*HEADER    PLANT PROTEIN                           13-MAR-09   2KGQ              
*TITLE     REFINED SOLUTION STRUCTURE OF DES-PYRO GLU BRAZZEIN                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BRAZZEIN;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PENTADIPLANDRA BRAZZEANA BAILLON;               
*SOURCE   3 ORGANISM_COMMON: CLIMBING PLANT;                                     
*SOURCE   4 ORGANISM_TAXID: 43545;                                               
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET3A                                     
*KEYWDS    BRAZZEIN, SWEET PROTEIN, NMR, REFINED, RDC, DISULFIDE BOND,           
*KEYWDS   2 PYRROLIDONE CARBOXYLIC ACID, SECRETED, TASTE-MODIFYING               
*KEYWDS   3 PROTEIN, STRUCTURAL GENOMICS, PSI-2, PROTEIN STRUCTURE               
*KEYWDS   4 INITIATIVE, CENTER FOR EUKARYOTIC STRUCTURAL GENOMICS,               
*KEYWDS   5 CESG, PLANT PROTEIN                                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.C.CORNILESCU, M.TONELLI, M.L.DERIDER, J.L.MARKLEY,                  
*AUTHOR   2 F.M.ASSADI-PORTER, CENTER FOR EUKARYOTIC STRUCTURAL                  
*AUTHOR   3 GENOMICS (CESG)                                                      
*REVDAT   1   09-JUN-09 2KGQ    0                                                


