137 -19.396  20.431  60.226
 1261   2HG1  ILE 137          HG11      ILE 137 -20.726  19.869  61.242
 1262   1HG2  ILE 137          HG21      ILE 137 -18.345  18.433  58.851
 1263   2HG2  ILE 137          HG22      ILE 137 -19.298  19.537  57.860
 1264   3HG2  ILE 137          HG23      ILE 137 -19.542  17.797  57.721
 1265   1HD1  ILE 137          HD11      ILE 137 -19.097  18.977  62.547
 1266   2HD1  ILE 137          HD12      ILE 137 -17.889  19.086  61.268
 1267   3HD1  ILE 137          HD13      ILE 137 -19.005  17.722  61.313
 1268    H    ALA 138           HN       ALA 138 -23.112  17.156  59.081
 1269    HA   ALA 138           HA       ALA 138 -22.621  15.996  56.537
 1270   1HB   ALA 138          HB1       ALA 138 -23.483  14.347  57.829
 1271   2HB   ALA 138          HB2       ALA 138 -25.050  14.976  57.321
 1272   3HB   ALA 138          HB3       ALA 138 -24.352  15.485  58.858
 1273    H    ASP 139           HN       ASP 139 -25.671  17.431  57.792
 1274    HA   ASP 139           HA       ASP 139 -26.974  17.607  55.367
 1275   1HB   ASP 139          HB2       ASP 139 -28.021  18.045  57.553
 1276   2HB   ASP 139          HB1       ASP 139 -27.115  19.552  57.677
 1277    H    GLN 140           HN       GLN 140 -24.893  19.986  56.959
 1278    HA   GLN 140           HA       GLN 140 -24.978  22.089  55.197
 1279   1HB   GLN 140          HB2       GLN 140 -23.393  22.844  56.582
 1280   2HB   GLN 140          HB1       GLN 140 -23.313  21.241  57.316
 1281   1HG   GLN 140          HG2       GLN 140 -21.135  21.383  56.597
 1282   2HG   GLN 140          HG1       GLN 140 -21.854  20.757  55.113
 1283   1HE2  GLN 140          HE21      GLN 140 -21.365  21.966  53.281
 1284   2HE2  GLN 140          HE22      GLN 140 -20.948  23.611  53.278
 1285    H    LEU 141           HN       LEU 141 -23.093  19.106  54.881
 1286    HA   LEU 141           HA       LEU 141 -22.020  19.966  52.288
 1287   1HB   LEU 141          HB2       LEU 141 -21.421  17.625  54.102
 1288   2HB   LEU 141          HB1       LEU 141 -20.714  17.812  52.497
 1289    HG   LEU 141           HG       LEU 141 -20.498  19.853  54.730
 1290   1HD1  LEU 141          HD11      LEU 141 -17.972  19.029  54.302
 1291   2HD1  LEU 141          HD12      LEU 141 -18.821  17.537  53.894
 1292   3HD1  LEU 141          HD13      LEU 141 -19.026  18.259  55.489
 1293   1HD2  LEU 141          HD21      LEU 141 -18.709  20.760  53.162
 1294   2HD2  LEU 141          HD22      LEU 141 -20.367  20.945  52.593
 1295   3HD2  LEU 141          HD23      LEU 141 -19.346  19.667  51.934
 1296    H    ASN 142           HN       ASN 142 -24.636  18.315  53.536
 1297    HA   ASN 142           HA       ASN 142 -26.263  16.950  52.620
 1298   1HB   ASN 142          HB2       ASN 142 -26.153  18.673  50.777
 1299   2HB   ASN 142          HB1       ASN 142 -24.940  17.670  49.981
 1300   1HD2  ASN 142          HD21      ASN 142 -28.047  16.868  51.643
 1301   2HD2  ASN 142          HD22      ASN 142 -28.684  15.988  50.339
 1302    H    MET 143           HN       MET 143 -24.671  15.507  53.775
 1303    HA   MET 143           HA       MET 143 -23.894  13.264  52.043
 1304   1HB   MET 143          HB2       MET 143 -22.119  14.501  54.187
 1305   2HB   MET 143          HB1       MET 143 -21.771  13.015  53.302
 1306   1HG   MET 143          HG2       MET 143 -22.300  15.571  51.806
 1307   2HG   MET 143          HG1       MET 143 -20.700  15.254  52.479
 1308   1HE   MET 143          HE1       MET 143 -19.357  13.440  52.182
 1309   2HE   MET 143          HE2       MET 143 -18.900  14.232  50.675
 1310   3HE   MET 143          HE3       MET 143 -19.177  12.491  50.699
 1311    H    GLU 144           HN       GLU 144 -24.104  11.294  53.210
 1312    HA   GLU 144           HA       GLU 144 -26.073  11.231  55.220
 1313   1HB   GLU 144          HB2       GLU 144 -25.258   9.386  53.576
 1314   2HB   GLU 144          HB1       GLU 144 -24.069   9.026  54.830
 1315   1HG   GLU 144          HG2       GLU 144 -26.294   9.188  56.356
 1316   2HG   GLU 144          HG1       GLU 144 -27.015   8.632  54.845
 1317    H    LYS 145           HN       LYS 145 -25.950  11.002  57.448
 1318    HA   LYS 145           HA       LYS 145 -23.911  12.242  58.841
 1319   1HB   LYS 145          HB1       LYS 145 -26.064  12.018  59.818
 1320   2HB   LYS 145          HB2       LYS 145 -25.986  10.257  59.745
 1321    H    GLU 146           HN       GLU 146 -24.486   8.725  58.752
 1322    HA   GLU 146           HA       GLU 146 -22.408   7.895  60.362
 1323   1HB   GLU 146          HB2       GLU 146 -24.187   6.427  59.550
 1324   2HB   GLU 146          HB1       GLU 146 -23.530   6.521  57.915
 1325   1HG   GLU 146          HG2       GLU 146 -22.773   4.460  59.020
 1326   2HG   GLU 146          HG1       GLU 146 -21.408   5.534  58.722
 1327    H    VAL 147           HN       VAL 147 -22.312   8.598  56.896
 1328    HA   VAL 147           HA       VAL 147 -19.729   7.657  56.327
 1329    HB   VAL 147           HB       VAL 147 -21.476   9.768  55.060
 1330   1HG1  VAL 147          HG11      VAL 147 -19.764   9.503  53.118
 1331   2HG1  VAL 147          HG12      VAL 147 -18.669   8.895  54.361
 1332   3HG1  VAL 147          HG13      VAL 147 -19.316  10.530  54.479
 1333   1HG2  VAL 147          HG21      VAL 147 -21.416   6.914  54.937
 1334   2HG2  VAL 147          HG22      VAL 147 -20.729   7.459  53.416
 1335   3HG2  VAL 147          HG23      VAL 147 -22.327   7.992  53.894
 1336    H    ILE 148           HN       ILE 148 -20.930  10.743  57.486
 1337    HA   ILE 148           HA       ILE 148 -18.400  12.064  57.372
 1338    HB   ILE 148           HB       ILE 148 -20.987  12.699  58.799
 1339   1HG1  ILE 148          HG12      ILE 148 -21.084  12.784  56.343
 1340   2HG1  ILE 148          HG11      ILE 148 -21.155  14.414  57.011
 1341   1HG2  ILE 148          HG21      ILE 148 -19.291  13.806  60.056
 1342   2HG2  ILE 148          HG22      ILE 148 -19.912  15.021  58.939
 1343   3HG2  ILE 148          HG23      ILE 148 -18.379  14.215  58.604
 1344   1HD1  ILE 148          HD11      ILE 148 -18.481  14.166  56.752
 1345   2HD1  ILE 148          HD12      ILE 148 -19.507  14.790  55.460
 1346   3HD1  ILE 148          HD13      ILE 148 -18.996  13.102  55.444
 1347    H    ARG 149           HN       ARG 149 -20.249  10.422  59.930
 1348    HA   ARG 149           HA       ARG 149 -18.591  11.120  62.103
 1349   1HB   ARG 149          HB2       ARG 149 -20.865   9.752  62.119
 1350   2HB   ARG 149          HB1       ARG 149 -19.795   8.356  61.951
 1351   1HG   ARG 149          HG2       ARG 149 -18.553   9.875  63.929
 1352   2HG   ARG 149          HG1       ARG 149 -20.263  10.084  64.285
 1353   1HD   ARG 149          HD2       ARG 149 -18.752   7.982  65.183
 1354   2HD   ARG 149          HD1       ARG 149 -20.496   7.959  65.039
 1355    HE   ARG 149           HE       ARG 149 -19.494   7.145  62.527
 1356   1HH1  ARG 149          HH21      ARG 149 -19.103   6.143  65.833
 1357   2HH1  ARG 149          HH22      ARG 149 -19.033   4.455  65.448
 1358   1HH2  ARG 149          HH11      ARG 149 -19.384   4.931  62.027
 1359   2HH2  ARG 149          HH12      ARG 149 -19.197   3.777  63.309
 1360    H    VAL 150           HN       VAL 150 -18.542   8.441  59.778
 1361    HA   VAL 150           HA       VAL 150 -16.322   7.070  60.863
 1362    HB   VAL 150           HB       VAL 150 -17.556   7.081  58.106
 1363   1HG1  VAL 150          HG11      VAL 150 -15.113   5.702  59.163
 1364   2HG1  VAL 150          HG12      VAL 150 -15.497   6.200  57.516
 1365   3HG1  VAL 150          HG13      VAL 150 -16.211   4.734  58.180
 1366   1HG2  VAL 150          HG21      VAL 150 -17.598   4.975  60.286
 1367   2HG2  VAL 150          HG22      VAL 150 -18.600   5.042  58.836
 1368   3HG2  VAL 150          HG23      VAL 150 -18.838   6.217  60.128
 1369    H    TRP 151           HN       TRP 151 -16.562   9.651  58.433
 1370    HA   TRP 151           HA       TRP 151 -13.930   9.514  57.432
 1371   1HB   TRP 151          HB2       TRP 151 -15.471  10.847  56.216
 1372   2HB   TRP 151          HB1       TRP 151 -15.962  11.739  57.655
 1373    HD1  TRP 151           HD1      TRP 151 -14.461  13.696  58.485
 1374    HE1  TRP 151           HE1      TRP 151 -12.484  14.979  57.450
 1375    HE3  TRP 151           HE3      TRP 151 -13.359  10.605  54.561
 1376    HZ2  TRP 151           HZ2      TRP 151 -10.677  14.744  55.246
 1377    HZ3  TRP 151           HZ3      TRP 151 -11.499  11.176  53.000
 1378    HH2  TRP 151           HH2      TRP 151 -10.164  13.231  53.342
 1379    H    PHE 152           HN       PHE 152 -15.316  11.381  60.137
 1380    HA   PHE 152           HA       PHE 152 -12.868  12.663  60.832