assign (resid 2 and name HA ) (resid 2 and name HB# ) 2.6 2.6 0.9
assign (resid 2 and name HA ) (resid 3 and (name HB2 or name HB1 )) 4.0 4.0 1.4
assign (resid 3 and name HA ) (resid 3 and (name HB1 or name HB2 )) 3.0 3.0 1.1
assign (resid 3 and name HA ) (resid 3 and (name HB2 or name HB1 )) 2.6 2.6 0.9
assign (resid 3 and name HA ) (resid 3 and name HD# ) 3.8 3.8 1.3
assign (resid 3 and name HA ) (resid 3 and name HG# ) 2.9 2.9 1.0
assign (resid 3 and (name HB1 or name HB2 )) (resid 3 and name HG# ) 3.0 3.0 1.1
assign (resid 3 and name HE# ) (resid 3 and name HG# ) 2.8 2.8 1.0
assign (resid   3 and name HA  ) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid 3 and (name HB1 or name HB2 )) (resid 4 and name HA ) 3.7 3.7 1.3
assign (resid 3 and (name HB1 or name HB2 )) (resid 4 and name HN ) 3.8 3.8 1.3
assign (resid   3 and name HA  ) (resid   5 and name HN  )  4.1  1.4  1.4
assign (resid 4 and name HA ) (resid 4 and (name HB1 or name HB2 )) 2.7 2.7 0.9
assign (resid 4 and name HA ) (resid 4 and (name HB2 or name HB1 )) 3.0 3.0 1.0
assign (resid 4 and name HA ) (resid 4 and name HN ) 3.2 3.2 1.1
assign (resid 4 and (name HB1 or name HB2 )) (resid 4 and name HN ) 3.2 3.2 1.1
assign (resid 4 and (name HB2 or name HB1 )) (resid 4 and name HN ) 3.0 3.0 1.1
assign (resid 4 and (name HB1 or name HB2 )) (resid 5 and name HD# ) 3.5 3.5 1.2
assign (resid 4 and (name HB1 or name HB2 )) (resid 5 and (name HG2 or name HG1 )) 3.3 3.3 1.2
assign (resid 4 and (name HB1 or name HB2 )) (resid 5 and name HN ) 3.3 3.3 1.2
assign (resid 4 and (name HB2 or name HB1 )) (resid 5 and (name HG1 or name HG2 )) 3.3 3.3 1.2
assign (resid 4 and (name HB2 or name HB1 )) (resid 5 and name HN ) 3.2 3.2 1.1
assign (resid 4 and name HA ) (resid 6 and (name HG1 or name HG2 )) 3.5 3.5 1.2
assign (resid 4 and (name HB1 or name HB2 )) (resid 50 and name HA ) 4.5 4.5 1.6
assign (resid 4 and name HA ) (resid 51 and (name HB1 or name HB2 )) 3.7 3.7 1.3
assign (resid 4 and name HA ) (resid 51 and (name HB2 or name HB1 )) 2.9 2.9 1.0
assign (resid 4 and (name HB1 or name HB2 )) (resid 51 and name HN ) 3.9 3.9 1.4
assign (resid 4 and (name HB1 or name HB2 )) (resid 52 and (name HB1 or name HB2 )) 2.8 2.8 1.0
assign (resid 4 and (name HB1 or name HB2 )) (resid 52 and (name HB2 or name HB1 )) 2.8 2.8 1.0
assign (resid 4 and (name HB1 or name HB2 )) (resid 52 and name HN ) 3.4 3.4 1.2
assign (resid 5 and name HA ) (resid 5 and (name HB1 or name HB2 )) 2.9 2.9 1.0
assign (resid 5 and name HA ) (resid 5 and (name HB2 or name HB1 )) 3.1 3.1 1.1
assign (resid 5 and name HA ) (resid 5 and name HD# ) 2.5 2.5 0.9
assign (resid 5 and name HA ) (resid 5 and name HE# ) 4.1 4.1 1.4
assign (resid 5 and name HA ) (resid 5 and (name HG1 or name HG2 )) 3.4 3.4 1.2
assign (resid 5 and name HA ) (resid 5 and (name HG2 or name HG1 )) 2.8 2.8 1.0
assign (resid 5 and name HA ) (resid 5 and name HN ) 3.1 3.1 1.1
assign (resid 5 and (name HB1 or name HB2 )) (resid 5 and name HE# ) 3.9 3.9 1.4
assign (resid 5 and (name HB1 or name HB2 )) (resid 5 and (name HG1 or name HG2 )) 2.7 2.7 1.0
assign (resid 5 and (name HB1 or name HB2 )) (resid 5 and (name HG2 or name HG1 )) 3.0 3.0 1.0
assign (resid 5 and (name HB1 or name HB2 )) (resid 5 and name HN ) 3.1 3.1 1.1
assign (resid 5 and (name HB2 or name HB1 )) (resid 5 and name HE# ) 4.1 4.1 1.4
assign (resid 5 and (name HB2 or name HB1 )) (resid 5 and (name HG1 or name HG2 )) 2.6 2.6 0.9
assign (resid 5 and (name HB2 or name HB1 )) (resid 5 and name HN ) 3.4 3.4 1.2
assign (resid 5 and name HD# ) (resid 5 and name HE# ) 2.6 2.6 0.9
assign (resid 5 and name HD# ) (resid 5 and (name HG2 or name HG1 )) 2.4 2.4 0.8
assign (resid 5 and name HE# ) (resid 5 and (name HG1 or name HG2 )) 3.3 3.3 1.2
assign (resid 5 and name HE# ) (resid 5 and (name HG2 or name HG1 )) 2.8 2.8 1.0
assign (resid 5 and (name HG1 or name HG2 )) (resid 5 and name HN ) 4.0 4.0 1.4
assign (resid 5 and (name HG2 or name HG1 )) (resid 5 and name HN ) 3.8 3.8 1.3
assign (resid   5 and name HA  ) (resid   6 and name HA  )  3.4  1.2  1.2
assign (resid   5 and name HA  ) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid 5 and (name HB1 or name HB2 )) (resid 6 and name HN ) 4.2 4.2 1.5
assign (resid 5 and (name HB2 or name HB1 )) (resid 6 and name HN ) 3.7 3.7 1.3
assign (resid 5 and name HA ) (resid 48 and (name HG2# or name HD1# )) 3.2 3.2 1.1
assign (resid 5 and (name HB1 or name HB2 )) (resid 48 and (name HG2# or name HD1# )) 3.0 3.0 1.0
assign (resid 5 and (name HB2 or name HB1 )) (resid 48 and (name HG2# or name HD1# )) 2.9 2.9 1.0
assign (resid 5 and name HD# ) (resid 48 and (name HG2# or name HD1# )) 2.4 2.4 0.8
assign (resid 5 and name HE# ) (resid 48 and (name HG2# or name HD1# )) 3.7 3.7 1.3
assign (resid 5 and (name HG1 or name HG2 )) (resid 48 and (name HG2# or name HD1# )) 2.8 2.8 1.0
assign (resid 5 and (name HG2 or name HG1 )) (resid 48 and (name HG2# or name HD1# )) 3.7 3.7 1.3
assign (resid 5 and name HA ) (resid 50 and (name HB1 or name HB2 )) 4.4 4.4 1.5
assign (resid 5 and name HA ) (resid 50 and (name HB2 or name HB1 )) 4.3 4.3 1.5
assign (resid   5 and name HA  ) (resid  50 and name HN  )  3.8  1.3  1.3
assign (resid 5 and name HD# ) (resid 50 and name HA ) 3.2 3.2 1.1
assign (resid 5 and name HA ) (resid 51 and (name HD1 or name HD2 )) 4.3 4.3 1.5
assign (resid 5 and name HA ) (resid 51 and (name HE1 or name HE2 )) 4.3 4.3 1.5
assign (resid   5 and name HA  ) (resid  51 and name HN  )  3.6  1.2  1.2
assign (resid 6 and name HA ) (resid 6 and (name HB1 or name HB2 )) 2.6 2.6 0.9
assign (resid 6 and name HA ) (resid 6 and (name HB2 or name HB1 )) 3.1 3.1 1.1
assign (resid 6 and name HA ) (resid 6 and (name HD1 or name HD2 )) 3.6 3.6 1.2
assign (resid 6 and name HA ) (resid 6 and (name HD2 or name HD1 )) 3.9 3.9 1.4
assign (resid 6 and name HA ) (resid 6 and (name HG1 or name HG2 )) 2.9 2.9 1.0
assign (resid 6 and name HA ) (resid 6 and (name HG2 or name HG1 )) 3.8 3.8 1.3
assign (resid 6 and name HA ) (resid 6 and name HN ) 3.0 3.0 1.0
assign (resid 6 and (name HB1 or name HB2 )) (resid 6 and (name HD2 or name HD1 )) 3.1 3.1 1.1
assign (resid 6 and (name HB1 or name HB2 )) (resid 6 and (name HG1 or name HG2 )) 3.0 3.0 1.0
assign (resid 6 and (name HB1 or name HB2 )) (resid 6 and (name HG2 or name HG1 )) 3.3 3.3 1.1
assign (resid 6 and (name HB1 or name HB2 )) (resid 6 and name HN ) 3.5 3.5 1.2
assign (resid 6 and (name HB2 or name HB1 )) (resid 6 and (name HD2 or name HD1 )) 2.8 2.8 1.0
assign (resid 6 and (name HB2 or name HB1 )) (resid 6 and (name HG1 or name HG2 )) 3.0 3.0 1.0
assign (resid 6 and (name HB2 or name HB1 )) (resid 6 and (name HG2 or name HG1 )) 3.3 3.3 1.1
assign (resid 6 and (name HB2 or name HB1 )) (resid 6 and name HN ) 3.6 3.6 1.3
assign (resid 6 and (name HD1 or name HD2 )) (resid 6 and name HE# ) 3.3 3.3 1.1
assign (resid 6 and name HE# ) (resid 6 and (name HG1 or name HG2 )) 3.3 3.3 1.2
assign (resid 6 and name HE# ) (resid 6 and (name HG2 or name HG1 )) 3.7 3.7 1.3
assign (resid 6 and (name HG2 or name HG1 )) (resid 6 and name HN ) 4.4 4.4 1.5
assign (resid   6 and name HA  ) (resid   7 and name HA  )  4.1  1.4  1.4
assign (resid   6 and name HA  ) (resid   7 and name HB  )  3.6  1.3  1.3
assign (resid 6 and name HA ) (resid 7 and (name HG2# or name HG1# )) 3.3 3.3 1.2
assign (resid   6 and name HA  ) (resid   7 and name HN  )  2.4  0.8  0.8
assign (resid 6 and (name HB1 or name HB2 )) (resid 7 and name HA ) 4.2 4.2 1.5
assign (resid 6 and (name HB1 or name HB2 )) (resid 7 and name HN ) 3.6 3.6 1.3
assign (resid 6 and (name HB2 or name HB1 )) (resid 7 and name HN ) 3.8 3.8 1.3
assign (resid 6 and (name HG1 or name HG2 )) (resid 7 and name HN ) 4.1 4.1 1.4
assign (resid 6 and (name HG2 or name HG1 )) (resid 7 and name HN ) 4.5 4.5 1.6
assign (resid 6 and name HA ) (resid 48 and (name HG2# or name HD1# )) 3.7 3.7 1.3
assign (resid 6 and name HN ) (resid 48 and (name HG2# or name HD1# )) 3.0 3.0 1.0
assign (resid 6 and (name HB1 or name HB2 )) (resid 49 and (name HB2 or name HB1 )) 4.1 4.1 1.4
assign (resid 6 and (name HB2 or name HB1 )) (resid 49 and (name HB2 or name HB1 )) 4.2 4.2 1.5
assign (resid 6 and name HE# ) (resid 49 and (name HB2 or name HB1 )) 3.2 3.2 1.1
assign (resid   6 and name HN  ) (resid  50 and name HA  )  3.6  1.3  1.3
assign (resid 6 and (name HB1 or name HB2 )) (resid 51 and (name HE1 or name HE2 )) 3.2 3.2 1.1
assign (resid 6 and (name HB2 or name HB1 )) (resid 51 and (name HE1 or name HE2 )) 3.2 3.2 1.1
assign (resid 6 and (name HD2 or name HD1 )) (resid 51 and (name HE1 or name HE2 )) 4.2 4.2 1.5
assign (resid 6 and (name HG1 or name HG2 )) (resid 51 and (name HE1 or name HE2 )) 4.4 4.4 1.5
assign (resid 6 and (name HG2 or name HG1 )) (resid 51 and (name HE1 or name HE2 )) 4.4 4.4 1.5
assign (resid 7 and name HA ) (resid 7 and name HB ) 2.9 2.9 1.0
assign (resid 7 and name HA ) (resid 7 and (name HG1# or name HG2# )) 2.8 2.8 1.0
assign (resid 7 and name HA ) (resid 7 and (name HG2# or name HG1# )) 2.7 2.7 0.9
assign (resid 7 and name HA ) (resid 7 and name HN ) 2.9 2.9 1.0
assign (resid 7 and name HB ) (resid 7 and (name HG1# or name HG2# )) 2.4 2.4 0.9
assign (resid 7 and name HB ) (resid 7 and (name HG2# or name HG1# )) 2.5 2.5 0.9
assign (resid 7 and name HB ) (resid 7 and name HN ) 2.7 2.7 1.0
assign (resid 7 and (name HG1# or name HG2# )) (resid 7 and name HN ) 3.1 3.1 1.1
assign (resid 7 and (name HG2# or name HG1# )) (resid 7 and name HN ) 2.6 2.6 0.9
assign (resid 7 and name HA ) (resid 8 and (name HB1 or name HB2 )) 4.0 4.0 1.4
assign (resid 7 and name HA ) (resid 8 and (name HB2 or name HB1 )) 3.7 3.7 1.3
assign (resid   7 and name HA  ) (resid   8 and name HN  )  2.4  0.9  0.9
assign (resid 7 and (name HG1# or name HG2# )) (resid 8 and name HA ) 3.6 3.6 1.3
assign (resid 7 and (name HG1# or name HG2# )) (resid 8 and name HN ) 2.8 2.8 1.0
assign (resid 7 and (name HG2# or name HG1# )) (resid 8 and name HN ) 3.2 3.2 1.1
assign (resid 7 and (name HG1# or name HG2# )) (resid 9 and name HA ) 2.7 2.7 1.0
assign (resid 7 and (name HG1# or name HG2# )) (resid 9 and name HG# ) 2.9 2.9 1.0
assign (resid 7 and (name HG1# or name HG2# )) (resid 9 and name HN ) 3.5 3.5 1.2
assign (resid 7 and (name HG1# or name HG2# )) (resid 46 and (name HB2 or name HB1 )) 3.0 3.0 1.1
assign (resid 7 and (name HG1# or name HG2# )) (resid 46 and name HE22 ) 3.9 3.9 1.4
assign (resid 7 and (name HG1# or name HG2# )) (resid 46 and name HG# ) 3.1 3.1 1.1
assign (resid   7 and name HA  ) (resid  48 and name HA  )  2.5  0.9  0.9
assign (resid 7 and name HA ) (resid 48 and (name HD1# or name HG2# )) 2.8 2.8 1.0
assign (resid 7 and name HA ) (resid 48 and (name HG11 or name HG12 )) 3.0 3.0 1.1
assign (resid 7 and name HA ) (resid 48 and (name HG12 or name HG11 )) 3.5 3.5 1.2
assign (resid 7 and name HA ) (resid 48 and (name HG2# or name HD1# )) 3.3 3.3 1.1
assign (resid 7 and (name HG1# or name HG2# )) (resid 48 and name HA ) 3.6 3.6 1.3
assign (resid 7 and (name HG2# or name HG1# )) (resid 48 and name HA ) 3.3 3.3 1.1
assign (resid   7 and name HA  ) (resid  49 and name HN  )  3.1  1.1  1.1
assign (resid 8 and name HA ) (resid 8 and (name HB1 or name HB2 )) 3.1 3.1 1.1
assign (resid 8 and name HA ) (resid 8 and (name HB2 or name HB1 )) 2.8 2.8 1.0
assign (resid 8 and name HA ) (resid 8 and (name HD1 or name HD2 )) 3.5 3.5 1.2
assign (resid 8 and name HA ) (resid 8 and (name HE1 or name HE2 )) 3.5 3.5 1.2
assign (resid 8 and name HA ) (resid 8 and name HN ) 3.1 3.1 1.1
assign (resid 8 and (name HB1 or name HB2 )) (resid 8 and (name HD1 or name HD2 )) 3.5 3.5 1.2
assign (resid 8 and (name HB1 or name HB2 )) (resid 8 and name HN ) 2.9 2.9 1.0
assign (resid 8 and (name HB2 or name HB1 )) (resid 8 and (name HD1 or name HD2 )) 3.1 3.1 1.1
assign (resid 8 and (name HB2 or name HB1 )) (resid 8 and name HN ) 2.8 2.8 1.0
assign (resid 8 and name HA ) (resid 9 and (name HB2 or name HB1 )) 4.1 4.1 1.4
assign (resid 8 and name HA ) (resid 9 and name HG# ) 3.7 3.7 1.3
assign (resid   8 and name HA  ) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid 8 and name HA ) (resid 30 and (name HE1 or name HE2 )) 3.1 3.1 1.1
assign (resid 8 and name HA ) (resid 30 and (name HG1 or name HG2 )) 3.7 3.7 1.3
assign (resid 8 and (name HE1 or name HE2 )) (resid 30 and (name HE1 or name HE2 )) 3.8 3.8 1.3
assign (resid 8 and (name HE1 or name HE2 )) (resid 30 and (name HE2 or name HE1 )) 3.6 3.6 1.3
assign (resid 8 and (name HE1 or name HE2 )) (resid 30 and (name HG1 or name HG2 )) 4.3 4.3 1.5
assign (resid 8 and (name HE1 or name HE2 )) (resid 30 and (name HG2 or name HG1 )) 3.2 3.2 1.1
assign (resid 8 and (name HB1 or name HB2 )) (resid 47 and (name HB1 or name HB2 )) 3.3 3.3 1.1
assign (resid 8 and (name HB1 or name HB2 )) (resid 47 and (name HB2 or name HB1 )) 3.0 3.0 1.0
assign (resid 8 and (name HB2 or name HB1 )) (resid 47 and (name HB2 or name HB1 )) 3.2 3.2 1.1
assign (resid 8 and (name HB2 or name HB1 )) (resid 48 and name HA ) 4.0 4.0 1.4
assign (resid   8 and name HN  ) (resid  48 and name HA  )  3.0  1.1  1.1
assign (resid 9 and name HA ) (resid 9 and (name HB1 or name HB2 )) 2.6 2.6 0.9
assign (resid 9 and name HA ) (resid 9 and (name HB2 or name HB1 )) 2.9 2.9 1.0
assign (resid 9 and name HA ) (resid 9 and name HG# ) 2.7 2.7 1.0
assign (resid 9 and name HA ) (resid 9 and name HN ) 2.8 2.8 1.0
assign (resid 9 and (name HB1 or name HB2 )) (resid 9 and name HG# ) 2.4 2.4 0.8
assign (resid 9 and (name HB1 or name HB2 )) (resid 9 and name HN ) 3.1 3.1 1.1
assign (resid 9 and (name HB2 or name HB1 )) (resid 9 and name HG# ) 2.5 2.5 0.9
assign (resid 9 and (name HB2 or name HB1 )) (resid 9 and name HN ) 3.1 3.1 1.1
assign (resid 9 and name HG# ) (resid 9 and name HN ) 2.8 2.8 1.0
assign (resid   9 and name HA  ) (resid  10 and name HN  )  2.4  0.8  0.8
assign (resid 9 and (name HB1 or name HB2 )) (resid 10 and name HA ) 4.3 4.3 1.5
assign (resid 9 and (name HB1 or name HB2 )) (resid 10 and (name HB2 or name HB1 )) 4.1 4.1 1.4
assign (resid 9 and (name HB1 or name HB2 )) (resid 10 and name HN ) 3.8 3.8 1.3
assign (resid 9 and (name HB2 or name HB1 )) (resid 10 and (name HB2 or name HB1 )) 4.1 4.1 1.4
assign (resid 9 and (name HB2 or name HB1 )) (resid 10 and name HN ) 3.8 3.8 1.3
assign (resid 9 and name HG# ) (resid 10 and name HN ) 3.7 3.7 1.3
assign (resid   9 and name HA  ) (resid  11 and name HN  )  3.5  1.2  1.2
assign (resid 9 and name HA ) (resid 12 and (name HD1 or name HD2 )) 2.4 2.4 0.9
assign (resid 9 and name HA ) (resid 12 and (name HD2 or name HD1 )) 2.6 2.6 0.9
assign (resid 10 and name HA ) (resid 10 and (name HB1 or name HB2 )) 2.7 2.7 0.9
assign (resid 10 and name HA ) (resid 10 and (name HB2 or name HB1 )) 2.8 2.8 1.0
assign (resid 10 and name HA ) (resid 10 and name HN ) 2.5 2.5 0.9
assign (resid 10 and (name HB1 or name HB2 )) (resid 10 and name HD21 ) 3.4 3.4 1.2
assign (resid 10 and (name HB1 or name HB2 )) (resid 10 and name HD22 ) 3.0 3.0 1.1
assign (resid 10 and (name HB1 or name HB2 )) (resid 10 and name HN ) 3.6 3.6 1.3
assign (resid 10 and (name HB2 or name HB1 )) (resid 10 and name HD21 ) 3.8 3.8 1.3
assign (resid 10 and (name HB2 or name HB1 )) (resid 10 and name HD22 ) 3.4 3.4 1.2
assign (resid 10 and (name HB2 or name HB1 )) (resid 10 and name HN ) 3.7 3.7 1.3
assign (resid  10 and name HA  ) (resid  11 and name HN  )  3.2  1.1  1.1
assign (resid 10 and name HA ) (resid 12 and (name HD2 or name HD1 )) 3.9 3.9 1.4
assign (resid 11 and name HA ) (resid 11 and (name HB2 or name HB1 )) 2.8 2.8 1.0
assign (resid 11 and name HA ) (resid 11 and (name HE1 or name HE2 )) 3.8 3.8 1.3
assign (resid 11 and name HA ) (resid 11 and name HN ) 3.0 3.0 1.1
assign (resid 11 and name HA ) (resid 12 and (name HD1 or name HD2 )) 2.4 2.4 0.9
assign (resid 11 and name HA ) (resid 12 and (name HD2 or name HD1 )) 2.6 2.6 0.9
assign (resid 11 and name HA ) (resid 12 and (name HG1 or name HG2 )) 3.5 3.5 1.2
assign (resid 11 and name HA ) (resid 12 and (name HG2 or name HG1 )) 3.9 3.9 1.4
assign (resid 11 and (name HB1 or name HB2 )) (resid 12 and (name HD1 or name HD2 )) 3.8 3.8 1.3
assign (resid 11 and (name HB2 or name HB1 )) (resid 12 and (name HD1 or name HD2 )) 3.8 3.8 1.3
assign (resid 11 and (name HB2 or name HB1 )) (resid 12 and (name HD2 or name HD1 )) 3.4 3.4 1.2
assign (resid 11 and name HA ) (resid 13 and (name HG2# or name HG1# )) 3.5 3.5 1.2
assign (resid 11 and (name HE1 or name HE2 )) (resid 29 and (name HB1 or name HB2 )) 3.1 3.1 1.1
assign (resid 11 and (name HB1 or name HB2 )) (resid 47 and (name HB2 or name HB1 )) 3.1 3.1 1.1
assign (resid 12 and name HA ) (resid 12 and (name HB1 or name HB2 )) 2.5 2.5 0.9
assign (resid 12 and name HA ) (resid 12 and (name HB2 or name HB1 )) 2.7 2.7 0.9
assign (resid 12 and name HA ) (resid 12 and (name HD1 or name HD2 )) 3.4 3.4 1.2
assign (resid 12 and name HA ) (resid 12 and (name HG1 or name HG2 )) 3.3 3.3 1.2
assign (resid 12 and name HA ) (resid 12 and (name HG2 or name HG1 )) 3.4 3.4 1.2
assign (resid 12 and (name HB1 or name HB2 )) (resid 12 and (name HD1 or name HD2 )) 3.5 3.5 1.2
assign (resid 12 and (name HB1 or name HB2 )) (resid 12 and (name HG1 or name HG2 )) 2.7 2.7 0.9
assign (resid 12 and (name HB1 or name HB2 )) (resid 12 and (name HG2 or name HG1 )) 3.0 3.0 1.1
assign (resid 12 and (name HB2 or name HB1 )) (resid 12 and (name HD1 or name HD2 )) 3.4 3.4 1.2
assign (resid 12 and (name HB2 or name HB1 )) (resid 12 and (name HD2 or name HD1 )) 2.7 2.7 0.9
assign (resid 12 and (name HB2 or name HB1 )) (resid 12 and (name HG2 or name HG1 )) 2.2 2.2 0.8
assign (resid 12 and (name HD1 or name HD2 )) (resid 12 and (name HG1 or name HG2 )) 2.6 2.6 0.9
assign (resid 12 and (name HD1 or name HD2 )) (resid 12 and (name HG2 or name HG1 )) 3.0 3.0 1.0
assign (resid 12 and (name HD2 or name HD1 )) (resid 12 and (name HG2 or name HG1 )) 2.7 2.7 0.9
assign (resid  12 and name HA  ) (resid  13 and name HB  )  3.8  1.3  1.3
assign (resid 12 and name HA ) (resid 13 and (name HG2# or name HG1# )) 3.3 3.3 1.1
assign (resid  12 and name HA  ) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid 12 and (name HB1 or name HB2 )) (resid 13 and name HN ) 3.7 3.7 1.3
assign (resid 12 and (name HB2 or name HB1 )) (resid 13 and name HN ) 3.7 3.7 1.3
assign (resid 13 and name HA ) (resid 13 and name HB ) 2.5 2.5 0.9
assign (resid 13 and name HA ) (resid 13 and (name HG1# or name HG2# )) 2.5 2.5 0.9
assign (resid 13 and name HA ) (resid 13 and (name HG2# or name HG1# )) 2.8 2.8 1.0
assign (resid 13 and name HA ) (resid 13 and name HN ) 2.7 2.7 0.9
assign (resid 13 and name HB ) (resid 13 and (name HG1# or name HG2# )) 2.6 2.6 0.9
assign (resid 13 and name HB ) (resid 13 and (name HG2# or name HG1# )) 2.6 2.6 0.9
assign (resid 13 and name HB ) (resid 13 and name HN ) 3.2 3.2 1.1
assign (resid 13 and (name HG1# or name HG2# )) (resid 13 and name HN ) 2.8 2.8 1.0
assign (resid 13 and (name HG2# or name HG1# )) (resid 13 and name HN ) 2.6 2.6 0.9
assign (resid  13 and name HA  ) (resid  14 and name HN  )  3.5  1.2  1.2
assign (resid 13 and (name HG1# or name HG2# )) (resid 14 and name HA ) 3.9 3.9 1.4
assign (resid 13 and (name HG1# or name HG2# )) (resid 14 and name HB# ) 4.0 4.0 1.4
assign (resid 13 and (name HG2# or name HG1# )) (resid 14 and name HN ) 3.2 3.2 1.1
assign (resid  13 and name HA  ) (resid  15 and name HN  )  2.9  1.0  1.0
assign (resid 13 and (name HG2# or name HG1# )) (resid 15 and name HN ) 3.8 3.8 1.3
assign (resid 13 and name HA ) (resid 45 and (name HB2 or name HB1 )) 3.7 3.7 1.3
assign (resid 14 and name HA ) (resid 14 and name HN ) 3.2 3.2 1.1
assign (resid 14 and name HB# ) (resid 14 and name HN ) 3.2 3.2 1.1
assign (resid  14 and name HA  ) (resid  15 and name HN  )  3.5  1.2  1.2
assign (resid 14 and name HB# ) (resid 15 and name HN ) 4.0 4.0 1.4
assign (resid  14 and name HA  ) (resid  17 and name HN  )  4.0  1.4  1.4
assign (resid  14 and name HA  ) (resid  45 and name HG  )  3.8  1.3  1.3
assign (resid 15 and name HA ) (resid 15 and (name HB1 or name HB2 )) 2.6 2.6 0.9
assign (resid 15 and name HA ) (resid 15 and (name HB2 or name HB1 )) 3.2 3.2 1.1
assign (resid 15 and name HA ) (resid 15 and (name HG1 or name HG2 )) 2.8 2.8 1.0
assign (resid 15 and name HA ) (resid 15 and (name HG2 or name HG1 )) 2.6 2.6 0.9
assign (resid 15 and (name HB1 or name HB2 )) (resid 15 and (name HE2 or name HE1 )) 3.4 3.4 1.2
assign (resid 15 and (name HB1 or name HB2 )) (resid 15 and (name HG1 or name HG2 )) 2.9 2.9 1.0
assign (resid 15 and (name HB1 or name HB2 )) (resid 15 and (name HG2 or name HG1 )) 3.1 3.1 1.1
assign (resid 15 and (name HB1 or name HB2 )) (resid 15 and name HN ) 3.0 3.0 1.1
assign (resid 15 and (name HB2 or name HB1 )) (resid 15 and (name HE2 or name HE1 )) 3.5 3.5 1.2
assign (resid 15 and (name HB2 or name HB1 )) (resid 15 and (name HG2 or name HG1 )) 3.3 3.3 1.1
assign (resid 15 and (name HB2 or name HB1 )) (resid 15 and name HN ) 3.1 3.1 1.1
assign (resid 15 and (name HG1 or name HG2 )) (resid 15 and name HN ) 3.5 3.5 1.2
assign (resid 15 and (name HG2 or name HG1 )) (resid 15 and name HN ) 3.8 3.8 1.3
assign (resid  15 and name HA  ) (resid  16 and name HN  )  2.9  1.0  1.0
assign (resid 15 and name HA ) (resid 17 and (name HB1 or name HB2 )) 3.5 3.5 1.2
assign (resid 15 and name HA ) (resid 17 and (name HG1 or name HG2 )) 4.1 4.1 1.4
assign (resid  15 and name HA  ) (resid  17 and name HN  )  3.4  1.2  1.2
assign (resid 15 and name HA ) (resid 21 and (name HG1 or name HG2 )) 3.8 3.8 1.3
assign (resid 15 and name HA ) (resid 21 and (name HG2 or name HG1 )) 3.9 3.9 1.4
assign (resid 15 and (name HB1 or name HB2 )) (resid 21 and (name HB1 or name HB2 )) 3.1 3.1 1.1
assign (resid 15 and (name HB1 or name HB2 )) (resid 21 and (name HG1 or name HG2 )) 3.0 3.0 1.1
assign (resid 15 and (name HD1 or name HD2 )) (resid 21 and name HE22 ) 4.4 4.4 1.5
assign (resid 15 and (name HD1 or name HD2 )) (resid 21 and (name HG1 or name HG2 )) 3.7 3.7 1.3
assign (resid 15 and (name HG2 or name HG1 )) (resid 21 and (name HG1 or name HG2 )) 4.0 4.0 1.4
assign (resid 16 and name HA ) (resid 16 and (name HB1 or name HB2 )) 3.0 3.0 1.0
assign (resid 16 and name HA ) (resid 16 and (name HB2 or name HB1 )) 2.7 2.7 1.0
assign (resid 16 and name HA ) (resid 16 and name HN ) 3.0 3.0 1.0
assign (resid 16 and (name HB1 or name HB2 )) (resid 16 and name HN ) 2.7 2.7 0.9
assign (resid 16 and (name HB2 or name HB1 )) (resid 16 and name HN ) 2.8 2.8 1.0
assign (resid  16 and name HA  ) (resid  17 and name HN  )  3.3  1.2  1.2
assign (resid 16 and (name HB1 or name HB2 )) (resid 17 and name HN ) 3.5 3.5 1.2
assign (resid 16 and (name HB2 or name HB1 )) (resid 17 and name HA ) 4.2 4.2 1.5
assign (resid 16 and (name HB2 or name HB1 )) (resid 17 and name HN ) 3.5 3.5 1.2
assign (resid 16 and name HA ) (resid 22 and (name HB2 or name HB1 )) 3.9 3.9 1.4
assign (resid 16 and name HA ) (resid 37 and (name HB1 or name HB2 )) 4.0 4.0 1.4
assign (resid 16 and name HA ) (resid 37 and (name HB2 or name HB1 )) 3.7 3.7 1.3
assign (resid 16 and (name HB1 or name HB2 )) (resid 37 and (name HB1 or name HB2 )) 3.7 3.7 1.3
assign (resid 16 and (name HB1 or name HB2 )) (resid 37 and (name HB2 or name HB1 )) 3.5 3.5 1.2
assign (resid 16 and (name HB2 or name HB1 )) (resid 37 and (name HB1 or name HB2 )) 3.2 3.2 1.1
assign (resid 16 and (name HB2 or name HB1 )) (resid 37 and (name HB2 or name HB1 )) 3.1 3.1 1.1
assign (resid 16 and name HA ) (resid 45 and (name HD1# or name HD2# )) 3.4 3.4 1.2
assign (resid 16 and (name HB1 or name HB2 )) (resid 45 and (name HB1 or name HB2 )) 3.9 3.9 1.4
assign (resid 16 and (name HB1 or name HB2 )) (resid 45 and (name HB2 or name HB1 )) 3.6 3.6 1.2
assign (resid 16 and (name HB1 or name HB2 )) (resid 45 and (name HD1# or name HD2# )) 3.3 3.3 1.2
assign (resid 16 and (name HB2 or name HB1 )) (resid 45 and (name HB1 or name HB2 )) 3.4 3.4 1.2
assign (resid 16 and (name HB2 or name HB1 )) (resid 45 and (name HB2 or name HB1 )) 3.2 3.2 1.1
assign (resid 16 and (name HB2 or name HB1 )) (resid 45 and (name HD1# or name HD2# )) 3.1 3.1 1.1
assign (resid 16 and (name HB2 or name HB1 )) (resid 45 and (name HD2# or name HD1# )) 2.9 2.9 1.0
assign (resid 17 and name HA ) (resid 17 and (name HB1 or name HB2 )) 2.6 2.6 0.9
assign (resid 17 and name HA ) (resid 17 and (name HB2 or name HB1 )) 2.8 2.8 1.0
assign (resid 17 and name HA ) (resid 17 and (name HG1 or name HG2 )) 3.0 3.0 1.1
assign (resid 17 and name HA ) (resid 17 and (name HG2 or name HG1 )) 2.7 2.7 0.9
assign (resid 17 and name HA ) (resid 17 and name HN ) 2.9 2.9 1.0
assign (resid 17 and (name HB1 or name HB2 )) (resid 17 and (name HG2 or name HG1 )) 2.5 2.5 0.9
assign (resid 17 and (name HB1 or name HB2 )) (resid 17 and name HN ) 3.3 3.3 1.2
assign (resid 17 and (name HB2 or name HB1 )) (resid 17 and (name HG2 or name HG1 )) 2.7 2.7 0.9
assign (resid 17 and (name HB2 or name HB1 )) (resid 17 and name HN ) 3.0 3.0 1.1
assign (resid 17 and (name HG1 or name HG2 )) (resid 17 and name HN ) 3.2 3.2 1.1
assign (resid 17 and (name HG2 or name HG1 )) (resid 17 and name HN ) 3.1 3.1 1.1
assign (resid 17 and name HE22 ) (resid 18 and (name HD1# or name HD2# )) 3.4 3.4 1.2
assign (resid 17 and (name HG1 or name HG2 )) (resid 18 and (name HB1 or name HB2 )) 3.1 3.1 1.1
assign (resid 17 and (name HG1 or name HG2 )) (resid 18 and (name HB2 or name HB1 )) 3.4 3.4 1.2
assign (resid 18 and name HA ) (resid 18 and (name HB1 or name HB2 )) 3.1 3.1 1.1
assign (resid 18 and name HA ) (resid 18 and (name HB2 or name HB1 )) 2.9 2.9 1.0
assign (resid 18 and name HA ) (resid 18 and (name HD1# or name HD2# )) 2.5 2.5 0.9
assign (resid 18 and name HA ) (resid 18 and (name HD2# or name HD1# )) 2.6 2.6 0.9
assign (resid 18 and name HA ) (resid 18 and name HG ) 4.0 4.0 1.4
assign (resid 18 and (name HB1 or name HB2 )) (resid 18 and (name HD1# or name HD2# )) 2.8 2.8 1.0
assign (resid 18 and (name HB1 or name HB2 )) (resid 18 and (name HD2# or name HD1# )) 2.9 2.9 1.0
assign (resid 18 and (name HB1 or name HB2 )) (resid 18 and name HG ) 3.0 3.0 1.0
assign (resid 18 and (name HB1 or name HB2 )) (resid 18 and name HN ) 2.9 2.9 1.0
assign (resid 18 and (name HB2 or name HB1 )) (resid 18 and (name HD1# or name HD2# )) 2.5 2.5 0.9
assign (resid 18 and (name HB2 or name HB1 )) (resid 18 and (name HD2# or name HD1# )) 3.0 3.0 1.1
assign (resid 18 and (name HB2 or name HB1 )) (resid 18 and name HN ) 3.3 3.3 1.1
assign (resid 18 and (name HD1# or name HD2# )) (resid 18 and name HG ) 2.5 2.5 0.9
assign (resid 18 and (name HD2# or name HD1# )) (resid 18 and name HG ) 2.5 2.5 0.9
assign (resid 18 and name HG ) (resid 18 and name HN ) 3.6 3.6 1.3
assign (resid 18 and name HA ) (resid 19 and name HB# ) 3.4 3.4 1.2
assign (resid 18 and (name HB1 or name HB2 )) (resid 19 and name HN ) 4.1 4.1 1.4
assign (resid 18 and (name HB2 or name HB1 )) (resid 19 and name HN ) 3.7 3.7 1.3
assign (resid  18 and name HN  ) (resid  19 and name HA  )  4.3  1.5  1.5
assign (resid  18 and name HA  ) (resid  21 and name HN  )  4.4  1.6  1.6
assign (resid 18 and (name HB1 or name HB2 )) (resid 21 and (name HG2 or name HG1 )) 2.9 2.9 1.0
assign (resid 18 and (name HB1 or name HB2 )) (resid 21 and name HN ) 4.1 4.1 1.4
assign (resid 18 and (name HB2 or name HB1 )) (resid 21 and (name HB2 or name HB1 )) 3.1 3.1 1.1
assign (resid 18 and (name HB2 or name HB1 )) (resid 21 and (name HG2 or name HG1 )) 3.5 3.5 1.2
assign (resid 18 and (name HB2 or name HB1 )) (resid 21 and name HN ) 4.2 4.2 1.5
assign (resid 18 and (name HD1# or name HD2# )) (resid 21 and (name HG1 or name HG2 )) 3.6 3.6 1.3
assign (resid 18 and (name HD1# or name HD2# )) (resid 21 and (name HG2 or name HG1 )) 3.2 3.2 1.1
assign (resid 19 and name HA ) (resid 19 and name HB# ) 2.4 2.4 0.9
assign (resid 19 and name HA ) (resid 19 and name HN ) 2.7 2.7 1.0
assign (resid 19 and name HB# ) (resid 19 and name HN ) 2.5 2.5 0.9
assign (resid 19 and name HA ) (resid 20 and (name HB1 or name HB2 )) 3.8 3.8 1.3
assign (resid  19 and name HA  ) (resid  20 and name HN  )  2.4  0.8  0.8
assign (resid 19 and name HB# ) (resid 20 and name HD21 ) 3.7 3.7 1.3
assign (resid 19 and name HB# ) (resid 20 and name HD22 ) 3.6 3.6 1.3
assign (resid 19 and name HB# ) (resid 20 and name HN ) 3.0 3.0 1.0
assign (resid  19 and name HA  ) (resid  21 and name HN  )  3.6  1.3  1.3
assign (resid 19 and name HA ) (resid 22 and (name HB1 or name HB2 )) 3.8 3.8 1.3
assign (resid 19 and name HB# ) (resid 22 and (name HB1 or name HB2 )) 3.4 3.4 1.2
assign (resid 20 and name HA ) (resid 20 and (name HB1 or name HB2 )) 2.8 2.8 1.0
assign (resid 20 and name HA ) (resid 20 and (name HB2 or name HB1 )) 2.9 2.9 1.0
assign (resid 20 and (name HB1 or name HB2 )) (resid 20 and name HD22 ) 3.1 3.1 1.1
assign (resid 20 and (name HB1 or name HB2 )) (resid 20 and name HN ) 3.6 3.6 1.3
assign (resid 20 and (name HB2 or name HB1 )) (resid 20 and name HD21 ) 3.5 3.5 1.2
assign (resid 20 and (name HB2 or name HB1 )) (resid 20 and name HN ) 3.5 3.5 1.2
assign (resid 20 and (name HB2 or name HB1 )) (resid 21 and name HA ) 4.1 4.1 1.4
assign (resid 20 and (name HB1 or name HB2 )) (resid 23 and name HD22 ) 4.0 4.0 1.4
assign (resid 21 and name HA ) (resid 21 and (name HB1 or name HB2 )) 2.9 2.9 1.0
assign (resid 21 and name HA ) (resid 21 and (name HB2 or name HB1 )) 2.7 2.7 0.9
assign (resid 21 and name HA ) (resid 21 and name HE21 ) 3.9 3.9 1.4
assign (resid 21 and name HA ) (resid 21 and name HE22 ) 3.6 3.6 1.3
assign (resid 21 and name HA ) (resid 21 and (name HG1 or name HG2 )) 3.2 3.2 1.1
assign (resid 21 and name HA ) (resid 21 and (name HG2 or name HG1 )) 3.3 3.3 1.2
assign (resid 21 and name HA ) (resid 21 and name HN ) 3.0 3.0 1.0
assign (resid 21 and (name HB1 or name HB2 )) (resid 21 and (name HG1 or name HG2 )) 2.9 2.9 1.0
assign (resid 21 and (name HB1 or name HB2 )) (resid 21 and name HN ) 3.1 3.1 1.1
assign (resid 21 and (name HB2 or name HB1 )) (resid 21 and (name HG1 or name HG2 )) 2.9 2.9 1.0
assign (resid 21 and (name HB2 or name HB1 )) (resid 21 and (name HG2 or name HG1 )) 2.6 2.6 0.9
assign (resid 21 and (name HB2 or name HB1 )) (resid 21 and name HN ) 2.9 2.9 1.0
assign (resid 21 and name HE21 ) (resid 21 and (name HG1 or name HG2 )) 3.3 3.3 1.2
assign (resid 21 and name HE21 ) (resid 21 and (name HG2 or name HG1 )) 3.7 3.7 1.3
assign (resid 21 and name HE22 ) (resid 21 and (name HG1 or name HG2 )) 2.8 2.8 1.0
assign (resid 21 and name HE22 ) (resid 21 and (name HG2 or name HG1 )) 3.1 3.1 1.1
assign (resid 21 and (name HG1 or name HG2 )) (resid 21 and name HN ) 4.4 4.4 1.5
assign (resid 21 and (name HG2 or name HG1 )) (resid 21 and name HN ) 3.7 3.7 1.3
assign (resid  21 and name HA  ) (resid  22 and name HN  )  3.7  1.3  1.3
assign (resid 21 and (name HB1 or name HB2 )) (resid 22 and name HN ) 3.4 3.4 1.2
assign (resid 21 and (name HB2 or name HB1 )) (resid 22 and name HN ) 3.9 3.9 1.4
assign (resid 21 and name HA ) (resid 24 and (name HB1 or name HB2 )) 2.8 2.8 1.0
assign (resid  21 and name HA  ) (resid  24 and name HN  )  3.3  1.2  1.2
assign (resid  21 and name HA  ) (resid  25 and name HN  )  3.9  1.4  1.4
assign (resid 22 and name HA ) (resid 22 and (name HB1 or name HB2 )) 2.6 2.6 0.9
assign (resid 22 and name HA ) (resid 22 and (name HB2 or name HB1 )) 2.9 2.9 1.0
assign (resid 22 and name HA ) (resid 22 and name HN ) 3.1 3.1 1.1
assign (resid 22 and (name HB1 or name HB2 )) (resid 22 and name HN ) 2.7 2.7 1.0
assign (resid 22 and (name HB2 or name HB1 )) (resid 22 and name HN ) 2.7 2.7 1.0
assign (resid  22 and name HA  ) (resid  23 and name HN  )  3.8  1.3  1.3
assign (resid 22 and (name HB1 or name HB2 )) (resid 23 and name HN ) 3.2 3.2 1.1
assign (resid 22 and (name HB2 or name HB1 )) (resid 23 and name HN ) 3.0 3.0 1.1
assign (resid 22 and name HA ) (resid 25 and (name HB1 or name HB2 )) 3.6 3.6 1.3
assign (resid 22 and name HA ) (resid 25 and (name HB2 or name HB1 )) 3.2 3.2 1.1
assign (resid  22 and name HA  ) (resid  25 and name HN  )  3.6  1.2  1.2
assign (resid  22 and name HA  ) (resid  26 and name HN  )  4.0  1.4  1.4
assign (resid 22 and name HA ) (resid 37 and (name HB1 or name HB2 )) 3.8 3.8 1.3
assign (resid 22 and (name HB1 or name HB2 )) (resid 37 and name HA ) 4.2 4.2 1.5
assign (resid 22 and (name HB1 or name HB2 )) (resid 37 and name HN ) 4.0 4.0 1.4
assign (resid 22 and (name HB2 or name HB1 )) (resid 37 and name HN ) 4.2 4.2 1.5
assign (resid 22 and (name HB1 or name HB2 )) (resid 47 and name HA ) 3.5 3.5 1.2
assign (resid 23 and name HA ) (resid 23 and (name HB1 or name HB2 )) 2.7 2.7 1.0
assign (resid 23 and name HA ) (resid 23 and (name HB2 or name HB1 )) 3.1 3.1 1.1
assign (resid 23 and name HA ) (resid 23 and name HN ) 3.0 3.0 1.0
assign (resid 23 and (name HB1 or name HB2 )) (resid 23 and name HD21 ) 3.5 3.5 1.2
assign (resid 23 and (name HB1 or name HB2 )) (resid 23 and name HD22 ) 3.0 3.0 1.1
assign (resid 23 and (name HB1 or name HB2 )) (resid 23 and name HN ) 2.7 2.7 0.9
assign (resid 23 and (name HB2 or name HB1 )) (resid 23 and name HD21 ) 3.3 3.3 1.2
assign (resid 23 and (name HB2 or name HB1 )) (resid 23 and name HN ) 2.8 2.8 1.0
assign (resid  23 and name HA  ) (resid  24 and name HN  )  3.7  1.3  1.3
assign (resid 23 and (name HB1 or name HB2 )) (resid 24 and name HN ) 3.0 3.0 1.1
assign (resid 23 and (name HB2 or name HB1 )) (resid 24 and name HN ) 2.9 2.9 1.0
assign (resid 23 and name HD21 ) (resid 24 and (name HB2 or name HB1 )) 4.0 4.0 1.4
assign (resid 23 and name HA ) (resid 26 and (name HB1 or name HB2 )) 3.0 3.0 1.1
assign (resid 23 and name HA ) (resid 26 and (name HB2 or name HB1 )) 3.5 3.5 1.2
assign (resid  23 and name HA  ) (resid  26 and name HN  )  3.9  1.4  1.4
assign (resid  23 and name HA  ) (resid  27 and name HN  )  4.2  1.5  1.5
assign (resid 23 and name HD21 ) (resid 27 and (name HD1 or name HD2 )) 4.2 4.2 1.5
assign (resid 23 and (name HB1 or name HB2 )) (resid 34 and name HA ) 3.2 3.2 1.1
assign (resid 23 and (name HB2 or name HB1 )) (resid 34 and name HA ) 3.2 3.2 1.1
assign (resid 23 and name HA ) (resid 35 and (name HA1 or name HA2 )) 2.7 2.7 0.9
assign (resid 23 and name HA ) (resid 35 and (name HA2 or name HA1 )) 3.1 3.1 1.1
assign (resid  23 and name HA  ) (resid  35 and name HN  )  2.6  0.9  0.9
assign (resid 23 and (name HB1 or name HB2 )) (resid 35 and (name HA1 or name HA2 )) 3.8 3.8 1.3
assign (resid 23 and (name HB1 or name HB2 )) (resid 35 and name HN ) 3.4 3.4 1.2
assign (resid 23 and (name HB2 or name HB1 )) (resid 35 and (name HA1 or name HA2 )) 4.4 4.4 1.5
assign (resid 23 and (name HB2 or name HB1 )) (resid 35 and name HN ) 4.4 4.4 1.5
assign (resid 23 and (name HB1 or name HB2 )) (resid 36 and name HA ) 4.4 4.4 1.5
assign (resid 24 and name HA ) (resid 24 and (name HB1 or name HB2 )) 2.8 2.8 1.0
assign (resid 24 and name HA ) (resid 24 and (name HB2 or name HB1 )) 2.7 2.7 0.9
assign (resid 24 and name HA ) (resid 24 and (name HD1 or name HD2 )) 3.5 3.5 1.2
assign (resid 24 and name HA ) (resid 24 and name HN ) 2.9 2.9 1.0
assign (resid 24 and (name HB1 or name HB2 )) (resid 24 and (name HD1 or name HD2 )) 3.3 3.3 1.2
assign (resid 24 and (name HB1 or name HB2 )) (resid 24 and name HN ) 2.8 2.8 1.0
assign (resid 24 and (name HB2 or name HB1 )) (resid 24 and (name HD1 or name HD2 )) 3.3 3.3 1.2
assign (resid 24 and (name HB2 or name HB1 )) (resid 24 and name HN ) 2.8 2.8 1.0
assign (resid  24 and name HA  ) (resid  25 and name HN  )  3.7  1.3  1.3
assign (resid 24 and (name HB1 or name HB2 )) (resid 25 and name HN ) 3.1 3.1 1.1
assign (resid 24 and (name HB2 or name HB1 )) (resid 25 and name HN ) 3.0 3.0 1.1
assign (resid 24 and name HA ) (resid 27 and name HB# ) 2.8 2.8 1.0
assign (resid 24 and name HA ) (resid 27 and (name HD1 or name HD2 )) 3.8 3.8 1.3
assign (resid 24 and name HA ) (resid 27 and (name HD2 or name HD1 )) 3.3 3.3 1.2
assign (resid 24 and name HA ) (resid 27 and name HE# ) 3.4 3.4 1.2
assign (resid  24 and name HA  ) (resid  27 and name HN  )  3.6  1.3  1.3
assign (resid  24 and name HA  ) (resid  28 and name HN  )  3.9  1.4  1.4
assign (resid 24 and (name HE1 or name HE2 )) (resid 28 and (name HD1# or name HD2# )) 3.8 3.8 1.3
assign (resid 25 and name HA ) (resid 25 and (name HB1 or name HB2 )) 2.8 2.8 1.0
assign (resid 25 and name HA ) (resid 25 and (name HB2 or name HB1 )) 3.0 3.0 1.0
assign (resid 25 and (name HB1 or name HB2 )) (resid 25 and name HN ) 3.2 3.2 1.1
assign (resid 25 and (name HB2 or name HB1 )) (resid 25 and name HN ) 2.9 2.9 1.0
assign (resid 25 and (name HB1 or name HB2 )) (resid 26 and name HN ) 3.7 3.7 1.3
assign (resid 25 and (name HB2 or name HB1 )) (resid 26 and name HN ) 3.4 3.4 1.2
assign (resid 25 and name HA ) (resid 28 and (name HB1 or name HB2 )) 3.4 3.4 1.2
assign (resid 25 and name HA ) (resid 28 and (name HB2 or name HB1 )) 3.5 3.5 1.2
assign (resid 26 and name HA ) (resid 26 and (name HB1 or name HB2 )) 3.1 3.1 1.1
assign (resid 26 and name HA ) (resid 26 and (name HB2 or name HB1 )) 2.8 2.8 1.0
assign (resid 26 and name HA ) (resid 26 and name HN ) 3.1 3.1 1.1
assign (resid 26 and (name HB1 or name HB2 )) (resid 26 and name HN ) 2.7 2.7 1.0
assign (resid 26 and (name HB2 or name HB1 )) (resid 26 and name HN ) 3.0 3.0 1.0
assign (resid  26 and name HA  ) (resid  27 and name HN  )  3.5  1.2  1.2
assign (resid 26 and (name HB1 or name HB2 )) (resid 27 and name HN ) 3.0 3.0 1.0
assign (resid 26 and (name HB2 or name HB1 )) (resid 27 and name HN ) 3.1 3.1 1.1
assign (resid 26 and (name HB2 or name HB1 )) (resid 28 and name HN ) 4.5 4.5 1.6
assign (resid 26 and name HA ) (resid 29 and (name HB1 or name HB2 )) 4.2 4.2 1.5
assign (resid  26 and name HA  ) (resid  29 and name HN  )  4.2  1.5  1.5
assign (resid 26 and name HA ) (resid 30 and (name HB1 or name HB2 )) 3.5 3.5 1.2
assign (resid 26 and name HA ) (resid 30 and (name HB2 or name HB1 )) 2.6 2.6 0.9
assign (resid 26 and name HA ) (resid 30 and (name HG1 or name HG2 )) 3.3 3.3 1.1
assign (resid 26 and name HA ) (resid 30 and (name HG2 or name HG1 )) 3.1 3.1 1.1
assign (resid  26 and name HA  ) (resid  30 and name HN  )  3.3  1.1  1.1