 1381   1HB   PHE 152          HB2       PHE 152 -15.555  12.303  62.068
 1382   2HB   PHE 152          HB1       PHE 152 -14.221  12.750  63.134
 1383    HD1  PHE 152           HD1      PHE 152 -12.918  14.836  62.707
 1384    HD2  PHE 152           HD2      PHE 152 -16.436  13.847  60.449
 1385    HE1  PHE 152           HE1      PHE 152 -13.066  17.181  61.910
 1386    HE2  PHE 152           HE2      PHE 152 -16.585  16.192  59.655
 1387    HZ   PHE 152           HZ       PHE 152 -14.902  17.858  60.386
 1388    H    CYS 153           HN       CYS 153 -14.434   9.615  61.813
 1389    HA   CYS 153           HA       CYS 153 -12.616   9.036  63.924
 1390   1HB   CYS 153          HB2       CYS 153 -14.217   7.232  62.102
 1391   2HB   CYS 153          HB1       CYS 153 -13.282   6.650  63.479
 1392    HG   CYS 153           HG       CYS 153 -15.879   8.333  63.657
 1393    H    ASN 154           HN       ASN 154 -12.587   8.204  60.449
 1394    HA   ASN 154           HA       ASN 154 -10.171   6.732  60.477
 1395   1HB   ASN 154          HB2       ASN 154 -11.667   8.231  58.325
 1396   2HB   ASN 154          HB1       ASN 154 -10.168   7.364  57.991
 1397   1HD2  ASN 154          HD21      ASN 154 -12.682   6.566  56.830
 1398   2HD2  ASN 154          HD22      ASN 154 -13.096   5.048  57.465
 1399    H    ARG 155           HN       ARG 155 -10.879  10.171  60.109
 1400    HA   ARG 155           HA       ARG 155  -8.286  10.966  59.284
 1401   1HB   ARG 155          HB2       ARG 155 -10.431  12.208  59.030
 1402   2HB   ARG 155          HB1       ARG 155 -10.438  12.497  60.762
 1403   1HG   ARG 155          HG2       ARG 155  -9.505  14.332  59.123
 1404   2HG   ARG 155          HG1       ARG 155  -8.710  14.023  60.660
 1405   1HD   ARG 155          HD2       ARG 155  -7.079  12.548  59.555
 1406   2HD   ARG 155          HD1       ARG 155  -7.869  12.883  57.982
 1407    HE   ARG 155           HE       ARG 155  -7.304  15.358  58.489
 1408   1HH1  ARG 155          HH21      ARG 155  -5.579  12.692  59.755
 1409   2HH1  ARG 155          HH22      ARG 155  -4.001  13.303  59.378
 1410   1HH2  ARG 155          HH11      ARG 155  -5.251  16.261  57.966
 1411   2HH2  ARG 155          HH12      ARG 155  -3.819  15.353  58.336
 1412    H    ARG 156           HN       ARG 156  -9.782  10.707  62.511
 1413    HA   ARG 156           HA       ARG 156  -7.652  11.886  64.001
 1414   1HB   ARG 156          HB2       ARG 156  -9.890   9.961  64.670
 1415   2HB   ARG 156          HB1       ARG 156  -8.725  10.499  65.881
 1416   1HG   ARG 156          HG2       ARG 156  -9.396  12.899  64.889
 1417   2HG   ARG 156          HG1       ARG 156 -10.891  12.040  64.520
 1418   1HD   ARG 156          HD2       ARG 156  -9.626  11.879  67.249
 1419   2HD   ARG 156          HD1       ARG 156 -10.714  13.199  66.832
 1420    HE   ARG 156           HE       ARG 156 -11.531  10.605  67.625
 1421   1HH1  ARG 156          HH21      ARG 156 -12.007  12.734  64.963
 1422   2HH1  ARG 156          HH22      ARG 156 -13.562  12.086  64.563
 1423   1HH2  ARG 156          HH11      ARG 156 -13.538   9.753  67.118
 1424   2HH2  ARG 156          HH12      ARG 156 -14.427  10.404  65.781
 1425    H    GLN 157           HN       GLN 157  -8.418   8.618  62.883
 1426    HA   GLN 157           HA       GLN 157  -6.364   7.239  64.307
 1427   1HB   GLN 157          HB2       GLN 157  -7.890   6.595  61.780
 1428   2HB   GLN 157          HB1       GLN 157  -6.707   5.497  62.492
 1429   1HG   GLN 157          HG2       GLN 157  -7.973   5.449  64.589
 1430   2HG   GLN 157          HG1       GLN 157  -9.135   6.600  63.936
 1431   1HE2  GLN 157          HE21      GLN 157 -11.015   5.348  63.643
 1432   2HE2  GLN 157          HE22      GLN 157 -11.066   3.894  62.769
 1433    H    LYS 158           HN       LYS 158  -6.510   8.613  61.018
 1434    HA   LYS 158           HA       LYS 158  -3.977   7.763  60.181
 1435   1HB   LYS 158          HB2       LYS 158  -5.776   8.648  58.729
 1436   2HB   LYS 158          HB1       LYS 158  -5.472  10.260  59.368
 1437   1HG   LYS 158          HG2       LYS 158  -3.119  10.115  58.585
 1438   2HG   LYS 158          HG1       LYS 158  -3.462   8.529  57.895
 1439   1HD   LYS 158          HD2       LYS 158  -5.041  10.996  57.148
 1440   2HD   LYS 158          HD1       LYS 158  -3.581  10.514  56.286
 1441   1HE   LYS 158          HE2       LYS 158  -4.645   8.261  55.898
 1442   2HE   LYS 158          HE1       LYS 158  -6.138   8.911  56.571
 1443   1HZ   LYS 158          HZ1       LYS 158  -5.995   9.053  54.132
 1444   2HZ   LYS 158          HZ2       LYS 158  -4.694  10.132  54.301
 1445   3HZ   LYS 158          HZ3       LYS 158  -6.231  10.551  54.890
 1446    H    GLU 159           HN       GLU 159  -5.013  10.576  62.003
 1447    HA   GLU 159           HA       GLU 159  -2.593  12.055  61.868
 1448   1HB   GLU 159          HB2       GLU 159  -4.899  12.904  62.519
 1449   2HB   GLU 159          HB1       GLU 159  -4.641  12.142  64.088
 1450   1HG   GLU 159          HG2       GLU 159  -3.971  14.485  64.215
 1451   2HG   GLU 159          HG1       GLU 159  -2.539  13.463  64.341
 1452    H    LYS 160           HN       LYS 160  -3.631   9.330  63.838
 1453    HA   LYS 160           HA       LYS 160  -1.563   9.779  65.829
 1454   1HB   LYS 160          HB2       LYS 160  -3.503   7.502  65.376
 1455   2HB   LYS 160          HB1       LYS 160  -2.374   7.593  66.729
 1456   1HG   LYS 160          HG2       LYS 160  -3.406   9.855  67.281
 1457   2HG   LYS 160          HG1       LYS 160  -4.666   9.468  66.106
 1458   1HD   LYS 160          HD2       LYS 160  -5.278   7.466  67.348
 1459   2HD   LYS 160          HD1       LYS 160  -3.941   7.715  68.472
 1460   1HE   LYS 160          HE2       LYS 160  -5.027  10.022  68.934
 1461   2HE   LYS 160          HE1       LYS 160  -6.463   9.340  68.170
 1462   1HZ   LYS 160          HZ1       LYS 160  -5.121   8.523  70.657
 1463   2HZ   LYS 160          HZ2       LYS 160  -6.028   7.386  69.778
 1464   3HZ   LYS 160          HZ3       LYS 160  -6.769   8.797  70.369
 1465    H    ARG 161           HN       ARG 161  -1.583   8.500  62.707
 1466    HA   ARG 161           HA       ARG 161   0.139   6.235  63.054
 1467   1HB   ARG 161          HB2       ARG 161  -0.462   7.974  60.655
 1468   2HB   ARG 161          HB1       ARG 161   0.530   6.517  60.588
 1469   1HG   ARG 161          HG2       ARG 161  -1.350   5.184  61.458
 1470   2HG   ARG 161          HG1       ARG 161  -2.346   6.638  61.542
 1471   1HD   ARG 161          HD2       ARG 161  -2.100   6.938  59.095
 1472   2HD   ARG 161          HD1       ARG 161  -1.130   5.470  59.022
 1473    HE   ARG 161           HE       ARG 161  -3.485   4.657  60.246
 1474   1HH1  ARG 161          HH21      ARG 161  -2.602   6.326  57.361
 1475   2HH1  ARG 161          HH22      ARG 161  -3.945   5.727  56.446
 1476   1HH2  ARG 161          HH11      ARG 161  -5.243   3.864  59.067
 1477   2HH2  ARG 161          HH12      ARG 161  -5.440   4.333  57.411
 1478    H    ILE 162           HN       ILE 162   2.381   6.070  62.503
 1479    HA   ILE 162           HA       ILE 162   4.073   8.174  63.455
 1480    HB   ILE 162           HB       ILE 162   4.605   5.630  61.889
 1481   1HG1  ILE 162          HG12      ILE 162   5.348   6.374  64.730
 1482   2HG1  ILE 162          HG11      ILE 162   3.848   5.542  64.319
 1483   1HG2  ILE 162          HG21      ILE 162   6.466   7.808  62.823
 1484   2HG2  ILE 162          HG22      ILE 162   6.422   6.991  61.261
 1485   3HG2  ILE 162          HG23      ILE 162   7.029   6.142  62.683
 1486   1HD1  ILE 162          HD11      ILE 162   5.521   3.884  64.932
 1487   2HD1  ILE 162          HD12      ILE 162   6.662   4.560  63.769
 1488   3HD1  ILE 162          HD13      ILE 162   5.198   3.757  63.203
 1489    H    ASN 163           HN       ASN 163   3.469   6.768  60.247
 1490    HA   ASN 163           HA       ASN 163   4.237   9.331  59.005
 1491   1HB   ASN 163          HB2       ASN 163   4.559   6.494  58.016
 1492   2HB   ASN 163          HB1       ASN 163   4.763   7.911  56.986
 1493   1HD2  ASN 163          HD21      ASN 163   6.863   5.950  57.840
 1494   2HD2  ASN 163          HD22      ASN 163   8.043   6.867  58.644
 1495    H    ASP 206           HN       ASP 206  21.019 -12.682  30.287
 1496    HA   ASP 206           HA       ASP 206  19.029 -11.734  29.057
 1497   1HB   ASP 206          HB2       ASP 206  19.512 -14.607  29.451
 1498   2HB   ASP 206          HB1       ASP 206  17.846 -14.277  29.000
 1499    H    ARG 207           HN       ARG 207  17.367 -10.543  29.833
 1500    HA   ARG 207           HA       ARG 207  15.852 -11.447  32.193
 1501   1HB   ARG 207          HB2       ARG 207  16.492  -9.005  31.710