assign (resid  26 and name HA  ) (resid  31 and name HN  )  3.6  1.3  1.3
assign (resid 26 and name HA ) (resid 32 and name HB# ) 3.6 3.6 1.3
assign (resid 26 and (name HB1 or name HB2 )) (resid 32 and name HB# ) 3.0 3.0 1.1
assign (resid 26 and (name HB2 or name HB1 )) (resid 32 and name HB# ) 2.5 2.5 0.9
assign (resid 26 and (name HB1 or name HB2 )) (resid 35 and (name HA1 or name HA2 )) 3.0 3.0 1.0
assign (resid 26 and (name HB1 or name HB2 )) (resid 35 and (name HA2 or name HA1 )) 3.4 3.4 1.2
assign (resid 26 and (name HB1 or name HB2 )) (resid 35 and name HN ) 4.2 4.2 1.5
assign (resid 26 and (name HB2 or name HB1 )) (resid 35 and (name HA1 or name HA2 )) 3.4 3.4 1.2
assign (resid 26 and (name HB2 or name HB1 )) (resid 35 and (name HA2 or name HA1 )) 3.8 3.8 1.3
assign (resid 26 and (name HB1 or name HB2 )) (resid 49 and name HA ) 3.8 3.8 1.3
assign (resid 26 and (name HB1 or name HB2 )) (resid 49 and (name HB2 or name HB1 )) 3.3 3.3 1.2
assign (resid 26 and (name HB2 or name HB1 )) (resid 49 and name HA ) 3.3 3.3 1.1
assign (resid 26 and (name HB2 or name HB1 )) (resid 50 and name HN ) 4.3 4.3 1.5
assign (resid 27 and name HA ) (resid 27 and name HB# ) 2.9 2.9 1.0
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assign (resid 27 and name HA ) (resid 27 and (name HG2 or name HG1 )) 3.1 3.1 1.1
assign (resid 27 and name HB# ) (resid 27 and (name HD2 or name HD1 )) 2.9 2.9 1.0
assign (resid 27 and name HB# ) (resid 27 and name HE# ) 3.2 3.2 1.1
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assign (resid 27 and name HB# ) (resid 27 and (name HG2 or name HG1 )) 2.7 2.7 1.0
assign (resid 27 and name HB# ) (resid 27 and name HN ) 2.9 2.9 1.0
assign (resid 27 and (name HD1 or name HD2 )) (resid 27 and name HE# ) 3.4 3.4 1.2
assign (resid 27 and (name HD1 or name HD2 )) (resid 27 and (name HG2 or name HG1 )) 3.2 3.2 1.1
assign (resid 27 and (name HD2 or name HD1 )) (resid 27 and name HE# ) 3.5 3.5 1.2
assign (resid 27 and (name HD2 or name HD1 )) (resid 27 and (name HG2 or name HG1 )) 3.1 3.1 1.1
assign (resid 27 and name HE# ) (resid 27 and (name HG2 or name HG1 )) 3.7 3.7 1.3
assign (resid 27 and (name HG1 or name HG2 )) (resid 27 and name HN ) 3.2 3.2 1.1
assign (resid 27 and (name HG2 or name HG1 )) (resid 27 and name HN ) 3.5 3.5 1.2
assign (resid 27 and name HB# ) (resid 28 and name HN ) 3.0 3.0 1.1
assign (resid 27 and (name HG1 or name HG2 )) (resid 32 and name HB# ) 3.2 3.2 1.1
assign (resid 27 and (name HG2 or name HG1 )) (resid 33 and name HA ) 3.4 3.4 1.2
assign (resid 27 and (name HD1 or name HD2 )) (resid 34 and name HA ) 4.2 4.2 1.5
assign (resid 27 and (name HG1 or name HG2 )) (resid 34 and name HA ) 3.9 3.9 1.4
assign (resid 27 and (name HG2 or name HG1 )) (resid 34 and name HA ) 4.1 4.1 1.4
assign (resid 28 and name HA ) (resid 28 and (name HB1 or name HB2 )) 2.9 2.9 1.0
assign (resid 28 and name HA ) (resid 28 and (name HB2 or name HB1 )) 2.6 2.6 0.9
assign (resid 28 and name HA ) (resid 28 and (name HD1# or name HD2# )) 2.6 2.6 0.9
assign (resid 28 and name HA ) (resid 28 and (name HD2# or name HD1# )) 3.1 3.1 1.1
assign (resid 28 and name HA ) (resid 28 and name HG ) 2.6 2.6 0.9
assign (resid 28 and name HA ) (resid 28 and name HN ) 2.8 2.8 1.0
assign (resid 28 and (name HB1 or name HB2 )) (resid 28 and (name HD2# or name HD1# )) 2.6 2.6 0.9
assign (resid 28 and (name HB1 or name HB2 )) (resid 28 and name HN ) 2.9 2.9 1.0
assign (resid 28 and (name HB2 or name HB1 )) (resid 28 and (name HD1# or name HD2# )) 2.6 2.6 0.9
assign (resid 28 and (name HB2 or name HB1 )) (resid 28 and name HN ) 2.8 2.8 1.0
assign (resid 28 and (name HD1# or name HD2# )) (resid 28 and name HG ) 2.7 2.7 0.9
assign (resid 28 and (name HD1# or name HD2# )) (resid 28 and name HN ) 3.5 3.5 1.2
assign (resid 28 and (name HD2# or name HD1# )) (resid 28 and name HG ) 2.6 2.6 0.9
assign (resid  28 and name HA  ) (resid  29 and name HN  )  3.5  1.2  1.2
assign (resid 28 and (name HB1 or name HB2 )) (resid 29 and name HA ) 3.7 3.7 1.3
assign (resid 28 and (name HB1 or name HB2 )) (resid 29 and name HN ) 3.1 3.1 1.1
assign (resid 28 and (name HB2 or name HB1 )) (resid 29 and name HN ) 3.3 3.3 1.2
assign (resid  28 and name HA  ) (resid  31 and name HN  )  4.0  1.4  1.4
assign (resid 29 and name HA ) (resid 29 and (name HB1 or name HB2 )) 3.0 3.0 1.0
assign (resid 29 and name HA ) (resid 29 and (name HB2 or name HB1 )) 2.6 2.6 0.9
assign (resid 29 and name HA ) (resid 29 and name HN ) 3.0 3.0 1.0
assign (resid 29 and (name HB1 or name HB2 )) (resid 29 and name HN ) 3.0 3.0 1.0
assign (resid 29 and (name HB2 or name HB1 )) (resid 29 and name HN ) 3.0 3.0 1.0
assign (resid 29 and name HA ) (resid 30 and (name HG2 or name HG1 )) 4.0 4.0 1.4
assign (resid  29 and name HA  ) (resid  30 and name HN  )  3.5  1.2  1.2
assign (resid 29 and (name HB1 or name HB2 )) (resid 30 and name HA ) 4.2 4.2 1.5
assign (resid 29 and (name HB1 or name HB2 )) (resid 30 and (name HG2 or name HG1 )) 3.2 3.2 1.1
assign (resid 29 and (name HB1 or name HB2 )) (resid 30 and name HN ) 3.2 3.2 1.1
assign (resid 29 and (name HB2 or name HB1 )) (resid 30 and name HA ) 4.0 4.0 1.4
assign (resid 29 and (name HB2 or name HB1 )) (resid 30 and (name HG1 or name HG2 )) 3.5 3.5 1.2
assign (resid 29 and (name HB2 or name HB1 )) (resid 30 and (name HG2 or name HG1 )) 3.2 3.2 1.1
assign (resid 29 and (name HB2 or name HB1 )) (resid 30 and name HN ) 3.3 3.3 1.1
assign (resid 30 and name HA ) (resid 30 and (name HB1 or name HB2 )) 3.1 3.1 1.1
assign (resid 30 and name HA ) (resid 30 and (name HB2 or name HB1 )) 2.6 2.6 0.9
assign (resid 30 and name HA ) (resid 30 and name HD# ) 2.5 2.5 0.9
assign (resid 30 and name HA ) (resid 30 and (name HG1 or name HG2 )) 3.7 3.7 1.3
assign (resid 30 and name HA ) (resid 30 and (name HG2 or name HG1 )) 3.7 3.7 1.3
assign (resid 30 and name HA ) (resid 30 and name HN ) 3.1 3.1 1.1
assign (resid 30 and (name HB1 or name HB2 )) (resid 30 and (name HG1 or name HG2 )) 2.8 2.8 1.0
assign (resid 30 and (name HB1 or name HB2 )) (resid 30 and (name HG2 or name HG1 )) 3.0 3.0 1.1
assign (resid 30 and (name HB1 or name HB2 )) (resid 30 and name HN ) 3.4 3.4 1.2
assign (resid 30 and (name HB2 or name HB1 )) (resid 30 and (name HG1 or name HG2 )) 2.8 2.8 1.0
assign (resid 30 and (name HB2 or name HB1 )) (resid 30 and (name HG2 or name HG1 )) 3.2 3.2 1.1
assign (resid 30 and (name HB2 or name HB1 )) (resid 30 and name HN ) 3.4 3.4 1.2
assign (resid 30 and name HD# ) (resid 30 and (name HE1 or name HE2 )) 2.6 2.6 0.9
assign (resid 30 and name HD# ) (resid 30 and (name HE2 or name HE1 )) 2.6 2.6 0.9
assign (resid 30 and name HD# ) (resid 30 and (name HG2 or name HG1 )) 2.8 2.8 1.0
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assign (resid 30 and (name HE2 or name HE1 )) (resid 30 and (name HG2 or name HG1 )) 3.1 3.1 1.1
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assign (resid 30 and (name HG2 or name HG1 )) (resid 30 and name HN ) 3.7 3.7 1.3
assign (resid  30 and name HA  ) (resid  31 and name HN  )  3.4  1.2  1.2
assign (resid 30 and (name HB1 or name HB2 )) (resid 31 and name HN ) 4.5 4.5 1.6
assign (resid 30 and (name HB2 or name HB1 )) (resid 31 and name HN ) 4.2 4.2 1.5
assign (resid  30 and name HA  ) (resid  32 and name HN  )  4.4  1.6  1.6
assign (resid 30 and (name HB1 or name HB2 )) (resid 32 and name HA ) 4.1 4.1 1.4
assign (resid 30 and (name HB1 or name HB2 )) (resid 32 and name HB# ) 3.8 3.8 1.3
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assign (resid 30 and (name HB2 or name HB1 )) (resid 32 and name HB# ) 3.7 3.7 1.3
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assign (resid 31 and name HB# ) (resid 31 and name HD2 ) 4.3 4.3 1.5
assign (resid 31 and name HB# ) (resid 31 and name HN ) 3.7 3.7 1.3
assign (resid  31 and name HA  ) (resid  32 and name HN  )  3.0  1.0  1.0
assign (resid 32 and name HA ) (resid 32 and name HB# ) 2.5 2.5 0.9
assign (resid 32 and name HA ) (resid 32 and name HN ) 3.0 3.0 1.0
assign (resid 32 and name HB# ) (resid 32 and name HN ) 2.6 2.6 0.9
assign (resid 32 and name HA ) (resid 33 and (name HB1 or name HB2 )) 3.6 3.6 1.2
assign (resid 32 and name HA ) (resid 33 and (name HB2 or name HB1 )) 4.0 4.0 1.4
assign (resid  32 and name HA  ) (resid  33 and name HN  )  2.7  0.9  0.9
assign (resid 32 and name HB# ) (resid 33 and name HN ) 2.6 2.6 0.9
assign (resid  32 and name HA  ) (resid  34 and name HN  )  4.2  1.5  1.5
assign (resid 32 and name HB# ) (resid 34 and name HN ) 3.0 3.0 1.0
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assign (resid 32 and name HB# ) (resid 49 and (name HB1 or name HB2 )) 2.8 2.8 1.0
assign (resid 32 and name HB# ) (resid 49 and (name HB2 or name HB1 )) 2.5 2.5 0.9
assign (resid 32 and name HB# ) (resid 50 and name HN ) 3.2 3.2 1.1
assign (resid 32 and name HA ) (resid 51 and (name HE1 or name HE2 )) 3.3 3.3 1.1
assign (resid 32 and name HB# ) (resid 51 and (name HE1 or name HE2 )) 3.4 3.4 1.2
assign (resid 33 and name HA ) (resid 33 and (name HB1 or name HB2 )) 3.2 3.2 1.1
assign (resid 33 and name HA ) (resid 33 and (name HB2 or name HB1 )) 2.6 2.6 0.9
assign (resid 33 and name HA ) (resid 33 and (name HD1 or name HD2 )) 3.4 3.4 1.2
assign (resid 33 and name HA ) (resid 33 and (name HD2 or name HD1 )) 3.5 3.5 1.2
assign (resid 33 and name HA ) (resid 33 and (name HG1 or name HG2 )) 3.4 3.4 1.2
assign (resid 33 and name HA ) (resid 33 and (name HG2 or name HG1 )) 3.3 3.3 1.2
assign (resid 33 and name HA ) (resid 33 and name HN ) 3.0 3.0 1.1
assign (resid 33 and (name HB1 or name HB2 )) (resid 33 and (name HD1 or name HD2 )) 3.6 3.6 1.2
assign (resid 33 and (name HB1 or name HB2 )) (resid 33 and (name HD2 or name HD1 )) 3.6 3.6 1.3
assign (resid 33 and (name HB1 or name HB2 )) (resid 33 and name HN ) 3.3 3.3 1.2
assign (resid 33 and (name HB2 or name HB1 )) (resid 33 and (name HD1 or name HD2 )) 3.5 3.5 1.2
assign (resid 33 and (name HB2 or name HB1 )) (resid 33 and (name HD2 or name HD1 )) 3.4 3.4 1.2
assign (resid 33 and (name HB2 or name HB1 )) (resid 33 and name HN ) 3.4 3.4 1.2
assign (resid 33 and (name HD1 or name HD2 )) (resid 33 and (name HG1 or name HG2 )) 2.8 2.8 1.0
assign (resid 33 and (name HD1 or name HD2 )) (resid 33 and (name HG2 or name HG1 )) 3.5 3.5 1.2
assign (resid 33 and (name HD2 or name HD1 )) (resid 33 and (name HG1 or name HG2 )) 3.5 3.5 1.2
assign (resid 33 and (name HD2 or name HD1 )) (resid 33 and (name HG2 or name HG1 )) 3.5 3.5 1.2
assign (resid 33 and (name HG1 or name HG2 )) (resid 33 and name HN ) 3.7 3.7 1.3
assign (resid 33 and (name HG2 or name HG1 )) (resid 33 and name HN ) 3.9 3.9 1.4
assign (resid  33 and name HA  ) (resid  34 and name HN  )  3.6  1.3  1.3
assign (resid 33 and (name HB1 or name HB2 )) (resid 34 and name HN ) 3.8 3.8 1.3
assign (resid 33 and (name HB2 or name HB1 )) (resid 34 and name HN ) 4.1 4.1 1.4
assign (resid 33 and (name HB2 or name HB1 )) (resid 51 and name HA ) 2.9 2.9 1.0
assign (resid 33 and (name HD2 or name HD1 )) (resid 51 and name HA ) 3.8 3.8 1.3
assign (resid  33 and name HN  ) (resid  51 and name HA  )  2.7  1.0  1.0
assign (resid 33 and (name HD1 or name HD2 )) (resid 52 and name HA ) 3.2 3.2 1.1
assign (resid 33 and (name HD2 or name HD1 )) (resid 52 and name HA ) 4.2 4.2 1.5
assign (resid 34 and name HA ) (resid 34 and (name HB1 or name HB2 )) 2.7 2.7 1.0
assign (resid 34 and name HA ) (resid 34 and (name HB2 or name HB1 )) 2.7 2.7 0.9
assign (resid 34 and (name HB1 or name HB2 )) (resid 34 and name HN ) 3.9 3.9 1.4
assign (resid 34 and (name HB2 or name HB1 )) (resid 34 and name HN ) 4.0 4.0 1.4
assign (resid 34 and name HA ) (resid 35 and (name HA1 or name HA2 )) 3.3 3.3 1.2
assign (resid 34 and name HA ) (resid 35 and (name HA2 or name HA1 )) 3.2 3.2 1.1
assign (resid 34 and (name HB1 or name HB2 )) (resid 35 and name HN ) 3.0 3.0 1.1
assign (resid 34 and (name HB2 or name HB1 )) (resid 35 and name HN ) 2.7 2.7 0.9
assign (resid 34 and name HN ) (resid 35 and (name HA1 or name HA2 )) 4.2 4.2 1.5
assign (resid 34 and name HN ) (resid 35 and (name HA2 or name HA1 )) 4.2 4.2 1.5
assign (resid 34 and (name HB2 or name HB1 )) (resid 50 and (name HB1 or name HB2 )) 4.2 4.2 1.5
assign (resid 34 and name HN ) (resid 50 and (name HB1 or name HB2 )) 3.8 3.8 1.3
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assign (resid 35 and (name HA1 or name HA2 )) (resid 35 and name HN ) 2.9 2.9 1.0
assign (resid 35 and (name HA2 or name HA1 )) (resid 35 and name HN ) 3.0 3.0 1.1
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assign (resid 35 and (name HA1 or name HA2 )) (resid 36 and name HN ) 2.7 2.7 0.9
assign (resid 35 and (name HA2 or name HA1 )) (resid 36 and (name HB2 or name HB1 )) 4.4 4.4 1.5
assign (resid 35 and (name HA2 or name HA1 )) (resid 36 and name HG# ) 3.9 3.9 1.4
assign (resid 35 and (name HA2 or name HA1 )) (resid 36 and name HN ) 2.6 2.6 0.9
assign (resid 35 and (name HA2 or name HA1 )) (resid 48 and (name HG2# or name HD1# )) 4.1 4.1 1.4
assign (resid 35 and (name HA1 or name HA2 )) (resid 49 and name HA ) 2.8 2.8 1.0
assign (resid 35 and (name HA2 or name HA1 )) (resid 49 and name HA ) 2.7 2.7 0.9
assign (resid 35 and (name HA1 or name HA2 )) (resid 50 and name HN ) 3.6 3.6 1.3
assign (resid 35 and (name HA2 or name HA1 )) (resid 50 and (name HB1 or name HB2 )) 4.0 4.0 1.4
assign (resid 35 and (name HA2 or name HA1 )) (resid 50 and (name HB2 or name HB1 )) 3.5 3.5 1.2
assign (resid 35 and (name HA2 or name HA1 )) (resid 50 and name HN ) 3.2 3.2 1.1
assign (resid 36 and name HA ) (resid 36 and (name HB1 or name HB2 )) 2.4 2.4 0.8
assign (resid 36 and name HA ) (resid 36 and (name HB2 or name HB1 )) 3.0 3.0 1.0
assign (resid 36 and name HA ) (resid 36 and name HN ) 2.9 2.9 1.0
assign (resid 36 and (name HB1 or name HB2 )) (resid 36 and name HN ) 3.7 3.7 1.3
assign (resid 36 and (name HB2 or name HB1 )) (resid 36 and name HN ) 3.9 3.9 1.4
assign (resid  36 and name HA  ) (resid  37 and name HN  )  2.4  0.9  0.9
assign (resid 36 and (name HB1 or name HB2 )) (resid 37 and name HA ) 3.9 3.9 1.4
assign (resid 36 and (name HB2 or name HB1 )) (resid 37 and name HN ) 3.7 3.7 1.3
assign (resid 36 and (name HB1 or name HB2 )) (resid 38 and (name HE1 or name HE2 )) 3.9 3.9 1.4
assign (resid 36 and (name HB1 or name HB2 )) (resid 38 and name HZ ) 3.9 3.9 1.4
assign (resid 36 and (name HB2 or name HB1 )) (resid 38 and (name HE1 or name HE2 )) 3.9 3.9 1.4
assign (resid  36 and name HN  ) (resid  49 and name HA  )  3.7  1.3  1.3
assign (resid 37 and name HA ) (resid 37 and (name HB1 or name HB2 )) 3.0 3.0 1.0
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assign (resid 37 and name HA ) (resid 37 and name HN ) 2.9 2.9 1.0
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assign (resid 37 and (name HB2 or name HB1 )) (resid 37 and name HN ) 3.1 3.1 1.1
assign (resid  37 and name HA  ) (resid  38 and name HA  )  3.8  1.3  1.3
assign (resid 37 and name HA ) (resid 38 and (name HB2 or name HB1 )) 4.2 4.2 1.5
assign (resid  37 and name HA  ) (resid  38 and name HN  )  2.5  0.9  0.9
assign (resid 37 and (name HB1 or name HB2 )) (resid 38 and name HN ) 3.6 3.6 1.3
assign (resid 37 and (name HB2 or name HB1 )) (resid 38 and name HN ) 3.0 3.0 1.1
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assign (resid 37 and (name HB1 or name HB2 )) (resid 45 and (name HB2 or name HB1 )) 3.9 3.9 1.4
assign (resid 37 and (name HB2 or name HB1 )) (resid 45 and (name HB1 or name HB2 )) 3.6 3.6 1.3
assign (resid 37 and (name HB2 or name HB1 )) (resid 45 and (name HB2 or name HB1 )) 3.2 3.2 1.1
assign (resid 37 and (name HB2 or name HB1 )) (resid 45 and (name HD1# or name HD2# )) 2.9 2.9 1.0
assign (resid  37 and name HA  ) (resid  46 and name HN  )  4.0  1.4  1.4
assign (resid 37 and (name HB2 or name HB1 )) (resid 46 and name HN ) 4.0 4.0 1.4
assign (resid  37 and name HA  ) (resid  47 and name HA  )  2.6  0.9  0.9
assign (resid 37 and (name HB1 or name HB2 )) (resid 47 and name HA ) 4.4 4.4 1.5
assign (resid 37 and name HA ) (resid 48 and (name HD1# or name HG2# )) 4.4 4.4 1.5
assign (resid 38 and name HA ) (resid 38 and (name HB1 or name HB2 )) 2.7 2.7 0.9
assign (resid 38 and name HA ) (resid 38 and (name HB2 or name HB1 )) 2.9 2.9 1.0
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assign (resid 38 and name HA ) (resid 38 and name HN ) 3.0 3.0 1.1
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assign (resid 38 and (name HB1 or name HB2 )) (resid 38 and name HN ) 3.4 3.4 1.2
assign (resid 38 and (name HB2 or name HB1 )) (resid 38 and (name HD1 or name HD2 )) 3.3 3.3 1.2
assign (resid 38 and (name HB2 or name HB1 )) (resid 38 and name HN ) 3.2 3.2 1.1
assign (resid  38 and name HA  ) (resid  39 and name HN  )  2.5  0.9  0.9
assign (resid 38 and (name HB1 or name HB2 )) (resid 39 and name HN ) 3.0 3.0 1.0
assign (resid 38 and (name HB2 or name HB1 )) (resid 39 and name HN ) 3.4 3.4 1.2
assign (resid  38 and name HN  ) (resid  47 and name HA  )  3.6  1.3  1.3
assign (resid 38 and (name HB1 or name HB2 )) (resid 48 and (name HD1# or name HG2# )) 3.4 3.4 1.2
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assign (resid 38 and (name HB2 or name HB1 )) (resid 48 and (name HD1# or name HG2# )) 3.1 3.1 1.1
assign (resid 38 and (name HB2 or name HB1 )) (resid 48 and (name HG12 or name HG11 )) 3.6 3.6 1.2
assign (resid 38 and name HN ) (resid 48 and (name HD1# or name HG2# )) 4.2 4.2 1.5
assign (resid  38 and name HZ  ) (resid  48 and name HB  )  3.6  1.2  1.2
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assign (resid  39 and name HA  ) (resid  40 and name HN  )  2.4  0.9  0.9
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assign (resid 39 and name HB# ) (resid 43 and name HA ) 2.7 2.7 0.9
assign (resid 39 and name HB# ) (resid 43 and name HN ) 3.9 3.9 1.4
assign (resid  39 and name HA  ) (resid  45 and name HA  )  2.7  0.9  0.9
assign (resid 39 and name HA ) (resid 45 and (name HB1 or name HB2 )) 4.4 4.4 1.5
assign (resid 39 and name HA ) (resid 45 and (name HD1# or name HD2# )) 3.5 3.5 1.2
assign (resid 39 and name HA ) (resid 45 and (name HD2# or name HD1# )) 3.5 3.5 1.2
assign (resid  39 and name HA  ) (resid  45 and name HG  )  3.8  1.3  1.3
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assign (resid  39 and name HA  ) (resid  46 and name HN  )  3.2  1.1  1.1
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assign (resid 40 and name HA ) (resid 40 and (name HB2 or name HB1 )) 2.5 2.5 0.9
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assign (resid 40 and (name HB2 or name HB1 )) (resid 41 and name HN ) 2.9 2.9 1.0
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assign (resid  40 and name HN  ) (resid  43 and name HA  )  3.9  1.4  1.4
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assign (resid 40 and name HN ) (resid 45 and (name HD2# or name HD1# )) 3.9 3.9 1.4
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assign (resid 41 and name HB# ) (resid 41 and name HN ) 2.9 2.9 1.0
assign (resid  41 and name HA  ) (resid  42 and name HN  )  3.2  1.1  1.1