 1502   2HB   ARG 207          HB1       ARG 207  15.243  -9.035  30.464
 1503   1HG   ARG 207          HG2       ARG 207  13.693  -9.945  32.357
 1504   2HG   ARG 207          HG1       ARG 207  14.937  -9.334  33.448
 1505   1HD   ARG 207          HD2       ARG 207  14.715  -7.088  32.480
 1506   2HD   ARG 207          HD1       ARG 207  13.523  -7.690  31.333
 1507    HE   ARG 207           HE       ARG 207  12.526  -8.371  33.860
 1508   1HH1  ARG 207          HH21      ARG 207  13.550  -5.546  32.184
 1509   2HH1  ARG 207          HH22      ARG 207  12.455  -4.492  33.014
 1510   1HH2  ARG 207          HH11      ARG 207  11.083  -7.019  34.955
 1511   2HH2  ARG 207          HH12      ARG 207  11.056  -5.327  34.585
 1512    H    VAL 208           HN       VAL 208  13.667 -12.057  32.164
 1513    HA   VAL 208           HA       VAL 208  12.704 -13.035  29.554
 1514    HB   VAL 208           HB       VAL 208  11.469 -13.321  32.312
 1515   1HG1  VAL 208          HG11      VAL 208   9.890 -13.680  30.461
 1516   2HG1  VAL 208          HG12      VAL 208  10.269 -15.211  31.249
 1517   3HG1  VAL 208          HG13      VAL 208  11.017 -14.806  29.704
 1518   1HG2  VAL 208          HG21      VAL 208  13.305 -15.162  30.743
 1519   2HG2  VAL 208          HG22      VAL 208  12.483 -15.598  32.241
 1520   3HG2  VAL 208          HG23      VAL 208  13.705 -14.327  32.243
 1521    H    LYS 209           HN       LYS 209  11.186 -12.037  28.404
 1522    HA   LYS 209           HA       LYS 209  10.036  -9.524  29.417
 1523   1HB   LYS 209          HB2       LYS 209   9.891 -10.867  26.700
 1524   2HB   LYS 209          HB1       LYS 209   9.337  -9.230  27.062
 1525   1HG   LYS 209          HG2       LYS 209  11.647  -8.626  27.776
 1526   2HG   LYS 209          HG1       LYS 209  12.187 -10.249  27.339
 1527   1HD   LYS 209          HD2       LYS 209  11.392  -9.856  25.018
 1528   2HD   LYS 209          HD1       LYS 209  10.973  -8.228  25.505
 1529   1HE   LYS 209          HE2       LYS 209  13.284  -7.698  25.997
 1530   2HE   LYS 209          HE1       LYS 209  13.753  -9.346  25.565
 1531   1HZ   LYS 209          HZ1       LYS 209  13.390  -8.979  23.363
 1532   2HZ   LYS 209          HZ2       LYS 209  13.827  -7.400  23.816
 1533   3HZ   LYS 209          HZ3       LYS 209  12.189  -7.812  23.628
 1534    H    ARG 210           HN       ARG 210   7.708  -9.116  29.289
 1535    HA   ARG 210           HA       ARG 210   6.154 -11.272  30.377
 1536   1HB   ARG 210          HB2       ARG 210   5.161  -8.642  29.259
 1537   2HB   ARG 210          HB1       ARG 210   4.310  -9.696  30.384
 1538   1HG   ARG 210          HG2       ARG 210   5.920  -9.299  32.114
 1539   2HG   ARG 210          HG1       ARG 210   7.016  -8.489  30.995
 1540   1HD   ARG 210          HD2       ARG 210   5.709  -6.909  32.429
 1541   2HD   ARG 210          HD1       ARG 210   5.464  -6.653  30.707
 1542    HE   ARG 210           HE       ARG 210   3.423  -8.385  31.410
 1543   1HH1  ARG 210          HH21      ARG 210   4.633  -5.362  32.544
 1544   2HH1  ARG 210          HH22      ARG 210   3.087  -4.792  33.077
 1545   1HH2  ARG 210          HH11      ARG 210   1.397  -7.658  32.098
 1546   2HH2  ARG 210          HH12      ARG 210   1.254  -6.092  32.824
 1547    HA   PRO 211           HA       PRO 211   4.473 -13.252  26.791
 1548   1HB   PRO 211          HB2       PRO 211   1.823 -13.063  28.134
 1549   2HB   PRO 211          HB1       PRO 211   2.648 -14.513  27.523
 1550   1HG   PRO 211          HG2       PRO 211   2.466 -14.018  30.140
 1551   2HG   PRO 211          HG1       PRO 211   3.919 -14.747  29.435
 1552   1HD   PRO 211          HD2       PRO 211   3.488 -11.938  30.392
 1553   2HD   PRO 211          HD1       PRO 211   4.947 -12.953  30.437
 1554    H    MET 212           HN       MET 212   3.476 -12.525  24.896
 1555    HA   MET 212           HA       MET 212   2.661  -9.747  24.796
 1556   1HB   MET 212          HB2       MET 212   2.598 -11.957  22.725
 1557   2HB   MET 212          HB1       MET 212   2.163 -10.281  22.387
 1558   1HG   MET 212          HG2       MET 212   4.386  -9.560  23.183
 1559   2HG   MET 212          HG1       MET 212   4.837 -11.241  23.436
 1560   1HE   MET 212          HE1       MET 212   3.678 -12.813  20.632
 1561   2HE   MET 212          HE2       MET 212   4.890 -12.953  21.901
 1562   3HE   MET 212          HE3       MET 212   5.398 -12.818  20.222
 1563    H    ASN 213           HN       ASN 213   0.594  -8.919  24.863
 1564    HA   ASN 213           HA       ASN 213  -1.574 -10.681  25.612
 1565   1HB   ASN 213          HB2       ASN 213  -2.855  -8.666  25.954
 1566   2HB   ASN 213          HB1       ASN 213  -1.235  -8.403  26.597
 1567   1HD2  ASN 213          HD21      ASN 213  -0.974  -6.160  26.226
 1568   2HD2  ASN 213          HD22      ASN 213  -1.080  -5.440  24.692
 1569    H    ALA 214           HN       ALA 214  -3.741 -10.427  24.540
 1570    HA   ALA 214           HA       ALA 214  -3.736 -11.401  21.941
 1571   1HB   ALA 214          HB1       ALA 214  -5.956  -9.632  22.963
 1572   2HB   ALA 214          HB2       ALA 214  -5.683 -11.251  23.606
 1573   3HB   ALA 214          HB3       ALA 214  -6.078 -11.035  21.901
 1574    H    PHE 215           HN       PHE 215  -3.807  -7.962  22.907
 1575    HA   PHE 215           HA       PHE 215  -4.245  -7.060  20.176
 1576   1HB   PHE 215          HB2       PHE 215  -4.851  -5.647  22.095
 1577   2HB   PHE 215          HB1       PHE 215  -3.164  -5.594  22.605
 1578    HD1  PHE 215           HD1      PHE 215  -5.579  -4.510  20.011
 1579    HD2  PHE 215           HD2      PHE 215  -1.536  -4.214  21.463
 1580    HE1  PHE 215           HE1      PHE 215  -5.175  -2.574  18.505
 1581    HE2  PHE 215           HE2      PHE 215  -1.134  -2.282  19.951
 1582    HZ   PHE 215           HZ       PHE 215  -2.954  -1.464  18.469
 1583    H    MET 216           HN       MET 216  -1.334  -7.317  22.284
 1584    HA   MET 216           HA       MET 216   0.427  -6.208  20.370
 1585   1HB   MET 216          HB2       MET 216   0.890  -8.314  22.515
 1586   2HB   MET 216          HB1       MET 216   2.169  -7.421  21.690
 1587   1HG   MET 216          HG2       MET 216  -0.066  -6.053  23.186
 1588   2HG   MET 216          HG1       MET 216   1.451  -6.478  23.958
 1589   1HE   MET 216          HE1       MET 216   3.523  -6.021  23.264
 1590   2HE   MET 216          HE2       MET 216   3.922  -4.316  23.195
 1591   3HE   MET 216          HE3       MET 216   3.945  -5.285  21.724
 1592    H    VAL 217           HN       VAL 217  -0.555  -9.593  20.931
 1593    HA   VAL 217           HA       VAL 217   1.101 -10.733  18.876
 1594    HB   VAL 217           HB       VAL 217  -1.627 -11.688  19.813
 1595   1HG1  VAL 217          HG11      VAL 217  -0.914 -12.846  17.817
 1596   2HG1  VAL 217          HG12      VAL 217  -0.635 -13.923  19.185
 1597   3HG1  VAL 217          HG13      VAL 217   0.716 -13.052  18.458
 1598   1HG2  VAL 217          HG21      VAL 217   1.046 -12.622  20.859
 1599   2HG2  VAL 217          HG22      VAL 217  -0.550 -12.824  21.582
 1600   3HG2  VAL 217          HG23      VAL 217   0.223 -11.239  21.583
 1601    H    TRP 218           HN       TRP 218  -2.283  -9.638  18.867
 1602    HA   TRP 218           HA       TRP 218  -2.808 -10.104  16.100
 1603   1HB   TRP 218          HB2       TRP 218  -4.656  -9.790  17.585
 1604   2HB   TRP 218          HB1       TRP 218  -4.038  -8.232  18.129
 1605    HD1  TRP 218           HD1      TRP 218  -5.719  -9.919  15.146
 1606    HE1  TRP 218           HE1      TRP 218  -6.721  -8.094  13.625
 1607    HE3  TRP 218           HE3      TRP 218  -3.856  -5.754  17.433
 1608    HZ2  TRP 218           HZ2      TRP 218  -6.726  -5.239  13.409
 1609    HZ3  TRP 218           HZ3      TRP 218  -4.378  -3.496  16.556
 1610    HH2  TRP 218           HH2      TRP 218  -5.810  -3.234  14.549
 1611    H    SER 219           HN       SER 219  -1.220  -7.422  17.741
 1612    HA   SER 219           HA       SER 219  -1.407  -5.673  15.390
 1613   1HB   SER 219          HB2       SER 219   0.495  -4.481  16.841
 1614   2HB   SER 219          HB1       SER 219  -1.207  -4.352  17.271
 1615    HG   SER 219           HG       SER 219  -0.760  -5.391  19.032
 1616    H    ARG 220           HN       ARG 220   0.992  -7.867  16.824
 1617    HA   ARG 220           HA       ARG 220   3.274  -7.177  15.355
 1618   1HB   ARG 220          HB2       ARG 220   2.974  -9.039  17.094
 1619   2HB   ARG 220          HB1       ARG 220   2.395 -10.037  15.759
 1620   1HG   ARG 220          HG2       ARG 220   4.515  -9.574  14.532
 1621   2HG   ARG 220          HG1       ARG 220   5.093  -8.663  15.926
 1622   1HD   ARG 220          HD2       ARG 220   5.549 -10.560  17.132
 1623   2HD   ARG 220          HD1       ARG 220   4.118 -11.407  16.541
 1624    HE   ARG 220           HE       ARG 220   5.778 -11.265  14.323
 1625   1HH1  ARG 220          HH21      ARG 220   6.019 -12.349  17.583
 1626   2HH1  ARG 220          HH22      ARG 220   7.162 -13.599  17.223
 1627   1HH2  ARG 220          HH11      ARG 220   7.263 -12.886  13.828
 1628   2HH2  ARG 220          HH12      ARG 220   7.868 -13.904  15.092
 1629    H    GLY 221           HN       GLY 221   0.649  -9.413  14.326
 1630   1HA   GLY 221          HA2       GLY 221   1.786  -9.570  11.629
 1631   2HA   GLY 221          HA1       GLY 221   0.296 -10.339  12.167
 1632    H    GLN 222           HN       GLN 222  -0.961  -7.900  13.178
 1633    HA   GLN 222           HA       GLN 222  -2.041  -6.918  10.668
 1634   1HB   GLN 222          HB2       GLN 222  -3.249  -7.060  12.936
 1635   2HB   GLN 222          HB1       GLN 222  -2.376  -5.590  13.366
 1636   1HG   GLN 222          HG2       GLN 222  -4.420  -4.800  12.480
 1637   2HG   GLN 222          HG1       GLN 222  -3.281  -4.632  11.143
 1638   1HE2  GLN 222          HE21      GLN 222  -4.448  -5.160   9.278
 1639   2HE2  GLN 222          HE22      GLN 222  -5.413  -6.545   9.105
 1640    H    ARG 223           HN       ARG 223   0.155  -5.601  13.126
 1641    HA   ARG 223           HA       ARG 223   0.497  -2.993  12.100
 1642   1HB   ARG 223          HB2       ARG 223   1.394  -3.872  14.268
 1643   2HB   ARG 223          HB1       ARG 223   2.632  -4.738  13.358
 1644   1HG   ARG 223          HG2       ARG 223   3.214  -2.448  12.324
 1645   2HG   ARG 223          HG1       ARG 223   2.257  -1.755  13.635
 1646   1HD   ARG 223          HD2       ARG 223   4.485  -3.735  14.117
 1647   2HD   ARG 223          HD1       ARG 223   4.759  -1.996  14.096
 1648    HE   ARG 223           HE       ARG 223   3.851  -3.384  16.343
 1649   1HH1  ARG 223          HH21      ARG 223   2.625  -0.912  14.276
 1650   2HH1  ARG 223          HH22      ARG 223   1.642  -0.193  15.508
 1651   1HH2  ARG 223          HH11      ARG 223   2.578  -2.461  17.952
 1652   2HH2  ARG 223          HH12      ARG 223   1.618  -1.068  17.585
 1653    H    ARG 224           HN       ARG 224   2.232  -6.007  11.200
 1654    HA   ARG 224           HA       ARG 224   3.934  -4.688   9.272
 1655   1HB   ARG 224          HB2       ARG 224   4.134  -7.068  10.350
 1656   2HB   ARG 224          HB1       ARG 224   3.081  -7.566   9.027
 1657   1HG   ARG 224          HG2       ARG 224   5.366  -7.884   8.310
 1658   2HG   ARG 224          HG1       ARG 224   4.721  -6.499   7.428
 1659   1HD   ARG 224          HD2       ARG 224   5.713  -5.042   9.284
 1660   2HD   ARG 224          HD1       ARG 224   6.585  -6.478   9.815
 1661    HE   ARG 224           HE       ARG 224   7.577  -4.856   7.841
 1662   1HH1  ARG 224          HH21      ARG 224   6.259  -8.038   7.894
 1663   2HH1  ARG 224          HH22      ARG 224   7.186  -8.584   6.536
 1664   1HH2  ARG 224          HH11      ARG 224   8.784  -5.550   6.067
 1665   2HH2  ARG 224          HH12      ARG 224   8.611  -7.180   5.505
 1666    H    LYS 225           HN       LYS 225   0.734  -6.217   9.087
 1667    HA   LYS 225           HA       LYS 225   0.460  -6.237   6.253
 1668   1HB   LYS 225          HB2       LYS 225  -1.106  -7.314   7.921
 1669   2HB   LYS 225          HB1       LYS 225  -1.741  -5.707   8.274
 1670   1HG   LYS 225          HG2       LYS 225  -2.247  -5.465   5.809
 1671   2HG   LYS 225          HG1       LYS 225  -1.824  -7.169   5.623
 1672   1HD   LYS 225          HD2       LYS 225  -3.526  -7.466   7.636
 1673   2HD   LYS 225          HD1       LYS 225  -4.165  -5.939   7.027
 1674   1HE   LYS 225          HE2       LYS 225  -3.600  -7.917   4.923
 1675   2HE   LYS 225          HE1       LYS 225  -4.854  -8.417   6.057
 1676   1HZ   LYS 225          HZ1       LYS 225  -4.773  -5.912   4.469
 1677   2HZ   LYS 225          HZ2       LYS 225  -5.903  -6.217   5.701
 1678   3HZ   LYS 225          HZ3       LYS 225  -5.876  -7.191   4.309
 1679    H    MET 226           HN       MET 226  -0.396  -3.764   8.653
 1680    HA   MET 226           HA       MET 226  -1.355  -1.833   6.759
 1681   1HB   MET 226          HB2       MET 226  -1.773  -1.895   9.280
 1682   2HB   MET 226          HB1       MET 226  -0.160  -1.199   9.460
 1683   1HG   MET 226          HG2       MET 226  -1.747   0.625   9.428
 1684   2HG   MET 226          HG1       MET 226  -0.869   0.649   7.899
 1685   1HE   MET 226          HE1       MET 226  -3.903   1.538   9.211
 1686   2HE   MET 226          HE2       MET 226  -4.168  -0.112   9.767
 1687   3HE   MET 226          HE3       MET 226  -5.240   0.582   8.554
 1688    H    ALA 227           HN       ALA 227   1.864  -2.523   8.067
 1689    HA   ALA 227           HA       ALA 227   3.051  -0.072   7.110
 1690   1HB   ALA 227          HB1       ALA 227   4.349  -2.753   7.686
 1691   2HB   ALA 227          HB2       ALA 227   4.112  -1.455   8.857
 1692   3HB   ALA 227          HB3       ALA 227   5.201  -1.223   7.489
 1693    H    GLN 228           HN       GLN 228   2.650  -3.322   5.656
 1694    HA   GLN 228           HA       GLN 228   4.238  -2.694   3.363
 1695   1HB   GLN 228          HB2       GLN 228   2.033  -4.727   3.766
 1696   2HB   GLN 228          HB1       GLN 228   3.079  -4.652   2.347
 1697   1HG   GLN 228          HG2       GLN 228   5.058  -4.986   3.756
 1698   2HG   GLN 228          HG1       GLN 228   4.045  -5.003   5.201
 1699   1HE2  GLN 228          HE21      GLN 228   5.653  -7.264   4.548
 1700   2HE2  GLN 228          HE22      GLN 228   4.634  -8.548   4.106
 1701    H    GLU 229           HN       GLU 229   0.833  -2.358   4.162
 1702    HA   GLU 229           HA       GLU 229   0.157  -1.351   1.480
 1703   1HB   GLU 229          HB2       GLU 229  -1.434  -1.431   4.066
 1704   2HB   GLU 229          HB1       GLU 229  -2.077  -0.919   2.504
 1705   1HG   GLU 229          HG2       GLU 229  -1.375  -3.180   1.593
 1706   2HG   GLU 229          HG1       GLU 229  -1.043  -3.663   3.257
 1707    H    ASN 230           HN       ASN 230   1.035  -0.148   4.637
 1708    HA   ASN 230           HA       ASN 230   1.047   2.630   3.529
 1709   1HB   ASN 230          HB2       ASN 230   0.455   1.967   6.423
 1710   2HB   ASN 230          HB1       ASN 230   0.265   3.520   5.610
 1711   1HD2  ASN 230          HD21      ASN 230  -2.007   2.664   6.849
 1712   2HD2  ASN 230          HD22      ASN 230  -3.128   2.043   5.736
 1713    HA   PRO 231           HA       PRO 231   5.143   1.155   5.291
 1714   1HB   PRO 231          HB2       PRO 231   6.637   1.601   3.051
 1715   2HB   PRO 231          HB1       PRO 231   5.786   0.078   3.372
 1716   1HG   PRO 231          HG2       PRO 231   5.026   2.331   1.588
 1717   2HG   PRO 231          HG1       PRO 231   4.827   0.586   1.356
 1718   1HD   PRO 231          HD2       PRO 231   2.785   2.256   2.138
 1719   2HD   PRO 231          HD1       PRO 231   2.842   0.522   2.523
 1720    H    LYS 232           HN       LYS 232   3.909   4.120   4.086
 1721    HA   LYS 232           HA       LYS 232   6.370   5.524   4.927
 1722   1HB   LYS 232          HB2       LYS 232   4.068   6.458   3.195
 1723   2HB   LYS 232          HB1       LYS 232   5.436   7.461   3.682
 1724   1HG   LYS 232          HG2       LYS 232   6.973   5.816   2.603
 1725   2HG   LYS 232          HG1       LYS 232   5.565   4.919   2.033
 1726   1HD   LYS 232          HD2       LYS 232   4.782   6.979   0.855
 1727   2HD   LYS 232          HD1       LYS 232   6.274   7.786   1.343
 1728   1HE   LYS 232          HE2       LYS 232   7.564   5.974   0.181
 1729   2HE   LYS 232          HE1       LYS 232   6.035   5.324  -0.410
 1730   1HZ   LYS 232          HZ1       LYS 232   7.132   6.815  -2.006
 1731   2HZ   LYS 232          HZ2       LYS 232   6.992   8.093  -0.893
 1732   3HZ   LYS 232          HZ3       LYS 232   5.598   7.375  -1.546
 1733    H    MET 233           HN       MET 233   3.435   4.578   6.068
 1734    HA   MET 233           HA       MET 233   2.723   7.039   7.504
 1735   1HB   MET 233          HB2       MET 233   1.013   5.324   6.812
 1736   2HB   MET 233          HB1       MET 233   1.743   4.200   7.958
 1737   1HG   MET 233          HG2       MET 233  -0.017   5.162   9.193
 1738   2HG   MET 233          HG1       MET 233   1.394   6.088   9.705
 1739   1HE   MET 233          HE1       MET 233  -1.706   5.742   7.748
 1740   2HE   MET 233          HE2       MET 233  -2.323   7.381   7.547
 1741   3HE   MET 233          HE3       MET 233  -2.167   6.697   9.163
 1742    H    HIS 234           HN       HIS 234   3.366   7.497   9.635