assign (resid 41 and name HB# ) (resid 42 and name HN ) 3.7 3.7 1.3
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assign (resid 42 and name HA ) (resid 42 and (name HB2 or name HB1 )) 2.9 2.9 1.0
assign (resid 42 and name HA ) (resid 42 and (name HD1 or name HD2 )) 3.3 3.3 1.1
assign (resid 42 and name HA ) (resid 42 and (name HG1 or name HG2 )) 3.4 3.4 1.2
assign (resid 42 and name HA ) (resid 42 and (name HG2 or name HG1 )) 2.8 2.8 1.0
assign (resid 42 and name HA ) (resid 42 and name HN ) 2.9 2.9 1.0
assign (resid 42 and (name HB1 or name HB2 )) (resid 42 and (name HG1 or name HG2 )) 2.8 2.8 1.0
assign (resid 42 and (name HB1 or name HB2 )) (resid 42 and (name HG2 or name HG1 )) 3.1 3.1 1.1
assign (resid 42 and (name HB1 or name HB2 )) (resid 42 and name HN ) 3.2 3.2 1.1
assign (resid 42 and (name HB2 or name HB1 )) (resid 42 and (name HG1 or name HG2 )) 2.9 2.9 1.0
assign (resid 42 and (name HB2 or name HB1 )) (resid 42 and name HN ) 3.1 3.1 1.1
assign (resid 42 and name HE# ) (resid 42 and (name HG1 or name HG2 )) 2.8 2.8 1.0
assign (resid 42 and (name HG1 or name HG2 )) (resid 42 and name HN ) 3.8 3.8 1.3
assign (resid 42 and (name HG2 or name HG1 )) (resid 42 and name HN ) 3.7 3.7 1.3
assign (resid  42 and name HA  ) (resid  43 and name HN  )  3.2  1.1  1.1
assign (resid 42 and (name HB1 or name HB2 )) (resid 43 and name HN ) 4.4 4.4 1.5
assign (resid 42 and (name HB2 or name HB1 )) (resid 43 and name HN ) 4.1 4.1 1.4
assign (resid 42 and (name HB2 or name HB1 )) (resid 44 and name HD21 ) 4.0 4.0 1.4
assign (resid 43 and name HA ) (resid 43 and name HB# ) 2.6 2.6 0.9
assign (resid 43 and name HA ) (resid 43 and name HD# ) 3.0 3.0 1.1
assign (resid 43 and name HA ) (resid 43 and name HE ) 3.4 3.4 1.2
assign (resid 43 and name HA ) (resid 43 and (name HG1 or name HG2 )) 3.0 3.0 1.1
assign (resid 43 and name HA ) (resid 43 and name HN ) 2.6 2.6 0.9
assign (resid 43 and name HB# ) (resid 43 and name HD# ) 3.2 3.2 1.1
assign (resid 43 and name HD# ) (resid 43 and (name HG1 or name HG2 )) 3.4 3.4 1.2
assign (resid 43 and name HD# ) (resid 43 and (name HG2 or name HG1 )) 3.4 3.4 1.2
assign (resid 43 and (name HG1 or name HG2 )) (resid 43 and name HN ) 4.1 4.1 1.4
assign (resid  43 and name HA  ) (resid  44 and name HN  )  3.1  1.1  1.1
assign (resid 43 and (name HG1 or name HG2 )) (resid 44 and name HA ) 4.0 4.0 1.4
assign (resid 44 and name HA ) (resid 44 and (name HB1 or name HB2 )) 3.0 3.0 1.0
assign (resid 44 and name HA ) (resid 44 and (name HB2 or name HB1 )) 2.7 2.7 0.9
assign (resid 44 and name HA ) (resid 44 and name HD21 ) 4.3 4.3 1.5
assign (resid 44 and name HA ) (resid 44 and name HN ) 3.0 3.0 1.1
assign (resid 44 and (name HB1 or name HB2 )) (resid 44 and name HD21 ) 3.3 3.3 1.2
assign (resid 44 and (name HB1 or name HB2 )) (resid 44 and name HD22 ) 2.8 2.8 1.0
assign (resid 44 and (name HB1 or name HB2 )) (resid 44 and name HN ) 2.9 2.9 1.0
assign (resid 44 and (name HB2 or name HB1 )) (resid 44 and name HD21 ) 3.5 3.5 1.2
assign (resid 44 and (name HB2 or name HB1 )) (resid 44 and name HD22 ) 3.0 3.0 1.1
assign (resid 44 and (name HB2 or name HB1 )) (resid 44 and name HN ) 3.1 3.1 1.1
assign (resid 44 and name HA ) (resid 45 and (name HB2 or name HB1 )) 4.3 4.3 1.5
assign (resid  44 and name HA  ) (resid  45 and name HG  )  3.8  1.3  1.3
assign (resid  44 and name HA  ) (resid  45 and name HN  )  2.5  0.9  0.9
assign (resid 44 and (name HB1 or name HB2 )) (resid 45 and name HN ) 3.6 3.6 1.2
assign (resid 44 and (name HB2 or name HB1 )) (resid 45 and name HN ) 3.2 3.2 1.1
assign (resid 45 and name HA ) (resid 45 and (name HB1 or name HB2 )) 2.9 2.9 1.0
assign (resid 45 and name HA ) (resid 45 and (name HB2 or name HB1 )) 2.7 2.7 0.9
assign (resid 45 and name HA ) (resid 45 and (name HD1# or name HD2# )) 2.7 2.7 1.0
assign (resid 45 and name HA ) (resid 45 and (name HD2# or name HD1# )) 2.9 2.9 1.0
assign (resid 45 and name HA ) (resid 45 and name HG ) 3.8 3.8 1.3
assign (resid 45 and (name HB1 or name HB2 )) (resid 45 and (name HD1# or name HD2# )) 2.9 2.9 1.0
assign (resid 45 and (name HB1 or name HB2 )) (resid 45 and (name HD2# or name HD1# )) 2.9 2.9 1.0
assign (resid 45 and (name HB1 or name HB2 )) (resid 45 and name HN ) 2.9 2.9 1.0
assign (resid 45 and (name HB2 or name HB1 )) (resid 45 and (name HD1# or name HD2# )) 3.0 3.0 1.1
assign (resid 45 and (name HB2 or name HB1 )) (resid 45 and (name HD2# or name HD1# )) 2.9 2.9 1.0
assign (resid 45 and (name HB2 or name HB1 )) (resid 45 and name HN ) 2.9 2.9 1.0
assign (resid 45 and (name HD1# or name HD2# )) (resid 45 and name HG ) 2.4 2.4 0.8
assign (resid 45 and (name HD1# or name HD2# )) (resid 45 and name HN ) 2.9 2.9 1.0
assign (resid 45 and (name HD2# or name HD1# )) (resid 45 and name HG ) 2.8 2.8 1.0
assign (resid 45 and name HG ) (resid 45 and name HN ) 3.5 3.5 1.2
assign (resid 45 and name HA ) (resid 46 and (name HB2 or name HB1 )) 4.0 4.0 1.4
assign (resid 45 and name HA ) (resid 46 and name HG# ) 3.7 3.7 1.3
assign (resid  45 and name HA  ) (resid  46 and name HN  )  2.4  0.8  0.8
assign (resid 45 and (name HD2# or name HD1# )) (resid 46 and name HN ) 3.9 3.9 1.4
assign (resid 46 and name HA ) (resid 46 and (name HB1 or name HB2 )) 2.6 2.6 0.9
assign (resid 46 and name HA ) (resid 46 and (name HB2 or name HB1 )) 2.8 2.8 1.0
assign (resid 46 and name HA ) (resid 46 and name HG# ) 2.7 2.7 0.9
assign (resid 46 and name HA ) (resid 46 and name HN ) 3.0 3.0 1.0
assign (resid 46 and (name HB2 or name HB1 )) (resid 46 and name HN ) 3.6 3.6 1.3
assign (resid 46 and name HE21 ) (resid 46 and name HG# ) 3.8 3.8 1.3
assign (resid 46 and name HE22 ) (resid 46 and name HG# ) 3.4 3.4 1.2
assign (resid  46 and name HA  ) (resid  47 and name HN  )  2.5  0.9  0.9
assign (resid 46 and (name HB1 or name HB2 )) (resid 47 and name HN ) 3.9 3.9 1.4
assign (resid 46 and (name HG1 or name HG2 )) (resid 47 and name HN ) 4.0 4.0 1.4
assign (resid 46 and (name HB2 or name HB1 )) (resid 48 and (name HD1# or name HG2# )) 3.0 3.0 1.0
assign (resid 46 and name HN ) (resid 48 and (name HD1# or name HG2# )) 4.2 4.2 1.5
assign (resid 47 and name HA ) (resid 47 and (name HB1 or name HB2 )) 2.7 2.7 1.0
assign (resid 47 and name HA ) (resid 47 and (name HB2 or name HB1 )) 3.1 3.1 1.1
assign (resid 47 and name HA ) (resid 47 and name HN ) 3.3 3.3 1.1
assign (resid 47 and (name HB1 or name HB2 )) (resid 47 and name HN ) 2.9 2.9 1.0
assign (resid 47 and (name HB2 or name HB1 )) (resid 47 and name HN ) 2.8 2.8 1.0
assign (resid  47 and name HA  ) (resid  48 and name HB  )  3.9  1.4  1.4
assign (resid 47 and name HA ) (resid 48 and (name HG11 or name HG12 )) 4.3 4.3 1.5
assign (resid  47 and name HA  ) (resid  48 and name HN  )  2.5  0.9  0.9
assign (resid 47 and name HN ) (resid 48 and (name HD1# or name HG2# )) 4.0 4.0 1.4
assign (resid 48 and name HA ) (resid 48 and name HB ) 3.0 3.0 1.1
assign (resid 48 and name HA ) (resid 48 and (name HD1# or name HG2# )) 3.2 3.2 1.1
assign (resid 48 and name HA ) (resid 48 and (name HG11 or name HG12 )) 2.9 2.9 1.0
assign (resid 48 and name HA ) (resid 48 and (name HG12 or name HG11 )) 3.2 3.2 1.1
assign (resid 48 and name HA ) (resid 48 and (name HG2# or name HD1# )) 2.7 2.7 0.9
assign (resid 48 and name HA ) (resid 48 and name HN ) 3.3 3.3 1.1
assign (resid 48 and name HB ) (resid 48 and (name HD1# or name HG2# )) 2.9 2.9 1.0
assign (resid 48 and name HB ) (resid 48 and (name HG11 or name HG12 )) 3.3 3.3 1.1
assign (resid 48 and name HB ) (resid 48 and (name HG12 or name HG11 )) 3.1 3.1 1.1
assign (resid 48 and name HB ) (resid 48 and (name HG2# or name HD1# )) 2.5 2.5 0.9
assign (resid 48 and name HB ) (resid 48 and name HN ) 3.0 3.0 1.1
assign (resid 48 and (name HD1# or name HG2# )) (resid 48 and (name HG11 or name HG12 )) 2.6 2.6 0.9
assign (resid 48 and (name HD1# or name HG2# )) (resid 48 and (name HG12 or name HG11 )) 2.8 2.8 1.0
assign (resid 48 and (name HD1# or name HG2# )) (resid 48 and name HN ) 3.9 3.9 1.4
assign (resid 48 and (name HG11 or name HG12 )) (resid 48 and (name HG2# or name HD1# )) 2.6 2.6 0.9
assign (resid 48 and (name HG11 or name HG12 )) (resid 48 and name HN ) 3.8 3.8 1.3
assign (resid 48 and (name HG12 or name HG11 )) (resid 48 and name HN ) 3.5 3.5 1.2
assign (resid 48 and (name HG2# or name HD1# )) (resid 48 and name HN ) 3.5 3.5 1.2
assign (resid  48 and name HA  ) (resid  49 and name HA  )  4.0  1.4  1.4
assign (resid 48 and name HA ) (resid 49 and (name HB2 or name HB1 )) 4.2 4.2 1.5
assign (resid  48 and name HA  ) (resid  49 and name HN  )  2.5  0.9  0.9
assign (resid 48 and (name HG2# or name HD1# )) (resid 49 and name HA ) 4.2 4.2 1.5
assign (resid 48 and (name HG2# or name HD1# )) (resid 49 and name HN ) 3.0 3.0 1.0
assign (resid 49 and name HA ) (resid 49 and (name HB1 or name HB2 )) 3.0 3.0 1.0
assign (resid 49 and name HA ) (resid 49 and (name HB2 or name HB1 )) 2.7 2.7 1.0
assign (resid 49 and name HA ) (resid 49 and name HN ) 3.2 3.2 1.1
assign (resid 49 and (name HB1 or name HB2 )) (resid 49 and name HN ) 3.1 3.1 1.1
assign (resid 49 and (name HB2 or name HB1 )) (resid 49 and name HN ) 2.9 2.9 1.0
assign (resid  49 and name HA  ) (resid  50 and name HN  )  2.6  0.9  0.9
assign (resid 49 and (name HB1 or name HB2 )) (resid 50 and name HN ) 3.5 3.5 1.2
assign (resid 49 and (name HB2 or name HB1 )) (resid 50 and name HN ) 3.4 3.4 1.2
assign (resid 49 and (name HB1 or name HB2 )) (resid 51 and (name HE1 or name HE2 )) 3.3 3.3 1.2
assign (resid 49 and (name HB2 or name HB1 )) (resid 51 and (name HE1 or name HE2 )) 3.1 3.1 1.1
assign (resid 50 and name HA ) (resid 50 and (name HB1 or name HB2 )) 3.0 3.0 1.1
assign (resid 50 and name HA ) (resid 50 and (name HB2 or name HB1 )) 2.8 2.8 1.0
assign (resid 50 and name HA ) (resid 50 and name HN ) 3.3 3.3 1.2
assign (resid 50 and name HA ) (resid 51 and (name HB2 or name HB1 )) 3.7 3.7 1.3
assign (resid 50 and name HA ) (resid 51 and (name HD1 or name HD2 )) 4.0 4.0 1.4
assign (resid  50 and name HA  ) (resid  51 and name HN  )  2.5  0.9  0.9
assign (resid  50 and name HA  ) (resid  52 and name HN  )  3.6  1.3  1.3
assign (resid  50 and name HA  ) (resid  54 and name HA  )  4.3  1.5  1.5
assign (resid 50 and (name HB1 or name HB2 )) (resid 54 and name HA ) 2.6 2.6 0.9
assign (resid 51 and name HA ) (resid 51 and (name HB1 or name HB2 )) 2.8 2.8 1.0
assign (resid 51 and name HA ) (resid 51 and (name HB2 or name HB1 )) 3.1 3.1 1.1
assign (resid 51 and name HA ) (resid 51 and name HN ) 3.2 3.2 1.1
assign (resid 51 and (name HB1 or name HB2 )) (resid 51 and (name HD1 or name HD2 )) 3.0 3.0 1.1
assign (resid 51 and (name HB1 or name HB2 )) (resid 51 and name HN ) 3.1 3.1 1.1
assign (resid 51 and (name HB2 or name HB1 )) (resid 51 and (name HD1 or name HD2 )) 3.3 3.3 1.1
assign (resid 51 and (name HB2 or name HB1 )) (resid 51 and name HN ) 2.9 2.9 1.0
assign (resid  51 and name HA  ) (resid  52 and name HN  )  3.5  1.2  1.2
assign (resid 52 and name HA ) (resid 52 and (name HB1 or name HB2 )) 2.7 2.7 0.9
assign (resid 52 and name HA ) (resid 52 and (name HB2 or name HB1 )) 3.0 3.0 1.0
assign (resid 52 and name HA ) (resid 52 and name HN ) 3.1 3.1 1.1
assign (resid 52 and (name HB1 or name HB2 )) (resid 52 and name HN ) 3.0 3.0 1.1
assign (resid 52 and (name HB2 or name HB1 )) (resid 52 and name HN ) 2.9 2.9 1.0
assign (resid  52 and name HA  ) (resid  53 and name HN  )  2.7  1.0  1.0
assign (resid 52 and (name HB1 or name HB2 )) (resid 53 and name HA ) 4.2 4.2 1.5
assign (resid 52 and (name HB1 or name HB2 )) (resid 53 and name HN ) 2.9 2.9 1.0
assign (resid 52 and (name HB2 or name HB1 )) (resid 53 and name HA ) 3.7 3.7 1.3
assign (resid 52 and (name HB2 or name HB1 )) (resid 53 and name HN ) 3.1 3.1 1.1
assign (resid 52 and (name HB2 or name HB1 )) (resid 54 and name HN ) 4.3 4.3 1.5
assign (resid 53 and name HA ) (resid 53 and (name HB1 or name HB2 )) 3.0 3.0 1.1
assign (resid 53 and name HA ) (resid 53 and (name HG1 or name HG2 )) 3.5 3.5 1.2
assign (resid 53 and name HA ) (resid 53 and (name HG2 or name HG1 )) 3.1 3.1 1.1
assign (resid 53 and name HA ) (resid 53 and name HN ) 3.0 3.0 1.1
assign (resid 53 and (name HB1 or name HB2 )) (resid 53 and (name HG2 or name HG1 )) 2.5 2.5 0.9
assign (resid 53 and (name HB1 or name HB2 )) (resid 53 and name HN ) 3.5 3.5 1.2
assign (resid  53 and name HA  ) (resid  54 and name HN  )  2.5  0.9  0.9
assign (resid 53 and (name HB1 or name HB2 )) (resid 54 and name HN ) 3.7 3.7 1.3
assign (resid 54 and name HA ) (resid 54 and (name HB1 or name HB2 )) 2.7 2.7 0.9
assign (resid 54 and name HA ) (resid 54 and (name HB2 or name HB1 )) 2.9 2.9 1.0
assign (resid 54 and name HA ) (resid 54 and name HN ) 3.0 3.0 1.0
assign (resid 54 and (name HB1 or name HB2 )) (resid 54 and (name HD1 or name HD2 )) 3.2 3.2 1.1
assign (resid 54 and (name HB1 or name HB2 )) (resid 54 and name HN ) 3.2 3.2 1.1
assign (resid 54 and (name HB2 or name HB1 )) (resid 54 and (name HD1 or name HD2 )) 3.3 3.3 1.1
assign (resid 54 and (name HB2 or name HB1 )) (resid 54 and name HN ) 2.9 2.9 1.0
assign (resid   3 and name HA  ) (resid   4 and name HN  )  2.7  1.0  1.0
assign (resid 3 and (name HB1 or name HB2 )) (resid 4 and name HN ) 3.1 3.1 1.1
assign (resid 3 and name HG# ) (resid 4 and name HN ) 3.4 3.4 1.2
assign (resid 4 and name HA ) (resid 4 and name HN ) 2.8 2.8 1.0
assign (resid 4 and (name HB1 or name HB2 )) (resid 4 and name HN ) 3.1 3.1 1.1
assign (resid 4 and (name HB2 or name HB1 )) (resid 4 and name HN ) 2.7 2.7 1.0
assign (resid 4 and (name HB1 or name HB2 )) (resid 5 and name HN ) 3.4 3.4 1.2
assign (resid   4 and name HN  ) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   4 and name HA  ) (resid  51 and name HN  )  3.5  1.2  1.2
assign (resid 4 and (name HB1 or name HB2 )) (resid 51 and name HN ) 3.2 3.2 1.1
assign (resid   4 and name HA  ) (resid  53 and name HN  )  3.6  1.2  1.2
assign (resid 4 and (name HB1 or name HB2 )) (resid 53 and name HN ) 3.9 3.9 1.4
assign (resid 5 and name HA ) (resid 5 and name HN ) 3.0 3.0 1.0
assign (resid 5 and (name HB1 or name HB2 )) (resid 5 and name HN ) 2.7 2.7 0.9
assign (resid 5 and name HD# ) (resid 5 and name HN ) 2.9 2.9 1.0
assign (resid 5 and (name HG2 or name HG1 )) (resid 5 and name HN ) 2.9 2.9 1.0
assign (resid   5 and name HA  ) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid 5 and name HD# ) (resid 6 and name HN ) 2.9 2.9 1.0
assign (resid   5 and name HN  ) (resid   6 and name HN  )  3.5  1.2  1.2
assign (resid   5 and name HA  ) (resid  49 and name HN  )  4.2  1.5  1.5
assign (resid 5 and name HD# ) (resid 50 and name HN ) 4.0 4.0 1.4
assign (resid 5 and name HD# ) (resid 51 and name HN ) 3.9 3.9 1.4
assign (resid 5 and (name HG2 or name HG1 )) (resid 51 and name HN ) 3.8 3.8 1.3
assign (resid   5 and name HN  ) (resid  51 and name HN  )  4.5  1.6  1.6
assign (resid 6 and name HA ) (resid 6 and name HN ) 3.2 3.2 1.1
assign (resid 6 and (name HB2 or name HB1 )) (resid 6 and name HN ) 2.9 2.9 1.0
assign (resid 6 and name HE# ) (resid 6 and name HN ) 4.3 4.3 1.5
assign (resid 6 and (name HG1 or name HG2 )) (resid 6 and name HN ) 3.1 3.1 1.1
assign (resid   6 and name HA  ) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid 6 and (name HB1 or name HB2 )) (resid 7 and name HN ) 3.0 3.0 1.1
assign (resid 6 and (name HG1 or name HG2 )) (resid 7 and name HN ) 3.3 3.3 1.2
assign (resid   6 and name HN  ) (resid   7 and name HN  )  2.8  1.0  1.0
assign (resid   6 and name HN  ) (resid  48 and name HA  )  3.9  1.4  1.4
assign (resid   6 and name HN  ) (resid  48 and name HB  )  4.4  1.5  1.5
assign (resid 6 and name HN ) (resid 48 and (name HG2# or name HD1# )) 2.8 2.8 1.0
assign (resid 6 and (name HB2 or name HB1 )) (resid 49 and name HN ) 4.0 4.0 1.4
assign (resid 6 and name HN ) (resid 49 and (name HB2 or name HB1 )) 3.4 3.4 1.2
assign (resid   6 and name HN  ) (resid  49 and name HN  )  3.0  1.0  1.0
assign (resid   6 and name HN  ) (resid  50 and name HN  )  4.0  1.4  1.4 !added 1A
assign (resid 6 and name HN ) (resid 51 and (name HD1 or name HD2 )) 3.4 3.4 1.2
assign (resid 6 and name HN ) (resid 51 and (name HE1 or name HE2 )) 3.1 3.1 1.1
assign (resid   6 and name HN  ) (resid  51 and name HN  )  4.1  1.4  1.4
assign (resid 7 and name HA ) (resid 7 and name HN ) 2.8 2.8 1.0
assign (resid 7 and name HB ) (resid 7 and name HN ) 2.5 2.5 0.9
assign (resid 7 and (name HG2# or name HG1# )) (resid 7 and name HN ) 2.6 2.6 0.9
assign (resid   7 and name HA  ) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   7 and name HB  ) (resid   8 and name HN  )  3.3  1.2  1.2
assign (resid 7 and (name HG1# or name HG2# )) (resid 8 and name HN ) 2.8 2.8 1.0
assign (resid   7 and name HN  ) (resid   8 and name HN  )  3.3  1.2  1.2
assign (resid 7 and (name HG1# or name HG2# )) (resid 9 and name HN ) 3.3 3.3 1.1
assign (resid 7 and (name HG1# or name HG2# )) (resid 46 and name HE21 ) 3.8 3.8 1.3
assign (resid 7 and (name HG1# or name HG2# )) (resid 46 and name HE22 ) 3.7 3.7 1.3
assign (resid 7 and (name HG1# or name HG2# )) (resid 47 and name HN ) 3.5 3.5 1.2
assign (resid   7 and name HA  ) (resid  48 and name HN  )  4.0  1.4  1.4
assign (resid   7 and name HN  ) (resid  48 and name HA  )  3.9  1.4  1.4
assign (resid 7 and name HN ) (resid 48 and (name HG11 or name HG12 )) 4.0 4.0 1.4
assign (resid 7 and name HN ) (resid 48 and (name HG12 or name HG11 )) 4.1 4.1 1.5
assign (resid   7 and name HA  ) (resid  49 and name HN  )  3.0  1.0  1.0
assign (resid 8 and (name HB1 or name HB2 )) (resid 8 and name HN ) 2.7 2.7 1.0
assign (resid 8 and (name HB2 or name HB1 )) (resid 8 and name HN ) 2.7 2.7 0.9
assign (resid 8 and (name HD1 or name HD2 )) (resid 8 and name HN ) 3.7 3.7 1.3
assign (resid   8 and name HA  ) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid 8 and (name HB1 or name HB2 )) (resid 9 and name HN ) 3.8 3.8 1.3
assign (resid 8 and (name HB2 or name HB1 )) (resid 9 and name HN ) 3.5 3.5 1.2
assign (resid 8 and (name HD1 or name HD2 )) (resid 9 and name HN ) 3.1 3.1 1.1
assign (resid   8 and name HN  ) (resid   9 and name HA  )  3.5  1.2  1.2
assign (resid   8 and name HN  ) (resid   9 and name HN  )  2.8  1.0  1.0
assign (resid 8 and (name HB1 or name HB2 )) (resid 47 and name HN ) 3.6 3.6 1.3
assign (resid 8 and name HN ) (resid 47 and (name HB1 or name HB2 )) 4.1 4.1 1.4
assign (resid 8 and name HN ) (resid 47 and (name HB2 or name HB1 )) 3.5 3.5 1.2
assign (resid   8 and name HN  ) (resid  48 and name HA  )  2.8  1.0  1.0
assign (resid 8 and name HN ) (resid 48 and (name HD1# or name HG2# )) 3.5 3.5 1.2
assign (resid   8 and name HN  ) (resid  48 and name HN  )  4.0  1.4  1.4
assign (resid   8 and name HN  ) (resid  49 and name HN  )  3.3  1.1  1.1
assign (resid 9 and name HA ) (resid 9 and name HN ) 2.8 2.8 1.0
assign (resid 9 and (name HB2 or name HB1 )) (resid 9 and name HN ) 2.6 2.6 0.9
assign (resid 9 and name HG# ) (resid 9 and name HN ) 2.7 2.7 1.0
assign (resid   9 and name HA  ) (resid  10 and name HN  )  2.4  0.9  0.9