 1743    HA   HIS 234           HA       HIS 234   5.604   6.010  10.667
 1744   1HB   HIS 234          HB2       HIS 234   4.041   8.073  12.221
 1745   2HB   HIS 234          HB1       HIS 234   5.770   7.727  12.270
 1746    HD1  HIS 234           HD1      HIS 234   7.080   8.309   9.914
 1747    HD2  HIS 234           HD2      HIS 234   3.373  10.127  10.509
 1748    HE1  HIS 234           HE1      HIS 234   6.962  10.253   8.289
 1749    HE2  HIS 234           HE2      HIS 234   4.710  11.365   8.645
 1750    H    ASN 235           HN       ASN 235   5.646   4.734  12.625
 1751    HA   ASN 235           HA       ASN 235   3.364   3.115  13.098
 1752   1HB   ASN 235          HB2       ASN 235   5.845   3.701  14.700
 1753   2HB   ASN 235          HB1       ASN 235   4.574   2.672  15.362
 1754   1HD2  ASN 235          HD21      ASN 235   5.458   0.583  15.142
 1755   2HD2  ASN 235          HD22      ASN 235   6.020  -0.063  13.676
 1756    H    SER 236           HN       SER 236   4.249   6.256  14.432
 1757    HA   SER 236           HA       SER 236   2.582   6.173  16.733
 1758   1HB   SER 236          HB2       SER 236   3.025   8.643  15.051
 1759   2HB   SER 236          HB1       SER 236   2.788   8.540  16.795
 1760    HG   SER 236           HG       SER 236   4.789   7.319  16.824
 1761    H    GLU 237           HN       GLU 237   1.837   7.031  13.346
 1762    HA   GLU 237           HA       GLU 237  -0.939   7.644  14.065
 1763   1HB   GLU 237          HB2       GLU 237   0.439   7.353  11.377
 1764   2HB   GLU 237          HB1       GLU 237  -1.236   7.865  11.589
 1765   1HG   GLU 237          HG2       GLU 237  -0.366   9.723  13.085
 1766   2HG   GLU 237          HG1       GLU 237   1.258   9.286  12.552
 1767    H    ILE 238           HN       ILE 238   0.819   4.958  12.448
 1768    HA   ILE 238           HA       ILE 238  -1.517   3.461  11.769
 1769    HB   ILE 238           HB       ILE 238   1.244   2.467  12.588
 1770   1HG1  ILE 238          HG12      ILE 238   0.009   2.728   9.828
 1771   2HG1  ILE 238          HG11      ILE 238   1.021   3.956  10.573
 1772   1HG2  ILE 238          HG21      ILE 238  -1.243   1.070  11.643
 1773   2HG2  ILE 238          HG22      ILE 238  -0.071   0.572  12.854
 1774   3HG2  ILE 238          HG23      ILE 238   0.313   0.426  11.151
 1775   1HD1  ILE 238          HD11      ILE 238   2.194   1.229  10.511
 1776   2HD1  ILE 238          HD12      ILE 238   2.960   2.784  10.258
 1777   3HD1  ILE 238          HD13      ILE 238   2.031   2.039   8.959
 1778    H    SER 239           HN       SER 239   0.503   3.480  14.711
 1779    HA   SER 239           HA       SER 239  -0.845   1.475  16.146
 1780   1HB   SER 239          HB2       SER 239   0.250   4.062  17.285
 1781   2HB   SER 239          HB1       SER 239  -0.014   2.558  18.165
 1782    HG   SER 239           HG       SER 239   2.085   3.316  16.665
 1783    H    LYS 240           HN       LYS 240  -1.730   4.849  15.593
 1784    HA   LYS 240           HA       LYS 240  -3.973   4.832  17.428
 1785   1HB   LYS 240          HB2       LYS 240  -3.232   6.616  15.104
 1786   2HB   LYS 240          HB1       LYS 240  -4.662   6.882  16.101
 1787   1HG   LYS 240          HG2       LYS 240  -3.139   6.870  18.123
 1788   2HG   LYS 240          HG1       LYS 240  -1.772   6.875  17.006
 1789   1HD   LYS 240          HD2       LYS 240  -3.147   8.919  15.952
 1790   2HD   LYS 240          HD1       LYS 240  -3.735   9.038  17.611
 1791   1HE   LYS 240          HE2       LYS 240  -1.411   9.108  18.436
 1792   2HE   LYS 240          HE1       LYS 240  -0.818   8.987  16.780
 1793   1HZ   LYS 240          HZ1       LYS 240  -1.727  11.072  16.240
 1794   2HZ   LYS 240          HZ2       LYS 240  -0.955  11.291  17.739
 1795   3HZ   LYS 240          HZ3       LYS 240  -2.647  11.142  17.664
 1796    H    ARG 241           HN       ARG 241  -3.756   4.307  13.847
 1797    HA   ARG 241           HA       ARG 241  -6.589   4.034  13.606
 1798   1HB   ARG 241          HB2       ARG 241  -4.340   3.047  11.840
 1799   2HB   ARG 241          HB1       ARG 241  -6.047   3.028  11.397
 1800   1HG   ARG 241          HG2       ARG 241  -6.132   5.494  11.746
 1801   2HG   ARG 241          HG1       ARG 241  -4.397   5.481  12.068
 1802   1HD   ARG 241          HD2       ARG 241  -4.068   4.420   9.803
 1803   2HD   ARG 241          HD1       ARG 241  -5.782   4.696   9.490
 1804    HE   ARG 241           HE       ARG 241  -4.841   7.189  10.240
 1805   1HH1  ARG 241          HH21      ARG 241  -3.971   4.773   7.939
 1806   2HH1  ARG 241          HH22      ARG 241  -3.342   5.905   6.790
 1807   1HH2  ARG 241          HH11      ARG 241  -4.024   8.681   8.750
 1808   2HH2  ARG 241          HH12      ARG 241  -3.371   8.119   7.250
 1809    H    LEU 242           HN       LEU 242  -3.965   1.714  14.137
 1810    HA   LEU 242           HA       LEU 242  -5.532  -0.655  13.827
 1811   1HB   LEU 242          HB2       LEU 242  -3.146  -0.114  15.624
 1812   2HB   LEU 242          HB1       LEU 242  -3.805  -1.716  15.290
 1813    HG   LEU 242           HG       LEU 242  -2.723   0.207  13.209
 1814   1HD1  LEU 242          HD11      LEU 242  -0.941  -1.530  12.975
 1815   2HD1  LEU 242          HD12      LEU 242  -1.617  -2.366  14.373
 1816   3HD1  LEU 242          HD13      LEU 242  -0.931  -0.752  14.558
 1817   1HD2  LEU 242          HD21      LEU 242  -4.349  -1.063  12.089
 1818   2HD2  LEU 242          HD22      LEU 242  -4.058  -2.489  13.088
 1819   3HD2  LEU 242          HD23      LEU 242  -2.891  -2.025  11.851
 1820    H    GLY 243           HN       GLY 243  -4.928   1.446  16.647
 1821   1HA   GLY 243          HA2       GLY 243  -6.402  -0.152  18.509
 1822   2HA   GLY 243          HA1       GLY 243  -6.092   1.578  18.684
 1823    H    ALA 244           HN       ALA 244  -7.361   2.452  16.275
 1824    HA   ALA 244           HA       ALA 244 -10.065   2.589  17.128
 1825   1HB   ALA 244          HB1       ALA 244  -8.886   3.171  14.403
 1826   2HB   ALA 244          HB2       ALA 244  -8.979   4.317  15.739
 1827   3HB   ALA 244          HB3       ALA 244 -10.458   3.713  14.992
 1828    H    GLU 245           HN       GLU 245  -8.458   0.714  14.564
 1829    HA   GLU 245           HA       GLU 245 -10.852  -0.571  13.676
 1830   1HB   GLU 245          HB2       GLU 245  -8.797  -0.404  12.304
 1831   2HB   GLU 245          HB1       GLU 245  -7.977  -1.485  13.432
 1832   1HG   GLU 245          HG2       GLU 245  -9.716  -3.217  12.977
 1833   2HG   GLU 245          HG1       GLU 245 -10.428  -2.143  11.772
 1834    H    TRP 246           HN       TRP 246  -8.321  -1.438  15.994
 1835    HA   TRP 246           HA       TRP 246  -9.161  -4.097  16.537
 1836   1HB   TRP 246          HB2       TRP 246  -7.026  -3.298  17.325
 1837   2HB   TRP 246          HB1       TRP 246  -7.796  -2.053  18.307
 1838    HD1  TRP 246           HD1      TRP 246  -8.551  -2.699  20.678
 1839    HE1  TRP 246           HE1      TRP 246  -8.535  -4.879  22.055
 1840    HE3  TRP 246           HE3      TRP 246  -7.290  -6.041  17.018
 1841    HZ2  TRP 246           HZ2      TRP 246  -8.047  -7.680  21.659
 1842    HZ3  TRP 246           HZ3      TRP 246  -7.062  -8.458  17.545
 1843    HH2  TRP 246           HH2      TRP 246  -7.435  -9.279  19.856
 1844    H    LYS 247           HN       LYS 247 -10.276  -1.004  17.873
 1845    HA   LYS 247           HA       LYS 247 -11.926  -2.218  19.909
 1846   1HB   LYS 247          HB2       LYS 247 -12.020   0.518  18.639
 1847   2HB   LYS 247          HB1       LYS 247 -13.079   0.014  19.958
 1848   1HG   LYS 247          HG2       LYS 247 -11.100  -0.508  21.336
 1849   2HG   LYS 247          HG1       LYS 247 -10.054   0.040  20.035
 1850   1HD   LYS 247          HD2       LYS 247 -11.158   2.279  20.143
 1851   2HD   LYS 247          HD1       LYS 247 -12.086   1.709  21.533
 1852   1HE   LYS 247          HE2       LYS 247  -9.819   1.110  22.591
 1853   2HE   LYS 247          HE1       LYS 247  -9.119   2.084  21.303
 1854   1HZ   LYS 247          HZ1       LYS 247 -10.574   3.926  22.039
 1855   2HZ   LYS 247          HZ2       LYS 247  -9.428   3.460  23.204
 1856   3HZ   LYS 247          HZ3       LYS 247 -11.049   2.978  23.362
 1857    H    LEU 248           HN       LEU 248 -12.301  -2.008  16.493
 1858    HA   LEU 248           HA       LEU 248 -15.231  -2.071  16.673
 1859   1HB   LEU 248          HB2       LEU 248 -13.431  -2.158  14.243
 1860   2HB   LEU 248          HB1       LEU 248 -15.178  -1.917  14.243
 1861    HG   LEU 248           HG       LEU 248 -13.107  -0.077  15.472
 1862   1HD1  LEU 248          HD11      LEU 248 -13.280   0.100  13.030
 1863   2HD1  LEU 248          HD12      LEU 248 -13.995   1.523  13.789
 1864   3HD1  LEU 248          HD13      LEU 248 -15.034   0.249  13.150
 1865   1HD2  LEU 248          HD21      LEU 248 -15.248   1.372  15.759
 1866   2HD2  LEU 248          HD22      LEU 248 -14.967   0.073  16.918
 1867   3HD2  LEU 248          HD23      LEU 248 -16.121  -0.152  15.603
 1868    H    LEU 249           HN       LEU 249 -12.734  -4.364  16.739
 1869    HA   LEU 249           HA       LEU 249 -14.020  -6.413  15.126
 1870   1HB   LEU 249          HB2       LEU 249 -12.010  -6.748  17.376
 1871   2HB   LEU 249          HB1       LEU 249 -12.395  -7.937  16.131
 1872    HG   LEU 249           HG       LEU 249 -11.275  -5.178  15.558
 1873   1HD1  LEU 249          HD11      LEU 249  -9.819  -7.825  15.398
 1874   2HD1  LEU 249          HD12      LEU 249  -9.739  -6.785  16.820
 1875   3HD1  LEU 249          HD13      LEU 249  -9.136  -6.205  15.266
 1876   1HD2  LEU 249          HD21      LEU 249 -12.459  -5.974  13.649
 1877   2HD2  LEU 249          HD22      LEU 249 -11.889  -7.625  13.889
 1878   3HD2  LEU 249          HD23      LEU 249 -10.771  -6.378  13.338
 1879    H    SER 250           HN       SER 250 -15.262  -8.241  15.947
 1880    HA   SER 250           HA       SER 250 -16.796  -7.572  18.332
 1881   1HB   SER 250          HB2       SER 250 -18.243  -9.370  17.681
 1882   2HB   SER 250          HB1       SER 250 -17.813  -8.495  16.212
 1883    HG   SER 250           HG       SER 250 -15.943 -10.299  16.599
 1884    H    GLU 251           HN       GLU 251 -17.214  -9.445  19.955
 1885    HA   GLU 251           HA       GLU 251 -14.689 -10.255  21.060
 1886   1HB   GLU 251          HB2       GLU 251 -16.785  -9.915  22.389
 1887   2HB   GLU 251          HB1       GLU 251 -17.433 -11.391  21.671
 1888   1HG   GLU 251          HG2       GLU 251 -15.489 -12.654  22.575
 1889   2HG   GLU 251          HG1       GLU 251 -14.919 -11.176  23.353
 1890    H    THR 252           HN       THR 252 -17.135 -11.965  19.102
 1891    HA   THR 252           HA       THR 252 -15.947 -14.524  19.299
 1892    HB   THR 252           HB       THR 252 -17.448 -13.349  16.949
 1893    HG1  THR 252           HG1      THR 252 -19.247 -14.259  18.015
 1894   1HG2  THR 252          HG21      THR 252 -18.123 -15.842  16.791
 1895   2HG2  THR 252          HG22      THR 252 -16.728 -16.141  17.829
 1896   3HG2  THR 252          HG23      THR 252 -16.506 -15.395  16.248
 1897    H    GLU 253           HN       GLU 253 -15.434 -11.860  17.038
 1898    HA   GLU 253           HA       GLU 253 -13.446 -13.253  15.462
 1899   1HB   GLU 253          HB2       GLU 253 -14.078 -10.310  15.805
 1900   2HB   GLU 253          HB1       GLU 253 -12.880 -10.923  14.665
 1901   1HG   GLU 253          HG2       GLU 253 -14.710 -12.393  13.698
 1902   2HG   GLU 253          HG1       GLU 253 -15.853 -11.485  14.688
 1903    H    LYS 254           HN       LYS 254 -13.330 -11.122  18.300
 1904    HA   LYS 254           HA       LYS 254 -10.418 -10.994  18.322
 1905   1HB   LYS 254          HB2       LYS 254 -12.526 -10.358  20.397
 1906   2HB   LYS 254          HB1       LYS 254 -10.809 -10.081  20.652
 1907   1HG   LYS 254          HG2       LYS 254 -10.701  -8.504  18.850
 1908   2HG   LYS 254          HG1       LYS 254 -12.318  -8.926  18.298
 1909   1HD   LYS 254          HD2       LYS 254 -13.226  -7.361  19.671
 1910   2HD   LYS 254          HD1       LYS 254 -12.516  -8.143  21.077
 1911   1HE   LYS 254          HE2       LYS 254 -10.383  -6.923  20.570
 1912   2HE   LYS 254          HE1       LYS 254 -11.236  -6.022  19.337
 1913   1HZ   LYS 254          HZ1       LYS 254 -12.806  -5.913  21.597
 1914   2HZ   LYS 254          HZ2       LYS 254 -11.891  -4.651  20.920
 1915   3HZ   LYS 254          HZ3       LYS 254 -11.221  -5.634  22.133
 1916    H    ARG 255           HN       ARG 255 -12.856 -13.136  19.721
 1917    HA   ARG 255           HA       ARG 255 -11.554 -14.322  21.802
 1918   1HB   ARG 255          HB2       ARG 255 -13.810 -14.873  20.392
 1919   2HB   ARG 255          HB1       ARG 255 -12.789 -16.235  19.926
 1920   1HG   ARG 255          HG2       ARG 255 -13.626 -17.119  21.870
 1921   2HG   ARG 255          HG1       ARG 255 -12.285 -16.212  22.571
 1922   1HD   ARG 255          HD2       ARG 255 -14.057 -14.242  22.588
 1923   2HD   ARG 255          HD1       ARG 255 -15.210 -15.575  22.577
 1924    HE   ARG 255           HE       ARG 255 -13.434 -16.259  24.590
 1925   1HH1  ARG 255          HH21      ARG 255 -15.348 -13.512  23.769
 1926   2HH1  ARG 255          HH22      ARG 255 -15.583 -13.016  25.412
 1927   1HH2  ARG 255          HH11      ARG 255 -13.730 -15.629  26.741
 1928   2HH2  ARG 255          HH12      ARG 255 -14.666 -14.215  27.095
 1929    HA   PRO 256           HA       PRO 256  -9.286 -17.469  18.785
 1930   1HB   PRO 256          HB2       PRO 256  -8.571 -16.056  16.428
 1931   2HB   PRO 256          HB1       PRO 256  -9.691 -17.422  16.557
 1932   1HG   PRO 256          HG2       PRO 256 -10.255 -14.536  16.362
 1933   2HG   PRO 256          HG1       PRO 256 -11.239 -15.921  15.865
 1934   1HD   PRO 256          HD2       PRO 256 -11.833 -14.422  18.059
 1935   2HD   PRO 256          HD1       PRO 256 -12.204 -16.160  17.962
 1936    H    PHE 257           HN       PHE 257  -8.694 -13.967  18.819
 1937    HA   PHE 257           HA       PHE 257  -5.777 -14.330  18.873
 1938   1HB   PHE 257          HB2       PHE 257  -7.542 -11.894  19.241
 1939   2HB   PHE 257          HB1       PHE 257  -5.780 -11.845  19.261
 1940    HD1  PHE 257           HD1      PHE 257  -8.757 -12.065  17.189
 1941    HD2  PHE 257           HD2      PHE 257  -4.490 -12.564  17.222
 1942    HE1  PHE 257           HE1      PHE 257  -8.729 -11.989  14.710
 1943    HE2  PHE 257           HE2      PHE 257  -4.463 -12.487  14.743
 1944    HZ   PHE 257           HZ       PHE 257  -6.582 -12.201  13.487
 1945    H    ILE 258           HN       ILE 258  -8.406 -13.809  21.191
 1946    HA   ILE 258           HA       ILE 258  -6.663 -13.210  23.390
 1947    HB   ILE 258           HB       ILE 258  -9.512 -14.265  23.255
 1948   1HG1  ILE 258          HG12      ILE 258  -8.490 -11.491  23.975
 1949   2HG1  ILE 258          HG11      ILE 258  -8.979 -11.937  22.346
 1950   1HG2  ILE 258          HG21      ILE 258  -8.111 -14.713  25.391
 1951   2HG2  ILE 258          HG22      ILE 258  -9.684 -14.000  25.589
 1952   3HG2  ILE 258          HG23      ILE 258  -8.242 -12.992  25.679
 1953   1HD1  ILE 258          HD11      ILE 258 -10.708 -10.843  24.098
 1954   2HD1  ILE 258          HD12      ILE 258 -10.932 -12.527  24.540
 1955   3HD1  ILE 258          HD13      ILE 258 -11.227 -12.013  22.888
 1956    H    ASP 259           HN       ASP 259  -8.224 -16.209  22.204
 1957    HA   ASP 259           HA       ASP 259  -7.285 -17.878  24.237
 1958   1HB   ASP 259          HB2       ASP 259  -7.897 -18.429  21.331
 1959   2HB   ASP 259          HB1       ASP 259  -7.560 -19.685  22.523
 1960    H    GLU 260           HN       GLU 260  -5.762 -16.883  21.172
 1961    HA   GLU 260           HA       GLU 260  -3.481 -18.600  21.427
 1962   1HB   GLU 260          HB2       GLU 260  -4.114 -17.388  19.332
 1963   2HB   GLU 260          HB1       GLU 260  -3.623 -15.877  20.096
 1964   1HG   GLU 260          HG2       GLU 260  -1.377 -16.403  20.016
 1965   2HG   GLU 260          HG1       GLU 260  -1.672 -18.138  20.118
 1966    H    ALA 261           HN       ALA 261  -4.067 -15.227  22.509
 1967    HA   ALA 261           HA       ALA 261  -1.451 -14.825  23.608
 1968   1HB   ALA 261          HB1       ALA 261  -2.911 -12.912  23.370
 1969   2HB   ALA 261          HB2       ALA 261  -2.646 -13.144  25.099
 1970   3HB   ALA 261          HB3       ALA 261  -4.156 -13.674  24.360
 1971    H    LYS 262           HN       LYS 262  -4.433 -16.261  24.851
 1972    HA   LYS 262           HA       LYS 262  -3.537 -16.688  27.504
 1973   1HB   LYS 262          HB2       LYS 262  -5.593 -18.122  25.829
 1974   1HB   LYS 262          HB2       LYS 262  -5.618 -18.049  25.813
 1975   2HB   LYS 262          HB1       LYS 262  -5.300 -18.486  27.524
 1976   2HB   LYS 262          HB1       LYS 262  -5.291 -18.538  27.469
 1977   1HG   LYS 262          HG2       LYS 262  -5.842 -15.653  26.628
 1978   1HG   LYS 262          HG2       LYS 262  -5.758 -16.251  28.251
 1979   2HG   LYS 262          HG1       LYS 262  -7.170 -16.769  26.936
 1980   2HG   LYS 262          HG1       LYS 262  -6.068 -15.740  26.594
 1981   1HD   LYS 262          HD2       LYS 262  -6.229 -17.183  29.222
 1982   1HD   LYS 262          HD2       LYS 262  -7.908 -17.405  26.449
 1983   2HD   LYS 262          HD1       LYS 262  -5.024 -15.940  28.916
 1984   2HD   LYS 262          HD1       LYS 262  -7.631 -17.827  28.133