assign (resid 9 and (name HB1 or name HB2 )) (resid 10 and name HN ) 2.9 2.9 1.0
assign (resid 9 and (name HB2 or name HB1 )) (resid 10 and name HD21 ) 3.8 3.8 1.3
assign (resid 9 and (name HB2 or name HB1 )) (resid 10 and name HD22 ) 3.7 3.7 1.3
assign (resid 9 and name HG# ) (resid 10 and name HN ) 3.3 3.3 1.2
assign (resid   9 and name HN  ) (resid  10 and name HN  )  3.8  1.3  1.3 !added 1A
assign (resid 9 and name HN ) (resid 12 and (name HG2 or name HG1 )) 4.0 4.0 1.4
assign (resid 10 and name HA ) (resid 10 and name HN ) 2.5 2.5 0.9
assign (resid 10 and (name HB2 or name HB1 )) (resid 10 and name HD21 ) 3.1 3.1 1.1
assign (resid 10 and (name HB2 or name HB1 )) (resid 10 and name HD22 ) 2.8 2.8 1.0
assign (resid 10 and (name HB2 or name HB1 )) (resid 10 and name HN ) 3.1 3.1 1.1
assign (resid 10 and name HD21 ) (resid 10 and name HD22 ) 2.2 2.2 0.8
assign (resid  10 and name HA  ) (resid  11 and name HN  )  2.8  1.0  1.0
assign (resid 10 and (name HB1 or name HB2 )) (resid 11 and name HN ) 3.1 3.1 1.1
assign (resid 10 and name HN ) (resid 11 and (name HB2 or name HB1 )) 4.1 4.1 1.4
assign (resid  10 and name HN  ) (resid  11 and name HN  )  2.7  1.0  1.0
assign (resid 11 and name HA ) (resid 11 and name HN ) 2.7 2.7 0.9
assign (resid 11 and (name HB2 or name HB1 )) (resid 11 and name HN ) 2.5 2.5 0.9
assign (resid 11 and (name HD1 or name HD2 )) (resid 11 and name HN ) 3.5 3.5 1.2
assign (resid 11 and name HN ) (resid 12 and (name HD1 or name HD2 )) 3.8 3.8 1.3
assign (resid 11 and name HN ) (resid 12 and (name HD2 or name HD1 )) 3.8 3.8 1.3
assign (resid 11 and name HN ) (resid 12 and (name HG2 or name HG1 )) 4.2 4.2 1.5
assign (resid 11 and (name HB1 or name HB2 )) (resid 47 and name HN ) 3.2 3.2 1.1
assign (resid  12 and name HA  ) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid 12 and (name HB1 or name HB2 )) (resid 13 and name HN ) 3.3 3.3 1.1
assign (resid 12 and (name HB2 or name HB1 )) (resid 13 and name HN ) 3.3 3.3 1.2
assign (resid 12 and (name HB2 or name HB1 )) (resid 44 and name HD21 ) 3.2 3.2 1.1
assign (resid 12 and (name HB2 or name HB1 )) (resid 44 and name HD22 ) 3.1 3.1 1.1
assign (resid 12 and (name HD2 or name HD1 )) (resid 44 and name HD22 ) 3.4 3.4 1.2
assign (resid  12 and name HA  ) (resid  47 and name HN  )  4.4  1.5  1.5
assign (resid 12 and (name HB1 or name HB2 )) (resid 47 and name HN ) 2.8 2.8 1.0
assign (resid 12 and (name HG1 or name HG2 )) (resid 47 and name HN ) 2.7 2.7 0.9
assign (resid 13 and name HA ) (resid 13 and name HN ) 2.7 2.7 1.0
assign (resid 13 and name HB ) (resid 13 and name HN ) 2.7 2.7 1.0
assign (resid 13 and (name HG2# or name HG1# )) (resid 13 and name HN ) 2.5 2.5 0.9
assign (resid  13 and name HA  ) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  13 and name HB  ) (resid  14 and name HN  )  3.1  1.1  1.1
assign (resid 13 and (name HG1# or name HG2# )) (resid 14 and name HN ) 2.8 2.8 1.0
assign (resid  13 and name HN  ) (resid  14 and name HN  )  3.7  1.3  1.3 !added 1A
assign (resid  13 and name HB  ) (resid  16 and name HN  )  3.9  1.4  1.4
assign (resid  13 and name HN  ) (resid  16 and name HN  )  2.7  1.0  1.0
assign (resid 13 and (name HG1# or name HG2# )) (resid 17 and name HN ) 4.7 4.7 1.6
assign (resid 13 and name HN ) (resid 45 and (name HB2 or name HB1 )) 3.7 3.7 1.3
assign (resid 14 and name HA ) (resid 14 and name HN ) 2.8 2.8 1.0
assign (resid 14 and name HB# ) (resid 15 and name HN ) 3.0 3.0 1.0
assign (resid 14 and name HN ) (resid 15 and (name HG1 or name HG2 )) 3.8 3.8 1.3
assign (resid  14 and name HN  ) (resid  15 and name HN  )  2.8  1.0  1.0
assign (resid 14 and name HB# ) (resid 17 and name HN ) 4.0 4.0 1.4
assign (resid  14 and name HN  ) (resid  45 and name HG  )  4.3  1.5  1.5
assign (resid 15 and name HA ) (resid 15 and name HN ) 2.9 2.9 1.0
assign (resid 15 and (name HB2 or name HB1 )) (resid 15 and name HN ) 2.6 2.6 0.9
assign (resid 15 and (name HE2 or name HE1 )) (resid 15 and name HN ) 4.1 4.1 1.4
assign (resid 15 and (name HG1 or name HG2 )) (resid 15 and name HN ) 2.8 2.8 1.0
assign (resid 15 and (name HG2 or name HG1 )) (resid 15 and name HN ) 3.1 3.1 1.1
assign (resid  15 and name HA  ) (resid  16 and name HN  )  3.1  1.1  1.1
assign (resid 15 and (name HB2 or name HB1 )) (resid 16 and name HN ) 3.1 3.1 1.1
assign (resid 15 and (name HG1 or name HG2 )) (resid 16 and name HN ) 4.0 4.0 1.4
assign (resid  15 and name HA  ) (resid  17 and name HE22  )  4.5  1.6  1.6
assign (resid  15 and name HA  ) (resid  17 and name HN  )  3.2  1.1  1.1
assign (resid 15 and name HN ) (resid 17 and (name HG2 or name HG1 )) 4.3 4.3 1.5
assign (resid  15 and name HN  ) (resid  17 and name HN  )  3.3  1.2  1.2
assign (resid  15 and name HA  ) (resid  18 and name HN  )  3.3  1.1  1.1
assign (resid 15 and (name HB1 or name HB2 )) (resid 21 and name HE22 ) 4.0 4.0 1.4
assign (resid 15 and (name HD1 or name HD2 )) (resid 21 and name HE21 ) 4.4 4.4 1.5
assign (resid 16 and name HA ) (resid 16 and name HN ) 3.1 3.1 1.1
assign (resid 16 and (name HB1 or name HB2 )) (resid 16 and name HN ) 2.6 2.6 0.9
assign (resid 16 and (name HB2 or name HB1 )) (resid 16 and name HN ) 2.9 2.9 1.0
assign (resid  16 and name HA  ) (resid  17 and name HN  )  3.6  1.3  1.3
assign (resid 16 and (name HB1 or name HB2 )) (resid 17 and name HN ) 3.2 3.2 1.1
assign (resid 16 and (name HB2 or name HB1 )) (resid 17 and name HN ) 3.4 3.4 1.2
assign (resid 16 and name HN ) (resid 17 and (name HG2 or name HG1 )) 3.7 3.7 1.3
assign (resid  16 and name HN  ) (resid  17 and name HN  )  2.7  0.9  0.9
assign (resid  16 and name HA  ) (resid  22 and name HN  )  3.8  1.3  1.3
assign (resid 16 and (name HB1 or name HB2 )) (resid 22 and name HN ) 4.0 4.0 1.4
assign (resid 16 and name HN ) (resid 45 and (name HD1# or name HD2# )) 4.1 4.1 1.4
assign (resid 17 and name HA ) (resid 17 and name HN ) 2.8 2.8 1.0
assign (resid 17 and (name HB2 or name HB1 )) (resid 17 and name HN ) 2.6 2.6 0.9
assign (resid 17 and name HE21 ) (resid 17 and name HE22 ) 2.2 2.2 0.8
assign (resid 17 and name HE21 ) (resid 17 and (name HG1 or name HG2 )) 3.9 3.9 1.4
assign (resid 17 and name HE22 ) (resid 17 and (name HG1 or name HG2 )) 3.6 3.6 1.2
assign (resid 17 and (name HG2 or name HG1 )) (resid 17 and name HN ) 2.7 2.7 1.0
assign (resid  17 and name HA  ) (resid  18 and name HN  )  3.1  1.1  1.1
assign (resid 17 and (name HG1 or name HG2 )) (resid 18 and name HN ) 3.3 3.3 1.2
assign (resid 17 and (name HG2 or name HG1 )) (resid 18 and name HN ) 3.3 3.3 1.2
assign (resid  17 and name HN  ) (resid  18 and name HG  )  3.7  1.3  1.3
assign (resid 18 and name HA ) (resid 18 and name HN ) 2.9 2.9 1.0
assign (resid 18 and (name HB2 or name HB1 )) (resid 18 and name HN ) 2.8 2.8 1.0
assign (resid 18 and (name HD1# or name HD2# )) (resid 18 and name HN ) 3.2 3.2 1.1
assign (resid  18 and name HA  ) (resid  19 and name HN  )  2.5  0.9  0.9
assign (resid 18 and (name HB1 or name HB2 )) (resid 19 and name HN ) 3.4 3.4 1.2
assign (resid 18 and (name HB2 or name HB1 )) (resid 19 and name HN ) 2.9 2.9 1.0
assign (resid 18 and (name HD2# or name HD1# )) (resid 19 and name HN ) 3.2 3.2 1.1
assign (resid  18 and name HN  ) (resid  19 and name HN  )  3.5  1.2  1.2
assign (resid 18 and (name HB1 or name HB2 )) (resid 20 and name HN ) 4.1 4.1 1.4
assign (resid 18 and (name HB2 or name HB1 )) (resid 20 and name HN ) 4.0 4.0 1.4
assign (resid 18 and (name HB2 or name HB1 )) (resid 21 and name HN ) 3.4 3.4 1.2
assign (resid 18 and name HN ) (resid 21 and (name HB2 or name HB1 )) 2.6 2.6 0.9
assign (resid 19 and name HA ) (resid 19 and name HN ) 2.7 2.7 1.0
assign (resid 19 and name HB# ) (resid 19 and name HN ) 2.5 2.5 0.9
assign (resid  19 and name HA  ) (resid  20 and name HN  )  2.4  0.9  0.9
assign (resid 19 and name HB# ) (resid 20 and name HD21 ) 3.6 3.6 1.3
assign (resid 19 and name HB# ) (resid 20 and name HD22 ) 3.4 3.4 1.2
assign (resid 19 and name HB# ) (resid 20 and name HN ) 2.8 2.8 1.0
assign (resid  19 and name HN  ) (resid  20 and name HN  )  3.0  1.1  1.1
assign (resid  19 and name HA  ) (resid  23 and name HN  )  3.9  1.3  1.3
assign (resid 20 and name HA ) (resid 20 and name HD21 ) 4.0 4.0 1.4
assign (resid 20 and name HA ) (resid 20 and name HN ) 2.6 2.6 0.9
assign (resid 20 and (name HB1 or name HB2 )) (resid 20 and name HD21 ) 3.5 3.5 1.2
assign (resid 20 and (name HB1 or name HB2 )) (resid 20 and name HN ) 3.2 3.2 1.1
assign (resid 20 and (name HB2 or name HB1 )) (resid 20 and name HD21 ) 3.3 3.3 1.1
assign (resid 20 and (name HB2 or name HB1 )) (resid 20 and name HD22 ) 2.9 2.9 1.0
assign (resid 20 and (name HB2 or name HB1 )) (resid 20 and name HN ) 3.0 3.0 1.1
assign (resid 20 and name HD21 ) (resid 20 and name HD22 ) 2.2 2.2 0.8
assign (resid  20 and name HA  ) (resid  21 and name HN  )  3.1  1.1  1.1
assign (resid 20 and (name HB1 or name HB2 )) (resid 21 and name HN ) 3.5 3.5 1.2
assign (resid 20 and (name HB2 or name HB1 )) (resid 21 and name HN ) 3.3 3.3 1.2
assign (resid  20 and name HN  ) (resid  21 and name HN  )  2.8  1.0  1.0
assign (resid  20 and name HA  ) (resid  22 and name HN  )  3.8  1.3  1.3
assign (resid 20 and name HN ) (resid 22 and (name HB2 or name HB1 )) 4.5 4.5 1.6
assign (resid  20 and name HN  ) (resid  22 and name HN  )  3.6  1.3  1.3
assign (resid  20 and name HA  ) (resid  23 and name HD21  )  4.5  1.6  1.6
assign (resid  20 and name HA  ) (resid  23 and name HD22  )  4.1  1.4  1.4
assign (resid  20 and name HA  ) (resid  23 and name HN  )  3.3  1.2  1.2
assign (resid 21 and name HA ) (resid 21 and name HE21 ) 3.8 3.8 1.3
assign (resid 21 and name HA ) (resid 21 and name HE22 ) 3.4 3.4 1.2
assign (resid 21 and name HA ) (resid 21 and name HN ) 2.8 2.8 1.0
assign (resid 21 and (name HB1 or name HB2 )) (resid 21 and name HE21 ) 4.3 4.3 1.5
assign (resid 21 and (name HB1 or name HB2 )) (resid 21 and name HE22 ) 3.6 3.6 1.3
assign (resid 21 and (name HB1 or name HB2 )) (resid 21 and name HN ) 2.7 2.7 0.9
assign (resid 21 and (name HB2 or name HB1 )) (resid 21 and name HE22 ) 3.8 3.8 1.3
assign (resid 21 and (name HB2 or name HB1 )) (resid 21 and name HN ) 2.6 2.6 0.9
assign (resid 21 and name HE21 ) (resid 21 and name HE22 ) 2.3 2.3 0.8
assign (resid 21 and name HE21 ) (resid 21 and (name HG1 or name HG2 )) 2.9 2.9 1.0
assign (resid 21 and name HE21 ) (resid 21 and (name HG2 or name HG1 )) 3.4 3.4 1.2
assign (resid 21 and name HE22 ) (resid 21 and (name HG1 or name HG2 )) 2.6 2.6 0.9
assign (resid 21 and name HE22 ) (resid 21 and (name HG2 or name HG1 )) 3.0 3.0 1.0
assign (resid 21 and (name HG1 or name HG2 )) (resid 21 and name HN ) 3.3 3.3 1.2
assign (resid 21 and (name HG2 or name HG1 )) (resid 21 and name HN ) 3.0 3.0 1.1
assign (resid  21 and name HA  ) (resid  22 and name HN  )  3.3  1.1  1.1
assign (resid 21 and (name HB2 or name HB1 )) (resid 22 and name HN ) 3.1 3.1 1.1
assign (resid 21 and (name HG2 or name HG1 )) (resid 22 and name HN ) 3.6 3.6 1.3
assign (resid  21 and name HN  ) (resid  22 and name HN  )  2.8  1.0  1.0
assign (resid 21 and name HN ) (resid 24 and (name HB1 or name HB2 )) 4.1 4.1 1.5
assign (resid  21 and name HA  ) (resid  25 and name HN  )  3.1  1.1  1.1
assign (resid 22 and name HA ) (resid 22 and name HN ) 2.8 2.8 1.0
assign (resid 22 and (name HB1 or name HB2 )) (resid 22 and name HN ) 2.7 2.7 0.9
assign (resid 22 and (name HB2 or name HB1 )) (resid 22 and name HN ) 2.6 2.6 0.9
assign (resid  22 and name HA  ) (resid  23 and name HN  )  3.1  1.1  1.1
assign (resid 22 and (name HB1 or name HB2 )) (resid 23 and name HN ) 2.6 2.6 0.9
assign (resid 22 and (name HB2 or name HB1 )) (resid 23 and name HN ) 2.8 2.8 1.0
assign (resid  22 and name HN  ) (resid  23 and name HN  )  2.8  1.0  1.0
assign (resid  22 and name HA  ) (resid  25 and name HN  )  3.2  1.1  1.1
assign (resid  22 and name HN  ) (resid  25 and name HN  )  3.2  1.1  1.1
assign (resid  22 and name HA  ) (resid  26 and name HN  )  3.3  1.2  1.2
assign (resid 22 and (name HB1 or name HB2 )) (resid 36 and name HN ) 4.0 4.0 1.4
assign (resid 22 and (name HB1 or name HB2 )) (resid 37 and name HN ) 4.0 4.0 1.4
assign (resid 22 and (name HB2 or name HB1 )) (resid 37 and name HN ) 3.0 3.0 1.0
assign (resid 23 and name HA ) (resid 23 and name HN ) 2.8 2.8 1.0
assign (resid 23 and (name HB1 or name HB2 )) (resid 23 and name HD21 ) 3.2 3.2 1.1
assign (resid 23 and (name HB1 or name HB2 )) (resid 23 and name HN ) 2.6 2.6 0.9
assign (resid 23 and (name HB2 or name HB1 )) (resid 23 and name HD21 ) 3.1 3.1 1.1
assign (resid 23 and (name HB2 or name HB1 )) (resid 23 and name HD22 ) 2.8 2.8 1.0
assign (resid 23 and name HD21 ) (resid 23 and name HD22 ) 2.3 2.3 0.8
assign (resid 23 and name HD21 ) (resid 23 and name HN ) 3.9 3.9 1.4
assign (resid 23 and name HD22 ) (resid 23 and name HN ) 3.6 3.6 1.2
assign (resid 23 and (name HB2 or name HB1 )) (resid 24 and name HN ) 2.6 2.6 0.9
assign (resid  23 and name HD21  ) (resid  24 and name HA  )  4.0  1.4  1.4
assign (resid  23 and name HD21  ) (resid  24 and name HN  )  3.8  1.3  1.3
assign (resid  23 and name HD22  ) (resid  24 and name HA  )  3.9  1.4  1.4
assign (resid 23 and name HD22 ) (resid 24 and (name HB2 or name HB1 )) 3.0 3.0 1.1
assign (resid  23 and name HD22  ) (resid  24 and name HN  )  3.3  1.2  1.2
assign (resid 23 and name HN ) (resid 24 and (name HB1 or name HB2 )) 3.6 3.6 1.3
assign (resid  23 and name HN  ) (resid  24 and name HN  )  2.7  0.9  0.9
assign (resid  23 and name HN  ) (resid  25 and name HN  )  3.6  1.2  1.2
assign (resid  23 and name HA  ) (resid  26 and name HN  )  3.4  1.2  1.2
assign (resid 23 and name HD21 ) (resid 27 and (name HD1 or name HD2 )) 3.6 3.6 1.2
assign (resid 23 and name HD22 ) (resid 27 and (name HD1 or name HD2 )) 3.7 3.7 1.3
assign (resid  23 and name HA  ) (resid  35 and name HN  )  2.6  0.9  0.9
assign (resid 23 and (name HB1 or name HB2 )) (resid 35 and name HN ) 3.1 3.1 1.1
assign (resid 23 and (name HB2 or name HB1 )) (resid 35 and name HN ) 3.7 3.7 1.3
assign (resid  23 and name HD21  ) (resid  35 and name HN  )  4.3  1.5  1.5
assign (resid  23 and name HA  ) (resid  36 and name HN  )  4.0  1.4  1.4
assign (resid 24 and name HA ) (resid 24 and name HN ) 2.7 2.7 1.0
assign (resid 24 and (name HB2 or name HB1 )) (resid 24 and name HN ) 2.5 2.5 0.9
assign (resid 24 and (name HD1 or name HD2 )) (resid 24 and name HN ) 3.4 3.4 1.2
assign (resid 24 and (name HD1 or name HD2 )) (resid 25 and name HN ) 3.2 3.2 1.1
assign (resid  24 and name HN  ) (resid  25 and name HN  )  2.8  1.0  1.0
assign (resid 24 and name HN ) (resid 27 and (name HD1 or name HD2 )) 4.5 4.5 1.6
assign (resid 24 and name HN ) (resid 27 and (name HD2 or name HD1 )) 4.1 4.1 1.5
assign (resid 25 and name HA ) (resid 25 and name HN ) 3.0 3.0 1.0
assign (resid 25 and (name HB1 or name HB2 )) (resid 25 and name HN ) 2.6 2.6 0.9
assign (resid 25 and (name HB2 or name HB1 )) (resid 25 and name HN ) 2.6 2.6 0.9
assign (resid  25 and name HA  ) (resid  26 and name HN  )  3.5  1.2  1.2
assign (resid 25 and (name HB1 or name HB2 )) (resid 26 and name HN ) 3.1 3.1 1.1
assign (resid  25 and name HN  ) (resid  26 and name HN  )  2.6  0.9  0.9
assign (resid  25 and name HN  ) (resid  27 and name HN  )  3.6  1.3  1.3
assign (resid  25 and name HA  ) (resid  28 and name HN  )  3.2  1.1  1.1
assign (resid 26 and name HA ) (resid 26 and name HN ) 2.8 2.8 1.0
assign (resid 26 and (name HB1 or name HB2 )) (resid 26 and name HN ) 2.5 2.5 0.9
assign (resid 26 and (name HB2 or name HB1 )) (resid 26 and name HN ) 2.9 2.9 1.0
assign (resid 26 and (name HB1 or name HB2 )) (resid 27 and name HN ) 2.8 2.8 1.0
assign (resid 26 and (name HB2 or name HB1 )) (resid 27 and name HN ) 2.8 2.8 1.0
assign (resid 26 and name HN ) (resid 27 and (name HG1 or name HG2 )) 3.9 3.9 1.4
assign (resid  26 and name HN  ) (resid  27 and name HN  )  2.8  1.0  1.0
assign (resid  26 and name HA  ) (resid  29 and name HN  )  3.1  1.1  1.1
assign (resid  26 and name HN  ) (resid  29 and name HN  )  3.2  1.1  1.1
assign (resid  26 and name HA  ) (resid  30 and name HN  )  3.1  1.1  1.1
assign (resid 26 and (name HB1 or name HB2 )) (resid 33 and name HN ) 4.4 4.4 1.5
assign (resid 26 and (name HB1 or name HB2 )) (resid 50 and name HN ) 3.9 3.9 1.4
assign (resid 27 and name HB# ) (resid 27 and name HN ) 2.5 2.5 0.9
assign (resid 27 and (name HG1 or name HG2 )) (resid 27 and name HN ) 2.6 2.6 0.9
assign (resid 27 and (name HG2 or name HG1 )) (resid 27 and name HN ) 3.0 3.0 1.0
assign (resid 27 and (name HG2 or name HG1 )) (resid 28 and name HN ) 4.2 4.2 1.5
assign (resid  27 and name HN  ) (resid  28 and name HN  )  2.7  0.9  0.9
assign (resid  27 and name HN  ) (resid  29 and name HN  )  3.8  1.3  1.3
assign (resid  27 and name HA  ) (resid  31 and name HN  )  3.1  1.1  1.1
assign (resid  27 and name HA  ) (resid  32 and name HN  )  2.5  0.9  0.9
assign (resid 27 and (name HG2 or name HG1 )) (resid 34 and name HN ) 3.9 3.9 1.4
assign (resid 27 and (name HD2 or name HD1 )) (resid 35 and name HN ) 4.1 4.1 1.4
assign (resid 28 and name HA ) (resid 28 and name HN ) 2.7 2.7 0.9
assign (resid 28 and (name HB1 or name HB2 )) (resid 28 and name HN ) 2.5 2.5 0.9
assign (resid 28 and (name HB2 or name HB1 )) (resid 28 and name HN ) 2.5 2.5 0.9
assign (resid 28 and (name HD1# or name HD2# )) (resid 28 and name HN ) 3.2 3.2 1.1
assign (resid 28 and (name HB1 or name HB2 )) (resid 29 and name HN ) 2.7 2.7 1.0
assign (resid 28 and (name HB2 or name HB1 )) (resid 29 and name HN ) 2.9 2.9 1.0
assign (resid  28 and name HN  ) (resid  29 and name HN  )  2.7  0.9  0.9
assign (resid 28 and (name HB1 or name HB2 )) (resid 30 and name HN ) 4.1 4.1 1.4
assign (resid 28 and (name HB2 or name HB1 )) (resid 30 and name HN ) 4.1 4.1 1.4
assign (resid  28 and name HN  ) (resid  30 and name HN  )  3.8  1.3  1.3
assign (resid 29 and name HA ) (resid 29 and name HN ) 2.9 2.9 1.0
assign (resid 29 and (name HB1 or name HB2 )) (resid 29 and name HN ) 2.7 2.7 0.9
assign (resid 29 and (name HB2 or name HB1 )) (resid 29 and name HN ) 3.0 3.0 1.0
assign (resid 29 and (name HB1 or name HB2 )) (resid 30 and name HN ) 2.9 2.9 1.0
assign (resid 29 and (name HB2 or name HB1 )) (resid 30 and name HN ) 3.2 3.2 1.1
assign (resid 29 and name HN ) (resid 30 and (name HB2 or name HB1 )) 3.8 3.8 1.3
assign (resid  29 and name HN  ) (resid  30 and name HN  )  2.6  0.9  0.9
assign (resid  29 and name HN  ) (resid  31 and name HN  )  3.4  1.2  1.2
assign (resid 30 and name HA ) (resid 30 and name HN ) 2.9 2.9 1.0
assign (resid 30 and (name HB2 or name HB1 )) (resid 30 and name HN ) 2.8 2.8 1.0
assign (resid 30 and (name HG1 or name HG2 )) (resid 30 and name HN ) 3.1 3.1 1.1
assign (resid 30 and (name HG2 or name HG1 )) (resid 30 and name HN ) 2.9 2.9 1.0
assign (resid 30 and (name HB1 or name HB2 )) (resid 31 and name HN ) 3.2 3.2 1.1
assign (resid 30 and (name HG2 or name HG1 )) (resid 31 and name HN ) 3.9 3.9 1.4
assign (resid  30 and name HN  ) (resid  31 and name HN  )  2.6  0.9  0.9
assign (resid 30 and name HN ) (resid 32 and name HB# ) 4.5 4.5 1.6