 1985   1HE   LYS 262          HE2       LYS 262  -6.792 -14.277  28.565
 1986   1HE   LYS 262          HE2       LYS 262  -8.176 -14.990  27.330
 1987   2HE   LYS 262          HE1       LYS 262  -8.015 -15.514  28.861
 1988   2HE   LYS 262          HE1       LYS 262  -9.492 -16.099  27.642
 1989   1HZ   LYS 262          HZ1       LYS 262  -6.943 -13.947  30.759
 1990   1HZ   LYS 262          HZ1       LYS 262  -8.320 -14.564  29.459
 1991   2HZ   LYS 262          HZ2       LYS 262  -5.973 -15.336  30.889
 1992   2HZ   LYS 262          HZ2       LYS 262  -7.375 -15.967  29.620
 1993   3HZ   LYS 262          HZ3       LYS 262  -7.660 -15.456  31.053
 1994   3HZ   LYS 262          HZ3       LYS 262  -9.059 -16.044  29.829
 1995    H    ARG 263           HN       ARG 263  -3.318 -18.658  24.553
 1996    HA   ARG 263           HA       ARG 263  -2.103 -20.907  25.822
 1997   1HB   ARG 263          HB2       ARG 263  -2.040 -19.961  22.950
 1998   2HB   ARG 263          HB1       ARG 263  -1.448 -21.528  23.505
 1999   1HG   ARG 263          HG2       ARG 263  -3.713 -22.022  24.421
 2000   2HG   ARG 263          HG1       ARG 263  -4.288 -20.495  23.751
 2001   1HD   ARG 263          HD2       ARG 263  -3.517 -21.296  21.485
 2002   2HD   ARG 263          HD1       ARG 263  -3.193 -22.868  22.216
 2003    HE   ARG 263           HE       ARG 263  -5.822 -22.343  22.918
 2004   1HH1  ARG 263          HH21      ARG 263  -3.969 -22.402  20.010
 2005   2HH1  ARG 263          HH22      ARG 263  -5.302 -22.883  19.014
 2006   1HH2  ARG 263          HH11      ARG 263  -7.572 -22.972  21.635
 2007   2HH2  ARG 263          HH12      ARG 263  -7.342 -23.205  19.933
 2008    H    LEU 264           HN       LEU 264  -0.823 -18.045  24.185
 2009    HA   LEU 264           HA       LEU 264   1.950 -18.785  24.342
 2010   1HB   LEU 264          HB2       LEU 264   0.678 -16.026  24.356
 2011   2HB   LEU 264          HB1       LEU 264   2.384 -16.361  24.055
 2012    HG   LEU 264           HG       LEU 264   0.260 -17.710  22.402
 2013   1HD1  LEU 264          HD11      LEU 264   0.925 -15.720  20.765
 2014   2HD1  LEU 264          HD12      LEU 264   1.186 -14.865  22.285
 2015   3HD1  LEU 264          HD13      LEU 264  -0.399 -15.542  21.917
 2016   1HD2  LEU 264          HD21      LEU 264   2.125 -17.664  20.735
 2017   2HD2  LEU 264          HD22      LEU 264   2.560 -18.523  22.212
 2018   3HD2  LEU 264          HD23      LEU 264   3.145 -16.883  21.942
 2019    H    ARG 265           HN       ARG 265  -0.296 -17.202  26.597
 2020    HA   ARG 265           HA       ARG 265   1.697 -16.505  28.516
 2021   1HB   ARG 265          HB2       ARG 265  -1.302 -16.892  28.638
 2022   1HB   ARG 265          HB2       ARG 265  -1.302 -16.877  28.618
 2023   2HB   ARG 265          HB1       ARG 265  -0.364 -16.480  30.075
 2024   2HB   ARG 265          HB1       ARG 265  -0.378 -16.502  30.074
 2025   1HG   ARG 265          HG2       ARG 265   0.434 -14.464  29.061
 2026   1HG   ARG 265          HG2       ARG 265   0.465 -14.481  29.082
 2027   2HG   ARG 265          HG1       ARG 265  -0.276 -14.879  27.507
 2028   2HG   ARG 265          HG1       ARG 265  -0.283 -14.853  27.537
 2029   1HD   ARG 265          HD2       ARG 265  -1.696 -13.257  28.666
 2030   1HD   ARG 265          HD2       ARG 265  -2.511 -14.771  28.674
 2031   2HD   ARG 265          HD1       ARG 265  -2.528 -14.815  28.582
 2032   2HD   ARG 265          HD1       ARG 265  -1.696 -14.263  30.152
 2033    HE   ARG 265           HE       ARG 265  -1.187 -14.930  30.991
 2034    HE   ARG 265           HE       ARG 265  -0.831 -12.449  28.223
 2035   1HH1  ARG 265          HH21      ARG 265  -3.342 -12.722  29.456
 2036   1HH1  ARG 265          HH11      ARG 265  -1.914 -10.495  27.843
 2037   2HH1  ARG 265          HH22      ARG 265  -4.034 -12.166  30.942
 2038   2HH1  ARG 265          HH12      ARG 265  -3.592 -10.361  28.251
 2039   1HH2  ARG 265          HH11      ARG 265  -2.063 -14.219  32.927
 2040   1HH2  ARG 265          HH21      ARG 265  -3.835 -13.610  29.439
 2041   2HH2  ARG 265          HH12      ARG 265  -3.308 -13.015  32.914
 2042   2HH2  ARG 265          HH22      ARG 265  -4.680 -12.125  29.154
 2043    H    ALA 266           HN       ALA 266  -0.423 -19.344  28.138
 2044    HA   ALA 266           HA       ALA 266   0.463 -20.613  30.583
 2045   1HB   ALA 266          HB1       ALA 266  -0.779 -21.766  28.064
 2046   2HB   ALA 266          HB2       ALA 266  -1.630 -21.307  29.539
 2047   3HB   ALA 266          HB3       ALA 266  -0.520 -22.677  29.552
 2048    H    LEU 267           HN       LEU 267   1.397 -20.943  27.141
 2049    HA   LEU 267           HA       LEU 267   3.414 -22.897  27.620
 2050   1HB   LEU 267          HB2       LEU 267   2.466 -22.369  25.384
 2051   2HB   LEU 267          HB1       LEU 267   3.311 -20.822  25.421
 2052    HG   LEU 267           HG       LEU 267   5.452 -22.170  25.818
 2053   1HD1  LEU 267          HD11      LEU 267   3.439 -24.327  25.330
 2054   2HD1  LEU 267          HD12      LEU 267   4.844 -24.325  26.396
 2055   3HD1  LEU 267          HD13      LEU 267   5.056 -24.538  24.658
 2056   1HD2  LEU 267          HD21      LEU 267   4.011 -22.656  23.192
 2057   2HD2  LEU 267          HD22      LEU 267   5.755 -22.569  23.441
 2058   3HD2  LEU 267          HD23      LEU 267   4.762 -21.123  23.634
 2059    H    HIS 268           HN       HIS 268   3.434 -19.379  27.652
 2060    HA   HIS 268           HA       HIS 268   6.280 -19.044  27.932
 2061   1HB   HIS 268          HB2       HIS 268   4.711 -17.173  27.405
 2062   2HB   HIS 268          HB1       HIS 268   4.054 -17.299  29.037
 2063    HD1  HIS 268           HD1      HIS 268   7.425 -16.725  27.343
 2064    HD2  HIS 268           HD2      HIS 268   5.449 -15.800  30.899
 2065    HE1  HIS 268           HE1      HIS 268   8.968 -15.192  28.643
 2066    HE2  HIS 268           HE2      HIS 268   7.776 -14.624  30.810
 2067    H    MET 269           HN       MET 269   3.620 -19.570  30.234
 2068    HA   MET 269           HA       MET 269   5.201 -19.307  32.583
 2069   1HB   MET 269          HB2       MET 269   2.752 -19.168  32.578
 2070   2HB   MET 269          HB1       MET 269   2.654 -20.860  32.090
 2071   1HG   MET 269          HG2       MET 269   3.998 -21.390  34.221
 2072   2HG   MET 269          HG1       MET 269   3.667 -19.736  34.698
 2073   1HE   MET 269          HE1       MET 269   0.150 -19.530  35.554
 2074   2HE   MET 269          HE2       MET 269   0.833 -18.935  34.038
 2075   3HE   MET 269          HE3       MET 269   1.771 -18.852  35.518
 2076    H    LYS 270           HN       LYS 270   4.687 -21.956  30.341
 2077    HA   LYS 270           HA       LYS 270   5.613 -23.980  32.145
 2078   1HB   LYS 270          HB2       LYS 270   4.243 -24.109  29.895
 2079   2HB   LYS 270          HB1       LYS 270   5.846 -24.265  29.178
 2080   1HG   LYS 270          HG2       LYS 270   6.342 -26.194  30.566
 2081   2HG   LYS 270          HG1       LYS 270   4.842 -25.992  31.469
 2082   1HD   LYS 270          HD2       LYS 270   3.586 -26.325  29.318
 2083   2HD   LYS 270          HD1       LYS 270   5.120 -26.741  28.550
 2084   1HE   LYS 270          HE2       LYS 270   5.427 -28.499  30.355
 2085   2HE   LYS 270          HE1       LYS 270   3.770 -28.162  30.854
 2086   1HZ   LYS 270          HZ1       LYS 270   3.950 -28.550  28.045
 2087   2HZ   LYS 270          HZ2       LYS 270   2.974 -29.348  29.184
 2088   3HZ   LYS 270          HZ3       LYS 270   4.555 -29.892  28.885
 2089    H    GLU 271           HN       GLU 271   7.151 -21.842  29.805
 2090    HA   GLU 271           HA       GLU 271   9.717 -23.106  29.946
 2091   1HB   GLU 271          HB2       GLU 271   8.908 -20.291  29.185
 2092   2HB   GLU 271          HB1       GLU 271  10.531 -20.956  28.983
 2093   1HG   GLU 271          HG2       GLU 271   9.595 -22.758  27.554
 2094   2HG   GLU 271          HG1       GLU 271   7.996 -22.033  27.715
 2095    H    HIS 272           HN       HIS 272   8.210 -20.391  31.693
 2096    HA   HIS 272           HA       HIS 272  10.364 -20.657  33.705
 2097   1HB   HIS 272          HB2       HIS 272   9.064 -18.084  32.768
 2098   2HB   HIS 272          HB1       HIS 272  10.236 -18.223  34.079
 2099    HD1  HIS 272           HD1      HIS 272  12.613 -19.401  33.285
 2100    HD2  HIS 272           HD2      HIS 272  10.252 -17.660  30.318
 2101    HE1  HIS 272           HE1      HIS 272  14.124 -19.046  31.281
 2102    HE2  HIS 272           HE2      HIS 272  12.696 -17.990  29.471
 2103    HA   PRO 273           HA       PRO 273   6.129 -21.353  35.510
 2104   1HB   PRO 273          HB2       PRO 273   7.661 -23.159  37.275
 2105   2HB   PRO 273          HB1       PRO 273   6.210 -23.485  36.313
 2106   1HG   PRO 273          HG2       PRO 273   8.623 -24.459  35.657
 2107   2HG   PRO 273          HG1       PRO 273   7.403 -24.031  34.447
 2108   1HD   PRO 273          HD2       PRO 273   9.876 -22.540  35.236
 2109   2HD   PRO 273          HD1       PRO 273   9.100 -22.680  33.641
 2110    H    ASP 274           HN       ASP 274   9.175 -20.264  36.830
 2111    HA   ASP 274           HA       ASP 274   7.835 -19.471  39.306
 2112   1HB   ASP 274          HB2       ASP 274  10.761 -19.700  38.586
 2113   2HB   ASP 274          HB1       ASP 274  10.160 -19.084  40.125
 2114    H    TYR 275           HN       TYR 275   8.238 -18.197  36.376
 2115    HA   TYR 275           HA       TYR 275   9.513 -15.690  36.836
 2116   1HB   TYR 275          HB2       TYR 275   9.081 -16.515  34.578
 2117   2HB   TYR 275          HB1       TYR 275   7.341 -16.430  34.858
 2118    HD1  TYR 275           HD1      TYR 275  10.444 -14.421  34.510
 2119    HD2  TYR 275           HD2      TYR 275   6.156 -14.336  34.771
 2120    HE1  TYR 275           HE1      TYR 275  10.449 -12.034  33.835
 2121    HE2  TYR 275           HE2      TYR 275   6.162 -11.950  34.095
 2122    HH   TYR 275           HH       TYR 275   8.579 -10.463  32.625
 2123    H    LYS 276           HN       LYS 276   8.733 -13.732  37.505
 2124    HA   LYS 276           HA       LYS 276   5.859 -13.560  38.285
 2125   1HB   LYS 276          HB2       LYS 276   8.252 -12.833  39.983
 2126   1HB   LYS 276          HB2       LYS 276   8.230 -12.745  39.982
 2127   1HB   LYS 276          HB2       LYS 276   8.260 -12.872  39.983
 2128   2HB   LYS 276          HB1       LYS 276   6.614 -12.282  40.331
 2129   2HB   LYS 276          HB1       LYS 276   6.551 -12.347  40.351
 2130   2HB   LYS 276          HB1       LYS 276   6.645 -12.252  40.306
 2131   1HG   LYS 276          HG2       LYS 276   5.858 -14.647  40.413
 2132   1HG   LYS 276          HG2       LYS 276   7.637 -15.171  40.030
 2133   1HG   LYS 276          HG2       LYS 276   5.780 -14.539  40.511
 2134   2HG   LYS 276          HG1       LYS 276   7.520 -15.169  40.135
 2135   2HG   LYS 276          HG1       LYS 276   7.325 -14.385  41.573
 2136   2HG   LYS 276          HG1       LYS 276   7.371 -15.188  40.114
 2137   1HD   LYS 276          HD2       LYS 276   8.231 -14.020  42.200
 2138   1HD   LYS 276          HD2       LYS 276   4.942 -14.250  41.084
 2139   1HD   LYS 276          HD2       LYS 276   7.234 -15.270  42.494
 2140   2HD   LYS 276          HD1       LYS 276   6.569 -13.500  42.483
 2141   2HD   LYS 276          HD1       LYS 276   5.189 -14.882  39.472
 2142   2HD   LYS 276          HD1       LYS 276   8.256 -13.881  42.128
 2143   1HE   LYS 276          HE2       LYS 276   5.844 -15.846  42.620
 2144   1HE   LYS 276          HE2       LYS 276   6.105 -16.979  40.457
 2145   1HE   LYS 276          HE2       LYS 276   6.414 -12.348  42.499
 2146   2HE   LYS 276          HE1       LYS 276   7.494 -16.383  42.306
 2147   2HE   LYS 276          HE1       LYS 276   5.634 -16.369  42.046
 2148   2HE   LYS 276          HE1       LYS 276   5.272 -13.682  42.636
 2149   1HZ   LYS 276          HZ1       LYS 276   8.010 -14.857  44.334
 2150   1HZ   LYS 276          HZ1       LYS 276   3.368 -15.998  40.878
 2151   1HZ   LYS 276          HZ1       LYS 276   6.830 -14.422  44.533
 2152   2HZ   LYS 276          HZ2       LYS 276   7.434 -16.437  44.575
 2153   2HZ   LYS 276          HZ2       LYS 276   3.781 -17.552  41.428
 2154   2HZ   LYS 276          HZ2       LYS 276   5.729 -13.160  44.816
 2155   3HZ   LYS 276          HZ3       LYS 276   6.375 -15.115  44.704
 2156   3HZ   LYS 276          HZ3       LYS 276   3.934 -17.161  39.781
 2157   3HZ   LYS 276          HZ3       LYS 276   7.364 -12.812  44.515
 2158    H    TYR 277           HN       TYR 277   4.939 -11.565  37.849
 2159    HA   TYR 277           HA       TYR 277   6.513  -9.698  36.228
 2160   1HB   TYR 277          HB2       TYR 277   4.173 -10.046  35.638
 2161   2HB   TYR 277          HB1       TYR 277   3.658  -9.614  37.269
 2162    HD1  TYR 277           HD1      TYR 277   6.163  -8.065  34.951
 2163    HD2  TYR 277           HD2      TYR 277   2.511  -7.582  37.160
 2164    HE1  TYR 277           HE1      TYR 277   6.080  -5.675  34.291
 2165    HE2  TYR 277           HE2      TYR 277   2.428  -5.193  36.500
 2166    HH   TYR 277           HH       TYR 277   3.720  -3.472  35.660
 2167    H    ARG 278           HN       ARG 278   7.812  -8.243  37.227
 2168    HA   ARG 278           HA       ARG 278   6.913  -7.105  39.836
 2169   1HB   ARG 278          HB2       ARG 278   9.773  -7.820  39.118
 2170   2HB   ARG 278          HB1       ARG 278   9.186  -7.229  40.676
 2171   1HG   ARG 278          HG2       ARG 278   7.688  -9.257  40.789
 2172   2HG   ARG 278          HG1       ARG 278   8.508  -9.871  39.357
 2173   1HD   ARG 278          HD2       ARG 278   9.643  -9.416  42.113
 2174   2HD   ARG 278          HD1       ARG 278   9.662 -10.888  41.148
 2175    HE   ARG 278           HE       ARG 278  11.113  -9.037  39.647
 2176   1HH1  ARG 278          HH21      ARG 278  11.184 -10.320  42.849
 2177   2HH1  ARG 278          HH22      ARG 278  12.902 -10.180  43.009
 2178   1HH2  ARG 278          HH11      ARG 278  13.356  -8.844  39.842
 2179   2HH2  ARG 278          HH12      ARG 278  14.132  -9.345  41.308
 2180    HA   PRO 279           HA       PRO 279   7.713  -3.753  36.765
 2181   1HB   PRO 279          HB2       PRO 279   5.842  -2.016  37.760
 2182   2HB   PRO 279          HB1       PRO 279   5.491  -3.283  36.589
 2183   1HG   PRO 279          HG2       PRO 279   5.034  -3.262  39.526
 2184   2HG   PRO 279          HG1       PRO 279   4.001  -3.892  38.229
 2185   1HD   PRO 279          HD2       PRO 279   5.554  -5.498  39.773
 2186   2HD   PRO 279          HD1       PRO 279   5.165  -5.900  38.087
 2187    H    ARG 280           HN       ARG 280   8.792  -1.740  37.022
 2188    HA   ARG 280           HA       ARG 280   9.992  -1.365  39.694
 2189   1HB   ARG 280          HB2       ARG 280  11.347  -1.272  37.518
 2190   2HB   ARG 280          HB1       ARG 280  10.574   0.292  37.230
 2191   1HG   ARG 280          HG2       ARG 280  11.324   0.898  39.623
 2192   2HG   ARG 280          HG1       ARG 280  12.389  -0.500  39.512
 2193   1HD   ARG 280          HD2       ARG 280  12.650   1.087  37.123
 2194   2HD   ARG 280          HD1       ARG 280  12.860   2.116  38.536
 2195    HE   ARG 280           HE       ARG 280  14.360  -0.206  39.047
 2196   1HH1  ARG 280          HH21      ARG 280  14.212   2.211  36.587
 2197   2HH1  ARG 280          HH22      ARG 280  15.914   2.171  36.271
 2198   1HH2  ARG 280          HH11      ARG 280  16.563  -0.265  38.650
 2199   2HH2  ARG 280          HH12      ARG 280  17.247   0.771  37.441
 2200    H    ARG 281           HN       ARG 281   9.243   0.096  41.084
 2201    HA   ARG 281           HA       ARG 281   7.125   1.955  40.250
 2202   1HB   ARG 281          HB2       ARG 281   7.355   0.588  42.485
 2203   2HB   ARG 281          HB1       ARG 281   8.268   1.990  43.006
 2204   1HG   ARG 281          HG2       ARG 281   6.354   3.196  43.264
 2205   2HG   ARG 281          HG1       ARG 281   5.960   3.012  41.604
 2206   1HD   ARG 281          HD2       ARG 281   4.347   1.506  42.014
 2207   2HD   ARG 281          HD1       ARG 281   5.388   0.518  43.016
 2208    HE   ARG 281           HE       ARG 281   3.344   2.022  44.024
 2209   1HH1  ARG 281          HH21      ARG 281   6.809   2.056  44.455
 2210   2HH1  ARG 281          HH22      ARG 281   6.688   2.766  46.029
 2211   1HH2  ARG 281          HH11      ARG 281   3.272   2.786  46.001
 2212   2HH2  ARG 281          HH12      ARG 281   4.682   3.188  46.900
 2213    H    LYS 282           HN       LYS 282   7.354   4.152  40.143
 2214    HA   LYS 282           HA       LYS 282  10.104   5.250  40.192
 2215   1HB   LYS 282          HB2       LYS 282   8.499   5.635  38.261
 2216   2HB   LYS 282          HB1       LYS 282   7.574   6.671  39.350
 2217   1HG   LYS 282          HG2       LYS 282   9.482   8.122  39.688
 2218   2HG   LYS 282          HG1       LYS 282  10.532   7.036  38.779
 2219   1HD   LYS 282          HD2       LYS 282   9.138   7.424  36.758
 2220   2HD   LYS 282          HD1       LYS 282   8.159   8.569  37.677
 2221   1HE   LYS 282          HE2       LYS 282  10.165   9.947  38.099
 2222   2HE   LYS 282          HE1       LYS 282  11.141   8.801  37.181
 2223   1HZ   LYS 282          HZ1       LYS 282   9.854  10.962  36.160
 2224   2HZ   LYS 282          HZ2       LYS 282   8.822   9.676  35.751
 2225   3HZ   LYS 282          HZ3       LYS 282  10.450   9.651  35.265