assign (resid  30 and name HN  ) (resid  32 and name HN  )  3.3  1.1  1.1
assign (resid 31 and name HA ) (resid 31 and name HN ) 2.6 2.6 0.9
assign (resid 31 and name HB# ) (resid 31 and name HN ) 3.0 3.0 1.1
assign (resid 31 and name HD2 ) (resid 31 and name HN ) 2.8 2.8 1.0
assign (resid  31 and name HA  ) (resid  32 and name HN  )  2.9  1.0  1.0
assign (resid 31 and name HB# ) (resid 32 and name HN ) 3.5 3.5 1.2
assign (resid 31 and name HN ) (resid 32 and name HB# ) 4.0 4.0 1.4
assign (resid  31 and name HN  ) (resid  32 and name HN  )  2.8  1.0  1.0
assign (resid 32 and name HB# ) (resid 32 and name HN ) 2.6 2.6 0.9
assign (resid  32 and name HA  ) (resid  33 and name HN  )  2.6  0.9  0.9
assign (resid 32 and name HB# ) (resid 33 and name HN ) 2.7 2.7 0.9
assign (resid  32 and name HN  ) (resid  33 and name HN  )  3.6  1.3  1.3
assign (resid 32 and name HB# ) (resid 34 and name HN ) 2.8 2.8 1.0
assign (resid 32 and name HN ) (resid 49 and (name HB1 or name HB2 )) 4.0 4.0 1.4
assign (resid 32 and name HB# ) (resid 50 and name HN ) 3.0 3.0 1.1
assign (resid 33 and (name HB1 or name HB2 )) (resid 33 and name HN ) 2.6 2.6 0.9
assign (resid  33 and name HA  ) (resid  34 and name HN  )  2.9  1.0  1.0
assign (resid 33 and (name HB1 or name HB2 )) (resid 34 and name HN ) 2.8 2.8 1.0
assign (resid 33 and (name HD1 or name HD2 )) (resid 34 and name HN ) 3.9 3.9 1.3
assign (resid  33 and name HN  ) (resid  34 and name HN  )  2.6  0.9  0.9
assign (resid  33 and name HN  ) (resid  35 and name HN  )  3.2  1.1  1.1
assign (resid 33 and name HN ) (resid 49 and (name HB1 or name HB2 )) 3.7 3.7 1.3
assign (resid 33 and name HN ) (resid 50 and (name HB2 or name HB1 )) 4.1 4.1 1.4
assign (resid  33 and name HN  ) (resid  50 and name HN  )  3.5  1.2  1.2
assign (resid 33 and name HN ) (resid 51 and (name HB1 or name HB2 )) 4.4 4.4 1.5
assign (resid 33 and name HN ) (resid 51 and (name HD1 or name HD2 )) 4.0 4.0 1.4
assign (resid  33 and name HN  ) (resid  51 and name HN  )  4.0  1.4  1.4
assign (resid 33 and (name HB1 or name HB2 )) (resid 52 and name HN ) 3.6 3.6 1.3
assign (resid 33 and (name HD1 or name HD2 )) (resid 52 and name HN ) 4.3 4.3 1.5
assign (resid 34 and name HA ) (resid 34 and name HN ) 3.1 3.1 1.1
assign (resid 34 and (name HB2 or name HB1 )) (resid 34 and name HN ) 3.4 3.4 1.2
assign (resid  34 and name HA  ) (resid  35 and name HN  )  2.8  1.0  1.0
assign (resid 34 and (name HB1 or name HB2 )) (resid 35 and name HN ) 2.9 2.9 1.0
assign (resid 34 and name HN ) (resid 35 and (name HA2 or name HA1 )) 4.0 4.0 1.4
assign (resid  34 and name HN  ) (resid  35 and name HN  )  3.4  1.2  1.2
assign (resid  34 and name HN  ) (resid  49 and name HA  )  4.2  1.5  1.5
assign (resid 34 and name HN ) (resid 50 and (name HB1 or name HB2 )) 3.1 3.1 1.1
assign (resid 34 and name HN ) (resid 50 and (name HB2 or name HB1 )) 3.4 3.4 1.2
assign (resid  34 and name HN  ) (resid  50 and name HN  )  2.9  1.0  1.0
assign (resid 35 and (name HA1 or name HA2 )) (resid 35 and name HN ) 2.5 2.5 0.9
assign (resid 35 and (name HA2 or name HA1 )) (resid 35 and name HN ) 3.0 3.0 1.0
assign (resid 35 and (name HA1 or name HA2 )) (resid 36 and name HN ) 2.7 2.7 1.0
assign (resid 35 and (name HA2 or name HA1 )) (resid 36 and name HN ) 2.6 2.6 0.9
assign (resid  35 and name HN  ) (resid  36 and name HN  )  3.0  1.1  1.1
assign (resid  35 and name HN  ) (resid  49 and name HA  )  4.2  1.5  1.5
assign (resid 35 and (name HA1 or name HA2 )) (resid 50 and name HN ) 3.4 3.4 1.2
assign (resid 35 and (name HA2 or name HA1 )) (resid 50 and name HN ) 3.2 3.2 1.1
assign (resid 35 and name HN ) (resid 50 and (name HB2 or name HB1 )) 4.1 4.1 1.4
assign (resid  35 and name HN  ) (resid  50 and name HN  )  2.9  1.0  1.0
assign (resid 36 and name HA ) (resid 36 and name HN ) 2.8 2.8 1.0
assign (resid 36 and (name HB1 or name HB2 )) (resid 36 and name HN ) 2.8 2.8 1.0
assign (resid 36 and (name HB2 or name HB1 )) (resid 36 and name HN ) 3.0 3.0 1.0
assign (resid  36 and name HA  ) (resid  37 and name HN  )  2.5  0.9  0.9
assign (resid 36 and (name HB1 or name HB2 )) (resid 37 and name HN ) 2.7 2.7 0.9
assign (resid 36 and (name HB2 or name HB1 )) (resid 37 and name HN ) 3.1 3.1 1.1
assign (resid  36 and name HN  ) (resid  37 and name HA  )  4.1  1.4  1.4
assign (resid  36 and name HN  ) (resid  37 and name HN  )  3.3  1.2  1.2
assign (resid 36 and name HN ) (resid 47 and (name HB1 or name HB2 )) 3.8 3.8 1.3
assign (resid 36 and (name HB2 or name HB1 )) (resid 48 and name HN ) 3.9 3.9 1.4
assign (resid 36 and name HN ) (resid 48 and (name HG2# or name HD1# )) 3.5 3.5 1.2
assign (resid  36 and name HN  ) (resid  48 and name HN  )  2.8  1.0  1.0
assign (resid  36 and name HN  ) (resid  49 and name HA  )  3.3  1.2  1.2
assign (resid 36 and name HN ) (resid 50 and (name HB2 or name HB1 )) 4.1 4.1 1.4
assign (resid  36 and name HN  ) (resid  50 and name HN  )  3.6  1.3  1.3
assign (resid 37 and name HA ) (resid 37 and name HN ) 3.0 3.0 1.1
assign (resid 37 and (name HB1 or name HB2 )) (resid 37 and name HN ) 2.7 2.7 1.0
assign (resid  37 and name HA  ) (resid  38 and name HN  )  2.5  0.9  0.9
assign (resid 37 and (name HB1 or name HB2 )) (resid 38 and name HN ) 3.4 3.4 1.2
assign (resid 37 and (name HB2 or name HB1 )) (resid 38 and name HN ) 2.9 2.9 1.0
assign (resid  37 and name HA  ) (resid  46 and name HN  )  3.8  1.3  1.3
assign (resid 37 and (name HB2 or name HB1 )) (resid 46 and name HN ) 3.6 3.6 1.3
assign (resid  37 and name HA  ) (resid  47 and name HN  )  4.2  1.5  1.5
assign (resid  37 and name HA  ) (resid  48 and name HN  )  3.0  1.0  1.0
assign (resid 38 and name HA ) (resid 38 and name HN ) 3.0 3.0 1.1
assign (resid 38 and (name HB1 or name HB2 )) (resid 38 and name HN ) 3.2 3.2 1.1
assign (resid 38 and (name HB2 or name HB1 )) (resid 38 and name HN ) 2.9 2.9 1.0
assign (resid 38 and (name HD1 or name HD2 )) (resid 38 and name HN ) 3.3 3.3 1.1
assign (resid  38 and name HA  ) (resid  39 and name HN  )  2.7  0.9  0.9
assign (resid 38 and (name HB1 or name HB2 )) (resid 39 and name HN ) 2.8 2.8 1.0
assign (resid  38 and name HN  ) (resid  45 and name HA  )  3.8  1.3  1.3
assign (resid 38 and name HN ) (resid 45 and (name HB1 or name HB2 )) 3.6 3.6 1.3
assign (resid 38 and name HN ) (resid 46 and (name HB2 or name HB1 )) 3.5 3.5 1.2
assign (resid  38 and name HN  ) (resid  46 and name HN  )  2.9  1.0  1.0
assign (resid 38 and (name HB2 or name HB1 )) (resid 48 and name HN ) 4.2 4.2 1.5
assign (resid  38 and name HN  ) (resid  48 and name HB  )  3.8  1.3  1.3
assign (resid 38 and name HN ) (resid 48 and (name HD1# or name HG2# )) 3.5 3.5 1.2
assign (resid  38 and name HN  ) (resid  48 and name HN  )  3.1  1.1  1.1
assign (resid 39 and name HA ) (resid 39 and name HN ) 2.9 2.9 1.0
assign (resid 39 and name HB# ) (resid 39 and name HN ) 2.6 2.6 0.9
assign (resid 39 and (name HD1 or name HD2 )) (resid 39 and name HN ) 2.9 2.9 1.0
assign (resid  39 and name HA  ) (resid  40 and name HN  )  2.6  0.9  0.9
assign (resid 39 and (name HD1 or name HD2 )) (resid 40 and name HN ) 3.7 3.7 1.3
assign (resid  39 and name HN  ) (resid  45 and name HA  )  4.2  1.5  1.5
assign (resid 39 and name HN ) (resid 45 and (name HD2# or name HD1# )) 3.7 3.7 1.3
assign (resid  39 and name HA  ) (resid  46 and name HN  )  3.2  1.1  1.1
assign (resid 40 and name HA ) (resid 40 and name HN ) 3.3 3.3 1.2
assign (resid 40 and (name HB1 or name HB2 )) (resid 40 and name HN ) 3.3 3.3 1.2
assign (resid 40 and (name HB2 or name HB1 )) (resid 40 and name HN ) 2.8 2.8 1.0
assign (resid  40 and name HA  ) (resid  41 and name HN  )  2.9  1.0  1.0
assign (resid 40 and (name HB1 or name HB2 )) (resid 41 and name HN ) 2.5 2.5 0.9
assign (resid 40 and (name HB2 or name HB1 )) (resid 41 and name HN ) 2.9 2.9 1.0
assign (resid  40 and name HN  ) (resid  41 and name HN  )  3.3  1.2  1.2
assign (resid  40 and name HA  ) (resid  42 and name HN  )  4.4  1.5  1.5
assign (resid 40 and (name HB1 or name HB2 )) (resid 42 and name HN ) 3.4 3.4 1.2
assign (resid 40 and (name HB2 or name HB1 )) (resid 42 and name HN ) 3.8 3.8 1.3
assign (resid  40 and name HN  ) (resid  42 and name HN  )  3.3  1.2  1.2
assign (resid  40 and name HN  ) (resid  43 and name HA  )  3.6  1.3  1.3
assign (resid  40 and name HN  ) (resid  43 and name HN  )  2.8  1.0  1.0
assign (resid 40 and (name HB1 or name HB2 )) (resid 44 and name HN ) 4.4 4.4 1.5
assign (resid  40 and name HN  ) (resid  44 and name HA  )  4.5  1.6  1.6
assign (resid  40 and name HN  ) (resid  44 and name HN  )  2.8  1.0  1.0
assign (resid  40 and name HN  ) (resid  45 and name HA  )  3.5  1.2  1.2
assign (resid 40 and (name HB2 or name HB1 )) (resid 46 and name HE21 ) 4.1 4.1 1.4
assign (resid 40 and (name HB2 or name HB1 )) (resid 46 and name HE22 ) 3.8 3.8 1.3
assign (resid 40 and (name HB2 or name HB1 )) (resid 46 and name HN ) 3.9 3.9 1.3
assign (resid 40 and name HN ) (resid 46 and name HG# ) 3.7 3.7 1.3
assign (resid  40 and name HN  ) (resid  46 and name HN  )  2.8  1.0  1.0
assign (resid 41 and name HA ) (resid 41 and name HN ) 2.8 2.8 1.0
assign (resid 41 and name HB# ) (resid 41 and name HN ) 2.6 2.6 0.9
assign (resid 41 and name HG# ) (resid 41 and name HN ) 2.9 2.9 1.0
assign (resid  41 and name HA  ) (resid  42 and name HN  )  3.2  1.1  1.1
assign (resid 41 and name HG# ) (resid 42 and name HN ) 3.3 3.3 1.2
assign (resid 41 and name HN ) (resid 42 and (name HB2 or name HB1 )) 4.1 4.1 1.4
assign (resid 41 and name HN ) (resid 42 and (name HG1 or name HG2 )) 4.1 4.1 1.4
assign (resid  41 and name HN  ) (resid  42 and name HN  )  2.8  1.0  1.0
assign (resid  41 and name HA  ) (resid  43 and name HN  )  3.3  1.2  1.2
assign (resid  41 and name HN  ) (resid  43 and name HN  )  3.4  1.2  1.2
assign (resid 42 and name HA ) (resid 42 and name HN ) 2.8 2.8 1.0
assign (resid 42 and (name HB1 or name HB2 )) (resid 42 and name HN ) 2.9 2.9 1.0
assign (resid 42 and (name HB2 or name HB1 )) (resid 42 and name HN ) 2.7 2.7 0.9
assign (resid 42 and (name HD2 or name HD1 )) (resid 42 and name HN ) 4.0 4.0 1.4
assign (resid 42 and (name HG1 or name HG2 )) (resid 42 and name HN ) 2.9 2.9 1.0
assign (resid  42 and name HA  ) (resid  43 and name HN  )  3.0  1.1  1.1
assign (resid 42 and (name HB2 or name HB1 )) (resid 43 and name HN ) 3.4 3.4 1.2
assign (resid 42 and (name HG1 or name HG2 )) (resid 43 and name HN ) 3.0 3.0 1.0
assign (resid  42 and name HN  ) (resid  43 and name HA  )  3.6  1.3  1.3
assign (resid  42 and name HN  ) (resid  43 and name HN  )  2.5  0.9  0.9
assign (resid  42 and name HA  ) (resid  44 and name HN  )  4.2  1.5  1.5
assign (resid 42 and (name HB2 or name HB1 )) (resid 44 and name HN ) 3.3 3.3 1.2
assign (resid 42 and name HN ) (resid 44 and (name HB1 or name HB2 )) 4.0 4.0 1.4
assign (resid  42 and name HN  ) (resid  44 and name HN  )  3.0  1.0  1.0
assign (resid 43 and name HA ) (resid 43 and name HN ) 2.5 2.5 0.9
assign (resid 43 and name HB# ) (resid 43 and name HN ) 2.9 2.9 1.0
assign (resid 43 and name HE ) (resid 43 and name HN ) 3.8 3.8 1.3
assign (resid  43 and name HA  ) (resid  44 and name HN  )  2.9  1.0  1.0
assign (resid 43 and name HB# ) (resid 44 and name HN ) 3.2 3.2 1.1
assign (resid  43 and name HE  ) (resid  44 and name HN  )  3.5  1.2  1.2
assign (resid 43 and (name HG1 or name HG2 )) (resid 44 and name HN ) 4.0 4.0 1.4
assign (resid  43 and name HN  ) (resid  44 and name HN  )  2.7  1.0  1.0
assign (resid 44 and name HA ) (resid 44 and name HN ) 2.9 2.9 1.0
assign (resid 44 and (name HB1 or name HB2 )) (resid 44 and name HD21 ) 3.0 3.0 1.1
assign (resid 44 and (name HB1 or name HB2 )) (resid 44 and name HD22 ) 2.7 2.7 1.0
assign (resid 44 and (name HB1 or name HB2 )) (resid 44 and name HN ) 2.7 2.7 0.9
assign (resid 44 and (name HB2 or name HB1 )) (resid 44 and name HD21 ) 3.6 3.6 1.3
assign (resid 44 and (name HB2 or name HB1 )) (resid 44 and name HD22 ) 3.2 3.2 1.1
assign (resid 44 and (name HB2 or name HB1 )) (resid 44 and name HN ) 3.1 3.1 1.1
assign (resid 44 and name HD21 ) (resid 44 and name HD22 ) 2.2 2.2 0.8
assign (resid  44 and name HA  ) (resid  45 and name HN  )  2.5  0.9  0.9
assign (resid 44 and (name HB1 or name HB2 )) (resid 45 and name HN ) 3.3 3.3 1.2
assign (resid  44 and name HD21  ) (resid  45 and name HN  )  3.7  1.3  1.3
assign (resid  44 and name HD22  ) (resid  45 and name HN  )  3.2  1.1  1.1
assign (resid  44 and name HN  ) (resid  45 and name HA  )  4.3  1.5  1.5
assign (resid  44 and name HN  ) (resid  45 and name HN  )  3.8  1.3  1.3 !added 1A
assign (resid 44 and (name HB1 or name HB2 )) (resid 46 and name HE21 ) 4.0 4.0 1.4
assign (resid 44 and (name HB1 or name HB2 )) (resid 46 and name HE22 ) 3.5 3.5 1.2
assign (resid 45 and name HA ) (resid 45 and name HN ) 2.9 2.9 1.0
assign (resid 45 and (name HB1 or name HB2 )) (resid 45 and name HN ) 2.7 2.7 0.9
assign (resid 45 and (name HD1# or name HD2# )) (resid 45 and name HN ) 3.5 3.5 1.2
assign (resid 45 and (name HD2# or name HD1# )) (resid 45 and name HN ) 3.6 3.6 1.2
assign (resid 45 and name HG ) (resid 45 and name HN ) 2.6 2.6 0.9
assign (resid  45 and name HA  ) (resid  46 and name HN  )  2.5  0.9  0.9
assign (resid 45 and (name HB1 or name HB2 )) (resid 46 and name HN ) 3.3 3.3 1.1
assign (resid 45 and (name HB2 or name HB1 )) (resid 46 and name HN ) 3.1 3.1 1.1
assign (resid 46 and name HA ) (resid 46 and name HN ) 3.0 3.0 1.1
assign (resid 46 and (name HB1 or name HB2 )) (resid 46 and name HE21 ) 4.3 4.3 1.5
assign (resid 46 and (name HB1 or name HB2 )) (resid 46 and name HE22 ) 3.9 3.9 1.4
assign (resid 46 and (name HB1 or name HB2 )) (resid 46 and name HN ) 3.1 3.1 1.1
assign (resid 46 and (name HB2 or name HB1 )) (resid 46 and name HE21 ) 4.4 4.4 1.5
assign (resid 46 and (name HB2 or name HB1 )) (resid 46 and name HE22 ) 4.0 4.0 1.4
assign (resid 46 and (name HB2 or name HB1 )) (resid 46 and name HN ) 2.8 2.8 1.0
assign (resid 46 and name HE21 ) (resid 46 and name HE22 ) 2.2 2.2 0.8
assign (resid 46 and name HE21 ) (resid 46 and name HG# ) 3.1 3.1 1.1
assign (resid 46 and name HE22 ) (resid 46 and name HG# ) 2.8 2.8 1.0
assign (resid 46 and name HG# ) (resid 46 and name HN ) 2.9 2.9 1.0
assign (resid  46 and name HA  ) (resid  47 and name HN  )  2.6  0.9  0.9
assign (resid 46 and (name HB2 or name HB1 )) (resid 47 and name HN ) 3.2 3.2 1.1
assign (resid 46 and name HG# ) (resid 47 and name HN ) 3.4 3.4 1.2
assign (resid  46 and name HN  ) (resid  47 and name HN  )  3.5  1.2  1.2
assign (resid 46 and name HN ) (resid 48 and (name HD1# or name HG2# )) 4.2 4.2 1.5
assign (resid 47 and (name HB1 or name HB2 )) (resid 47 and name HN ) 2.9 2.9 1.0
assign (resid  47 and name HA  ) (resid  48 and name HN  )  2.6  0.9  0.9
assign (resid 47 and (name HB1 or name HB2 )) (resid 48 and name HN ) 3.4 3.4 1.2
assign (resid  47 and name HN  ) (resid  48 and name HN  )  3.3  1.2  1.2
assign (resid 48 and name HA ) (resid 48 and name HN ) 3.0 3.0 1.0
assign (resid 48 and name HB ) (resid 48 and name HN ) 2.7 2.7 0.9
assign (resid 48 and (name HD1# or name HG2# )) (resid 48 and name HN ) 3.1 3.1 1.1
assign (resid 48 and (name HG11 or name HG12 )) (resid 48 and name HN ) 3.1 3.1 1.1
assign (resid 48 and (name HG12 or name HG11 )) (resid 48 and name HN ) 3.0 3.0 1.0
assign (resid  48 and name HA  ) (resid  49 and name HN  )  2.5  0.9  0.9
assign (resid  48 and name HB  ) (resid  49 and name HN  )  3.8  1.3  1.3
assign (resid 48 and (name HG11 or name HG12 )) (resid 49 and name HN ) 3.3 3.3 1.2
assign (resid 48 and (name HG2# or name HD1# )) (resid 49 and name HN ) 2.8 2.8 1.0
assign (resid  48 and name HN  ) (resid  49 and name HN  )  2.9  1.0  1.0
assign (resid 48 and (name HG2# or name HD1# )) (resid 50 and name HN ) 4.1 4.1 1.4
assign (resid 49 and name HA ) (resid 49 and name HN ) 3.1 3.1 1.1
assign (resid 49 and (name HB1 or name HB2 )) (resid 49 and name HN ) 2.7 2.7 0.9
assign (resid  49 and name HA  ) (resid  50 and name HN  )  2.6  0.9  0.9
assign (resid 49 and (name HB2 or name HB1 )) (resid 50 and name HN ) 2.9 2.9 1.0
assign (resid  49 and name HN  ) (resid  50 and name HN  )  3.3  1.2  1.2
assign (resid 49 and name HN ) (resid 51 and (name HE1 or name HE2 )) 4.1 4.1 1.4
assign (resid 50 and name HA ) (resid 50 and name HN ) 3.0 3.0 1.0
assign (resid 50 and (name HB1 or name HB2 )) (resid 50 and name HN ) 2.8 2.8 1.0
assign (resid 50 and (name HB2 or name HB1 )) (resid 50 and name HN ) 2.8 2.8 1.0
assign (resid  50 and name HA  ) (resid  51 and name HN  )  2.5  0.9  0.9
assign (resid 50 and (name HB1 or name HB2 )) (resid 51 and name HN ) 3.4 3.4 1.2
assign (resid 50 and (name HB2 or name HB1 )) (resid 51 and name HN ) 3.7 3.7 1.3
assign (resid  50 and name HN  ) (resid  51 and name HN  )  3.7  1.3  1.3
assign (resid 50 and (name HB2 or name HB1 )) (resid 52 and name HN ) 4.2 4.2 1.5
assign (resid 51 and name HA ) (resid 51 and name HN ) 3.1 3.1 1.1
assign (resid 51 and (name HB2 or name HB1 )) (resid 51 and name HN ) 2.8 2.8 1.0
assign (resid 51 and (name HD1 or name HD2 )) (resid 51 and name HN ) 2.8 2.8 1.0
assign (resid 51 and (name HE1 or name HE2 )) (resid 51 and name HN ) 4.1 4.1 1.4
assign (resid  51 and name HA  ) (resid  52 and name HN  )  3.2  1.1  1.1
assign (resid 51 and (name HB1 or name HB2 )) (resid 52 and name HN ) 3.1 3.1 1.1
assign (resid 51 and (name HB2 or name HB1 )) (resid 52 and name HN ) 3.5 3.5 1.2
assign (resid  51 and name HN  ) (resid  52 and name HN  )  2.7  0.9  0.9
assign (resid  51 and name HN  ) (resid  53 and name HN  )  3.7  1.3  1.3
assign (resid 52 and name HA ) (resid 52 and name HN ) 3.0 3.0 1.1
assign (resid 52 and (name HB1 or name HB2 )) (resid 52 and name HN ) 3.1 3.1 1.1
assign (resid 52 and (name HB2 or name HB1 )) (resid 52 and name HN ) 2.7 2.7 1.0
assign (resid  52 and name HA  ) (resid  53 and name HN  )  2.7  0.9  0.9
assign (resid 52 and (name HB1 or name HB2 )) (resid 53 and name HN ) 2.9 2.9 1.0
assign (resid 52 and (name HB2 or name HB1 )) (resid 53 and name HN ) 2.9 2.9 1.0
assign (resid  52 and name HN  ) (resid  53 and name HN  )  2.7  0.9  0.9
assign (resid 53 and name HA ) (resid 53 and name HN ) 2.8 2.8 1.0
assign (resid 53 and (name HB1 or name HB2 )) (resid 53 and name HN ) 3.0 3.0 1.0
assign (resid 53 and (name HB2 or name HB1 )) (resid 53 and name HN ) 2.7 2.7 1.0
assign (resid 53 and (name HG2 or name HG1 )) (resid 53 and name HN ) 3.1 3.1 1.1
assign (resid  53 and name HA  ) (resid  54 and name HN  )  2.5  0.9  0.9
assign (resid 53 and (name HB1 or name HB2 )) (resid 54 and name HN ) 3.0 3.0 1.0
assign (resid 53 and (name HB2 or name HB1 )) (resid 54 and name HN ) 3.3 3.3 1.2
assign (resid 53 and (name HG2 or name HG1 )) (resid 54 and name HN ) 3.6 3.6 1.3
assign (resid  53 and name HN  ) (resid  54 and name HN  )  3.1  1.1  1.1
assign (resid 54 and (name HB1 or name HB2 )) (resid 54 and name HN ) 3.0 3.0 1.1
assign (resid 54 and (name HB2 or name HB1 )) (resid 54 and name HN ) 2.7 2.7 0.9
assign (resid 54 and (name HD1 or name HD2 )) (resid 54 and name HN ) 2.9 2.9 1.0
! antiparallel beta b1-b3 sheet:

assign ( resid  6 and name O ) ( resid 49 and name HN ) 1.92 0.05 0.05
assign ( resid  6 and name O ) ( resid 49 and name N  ) 2.92 0.05 0.05
assign ( resid 49 and name O ) ( resid  6 and name HN ) 1.89 0.04 0.04
assign ( resid 49 and name O ) ( resid  6 and name N  ) 2.89 0.04 0.04

assign ( resid 47 and name O ) ( resid  8 and name HN ) 1.83 0.03 0.03
assign ( resid 47 and name O ) ( resid  8 and name N  ) 2.83 0.03 0.03

! antiparallel beta b3-b2 sheet:

assign ( resid 36 and name O ) ( resid 48 and name HN ) 1.94 0.05 0.05
assign ( resid 36 and name O ) ( resid 48 and name N  ) 2.94 0.05 0.05

assign ( resid 38 and name O ) ( resid 46 and name HN ) 1.91 0.04 0.04
assign ( resid 38 and name O ) ( resid 46 and name N  ) 2.91 0.04 0.04

! helix

assign ( resid 13  and name O ) ( resid 17  and name HN ) 1.9 0.4 0.6
assign ( resid 13  and name O ) ( resid 17  and name N  ) 2.9 0.5 0.7

! helix

assign ( resid 19  and name O ) ( resid 23  and name HN ) 1.9 0.4 0.6
assign ( resid 19  and name O ) ( resid 23  and name N  ) 2.9 0.5 0.7

assign ( resid 20  and name O ) ( resid 24  and name HN ) 1.98 0.05 0.05
assign ( resid 20  and name O ) ( resid 24  and name N  ) 2.98 0.05 0.05

assign ( resid 21  and name O ) ( resid 25  and name HN ) 1.89 0.04 0.04
assign ( resid 21  and name O ) ( resid 25  and name N  ) 2.89 0.04 0.04

assign ( resid 22  and name O ) ( resid 26  and name HN ) 1.81 0.03 0.03
assign ( resid 22  and name O ) ( resid 26  and name N  ) 2.81 0.03 0.03

assign ( resid 23  and name O ) ( resid 27  and name HN ) 1.9 0.4 0.6
assign ( resid 23  and name O ) ( resid 27  and name N  ) 2.9 0.5 0.7

assign ( resid 24  and name O ) ( resid 28  and name HN ) 1.98 0.05 0.05
assign ( resid 24  and name O ) ( resid 28  and name N  ) 2.98 0.05 0.05

assign ( resid 25  and name O ) ( resid 29  and name HN ) 1.88 0.04 0.04
assign ( resid 25  and name O ) ( resid 29  and name N  ) 2.88 0.04 0.04

assign ( resid 26  and name O ) ( resid 30  and name HN ) 1.9 0.4 0.6
assign ( resid 26  and name O ) ( resid 30  and name N  ) 2.9 0.5 0.7

!others

assign ( resid  4  and name O ) ( resid 51  and name HN ) 1.86 0.04 0.04
assign ( resid  4  and name O ) ( resid 51  and name N  ) 2.86 0.04 0.04

assign ( resid 10  and name OD1 ) ( resid 10  and name HN ) 1.9 0.4 0.6
assign ( resid 10  and name OD1 ) ( resid 10  and name N  ) 2.9 0.5 0.7

assign ( resid 23  and name OD1 ) ( resid 23  and name HN ) 1.8 0.4 0.6
assign ( resid 23  and name OD1 ) ( resid 23  and name N  ) 2.8 0.5 0.7

assign ( resid 50  and name OD1 ) ( resid 50  and name HN ) 2.2 0.4 0.7
assign ( resid 50  and name OD1 ) ( resid 50  and name N  ) 2.8 0.5 0.7

assign ( resid 50  and name OD1 ) ( resid 52  and name HN ) 2.2 0.4 0.7
assign ( resid 50  and name OD1 ) ( resid 52  and name N  ) 3.1 0.5 0.7
!! K5
assign (resid   4 and name  C) (resid   5 and name  N)
       (resid   5 and name CA) (resid   5 and name  C)   1 -136.00 48.00  2
!! K6
assign (resid   5 and name  C) (resid   6 and name  N)
       (resid   6 and name CA) (resid   6 and name  C)   1 -128.00 24.00  2
!! V7
assign (resid   6 and name  C) (resid   7 and name  N)
       (resid   7 and name CA) (resid   7 and name  C)   1 -96.00 24.00  2
!! Y8
assign (resid   7 and name  C) (resid   8 and name  N)
       (resid   8 and name CA) (resid   8 and name  C)   1 -105.00 50.00  2
!! P12
assign (resid  11 and name  C) (resid  12 and name  N)
       (resid  12 and name CA) (resid  12 and name  C)   1 -82.00 46.00  2
!! V13
assign (resid  12 and name  C) (resid  13 and name  N)
       (resid  13 and name CA) (resid  13 and name  C)   1 -92.00 38.00  2
!! S14
assign (resid  13 and name  C) (resid  14 and name  N)
       (resid  14 and name CA) (resid  14 and name  C)   1 -64.00 18.00  2
!! K15
assign (resid  14 and name  C) (resid  15 and name  N)
       (resid  15 and name CA) (resid  15 and name  C)   1 -63.00 8.00  2
!! c16
assign (resid  15 and name  C) (resid  16 and name  N)
       (resid  16 and name CA) (resid  16 and name  C)   1 -72.00 22.00  2
!! L18
assign (resid  17 and name  C) (resid  18 and name  N)
       (resid  18 and name CA) (resid  18 and name  C)   1 -101.00 76.00  2
!! A19
assign (resid  18 and name  C) (resid  19 and name  N)
       (resid  19 and name CA) (resid  19 and name  C)   1 -59.00 14.00  2
!! N20
assign (resid  19 and name  C) (resid  20 and name  N)
       (resid  20 and name CA) (resid  20 and name  C)   1 -68.00 16.00  2
!! Q21
assign (resid  20 and name  C) (resid  21 and name  N)
       (resid  21 and name CA) (resid  21 and name  C)   1 -67.00 12.00  2
!! c22
assign (resid  21 and name  C) (resid  22 and name  N)
       (resid  22 and name CA) (resid  22 and name  C)   1 -62.00 10.00  2
!! N23
assign (resid  22 and name  C) (resid  23 and name  N)
       (resid  23 and name CA) (resid  23 and name  C)   1 -59.00 8.00  2
!! Y24
assign (resid  23 and name  C) (resid  24 and name  N)
       (resid  24 and name CA) (resid  24 and name  C)   1 -62.00 8.00  2
!! D25
assign (resid  24 and name  C) (resid  25 and name  N)
       (resid  25 and name CA) (resid  25 and name  C)   1 -66.00 14.00  2
!! c26
assign (resid  25 and name  C) (resid  26 and name  N)
       (resid  26 and name CA) (resid  26 and name  C)   1 -63.00 6.00  2
!! K27
assign (resid  26 and name  C) (resid  27 and name  N)
       (resid  27 and name CA) (resid  27 and name  C)   1 -62.00 12.00  2
!! L28
assign (resid  27 and name  C) (resid  28 and name  N)
       (resid  28 and name CA) (resid  28 and name  C)   1 -63.00 8.00  2
!! D29
assign (resid  28 and name  C) (resid  29 and name  N)
       (resid  29 and name CA) (resid  29 and name  C)   1 -71.00 26.00  2
!! K30
assign (resid  29 and name  C) (resid  30 and name  N)
       (resid  30 and name CA) (resid  30 and name  C)   1 -104.00 22.00  2
!! H31
assign (resid  30 and name  C) (resid  31 and name  N)
       (resid  31 and name CA) (resid  31 and name  C)   1 56.00 20.00  2
!! S34
assign (resid  33 and name  C) (resid  34 and name  N)
       (resid  34 and name CA) (resid  34 and name  C)   1 -99.00 28.00  2
!! E36
assign (resid  35 and name  C) (resid  36 and name  N)
       (resid  36 and name CA) (resid  36 and name  C)   1 -121.00 50.00  2
!! c37
assign (resid  36 and name  C) (resid  37 and name  N)
       (resid  37 and name CA) (resid  37 and name  C)   1 -123.00 36.00  2
!! F38
assign (resid  37 and name  C) (resid  38 and name  N)
       (resid  38 and name CA) (resid  38 and name  C)   1 -135.00 26.00  2
!! Y39
assign (resid  38 and name  C) (resid  39 and name  N)
       (resid  39 and name CA) (resid  39 and name  C)   1 -86.00 34.00  2
!! D40
assign (resid  39 and name  C) (resid  40 and name  N)
       (resid  40 and name CA) (resid  40 and name  C)   1 -103.00 68.00  2
!! K42
assign (resid  41 and name  C) (resid  42 and name  N)
       (resid  42 and name CA) (resid  42 and name  C)   1 -93.00 46.00  2
!! R43
assign (resid  42 and name  C) (resid  43 and name  N)
       (resid  43 and name CA) (resid  43 and name  C)   1 63.00 14.00  2
!! N44
assign (resid  43 and name  C) (resid  44 and name  N)
       (resid  44 and name CA) (resid  44 and name  C)   1 -96.00 28.00  2
!! L45
assign (resid  44 and name  C) (resid  45 and name  N)
       (resid  45 and name CA) (resid  45 and name  C)   1 -90.00 38.00  2
!! Q46
assign (resid  45 and name  C) (resid  46 and name  N)
       (resid  46 and name CA) (resid  46 and name  C)   1 -109.00 30.00  2
!! c47
assign (resid  46 and name  C) (resid  47 and name  N)
       (resid  47 and name CA) (resid  47 and name  C)   1 -100.00 38.00  2
!! I48
assign (resid  47 and name  C) (resid  48 and name  N)
       (resid  48 and name CA) (resid  48 and name  C)   1 -106.00 26.00  2
!! c49
assign (resid  48 and name  C) (resid  49 and name  N)
       (resid  49 and name CA) (resid  49 and name  C)   1 -108.00 48.00  2
!! D50
assign (resid  49 and name  C) (resid  50 and name  N)
       (resid  50 and name CA) (resid  50 and name  C)   1 -114.00 54.00  2
!! Y51
assign (resid  50 and name  C) (resid  51 and name  N)
       (resid  51 and name CA) (resid  51 and name  C)   1 -79.00 28.00  2
!! E53
assign (resid  52 and name  C) (resid  53 and name  N)
       (resid  53 and name CA) (resid  53 and name  C)   1 -104.00 56.00  2
!! K5
assign (resid   5 and name  N) (resid   5 and name CA)
       (resid   5 and name  C) (resid   6 and name  N)   1 152.00 32.00  2
!! K6
assign (resid   6 and name  N) (resid   6 and name CA)
       (resid   6 and name  C) (resid   7 and name  N)   1 132.00 22.00  2
!! V7
assign (resid   7 and name  N) (resid   7 and name CA)
       (resid   7 and name  C) (resid   8 and name  N)   1 121.00 18.00  2
!! Y8
assign (resid   8 and name  N) (resid   8 and name CA)
       (resid   8 and name  C) (resid   9 and name  N)   1 110.00 30.00  2
!! P12
assign (resid  12 and name  N) (resid  12 and name CA)
       (resid  12 and name  C) (resid  13 and name  N)   1 147.00 28.00  2
!! V13
assign (resid  13 and name  N) (resid  13 and name CA)
       (resid  13 and name  C) (resid  14 and name  N)   1 158.00 60.00  2
!! S14
assign (resid  14 and name  N) (resid  14 and name CA)
       (resid  14 and name  C) (resid  15 and name  N)   1 -34.00 12.00  2
!! K15
assign (resid  15 and name  N) (resid  15 and name CA)
       (resid  15 and name  C) (resid  16 and name  N)   1 -44.00 16.00  2
!! c16
assign (resid  16 and name  N) (resid  16 and name CA)
       (resid  16 and name  C) (resid  17 and name  N)   1 -32.00 30.00  2
!! L18
assign (resid  18 and name  N) (resid  18 and name CA)
       (resid  18 and name  C) (resid  19 and name  N)   1 131.00 48.00  2
!! A19
assign (resid  19 and name  N) (resid  19 and name CA)
       (resid  19 and name  C) (resid  20 and name  N)   1 -28.00 18.00  2
!! N20
assign (resid  20 and name  N) (resid  20 and name CA)
       (resid  20 and name  C) (resid  21 and name  N)   1 -32.00 26.00  2
!! Q21
assign (resid  21 and name  N) (resid  21 and name CA)
       (resid  21 and name  C) (resid  22 and name  N)   1 -46.00 10.00  2
!! c22
assign (resid  22 and name  N) (resid  22 and name CA)
       (resid  22 and name  C) (resid  23 and name  N)   1 -39.00 14.00  2
!! N23
assign (resid  23 and name  N) (resid  23 and name CA)
       (resid  23 and name  C) (resid  24 and name  N)   1 -42.00 10.00  2
!! Y24
assign (resid  24 and name  N) (resid  24 and name CA)
       (resid  24 and name  C) (resid  25 and name  N)   1 -44.00 14.00  2
!! D25
assign (resid  25 and name  N) (resid  25 and name CA)
       (resid  25 and name  C) (resid  26 and name  N)   1 -39.00 24.00  2
!! c26
assign (resid  26 and name  N) (resid  26 and name CA)
       (resid  26 and name  C) (resid  27 and name  N)   1 -41.00 12.00  2
!! K27
assign (resid  27 and name  N) (resid  27 and name CA)
       (resid  27 and name  C) (resid  28 and name  N)   1 -41.00 10.00  2
!! L28
assign (resid  28 and name  N) (resid  28 and name CA)
       (resid  28 and name  C) (resid  29 and name  N)   1 -43.00 12.00  2
!! D29
assign (resid  29 and name  N) (resid  29 and name CA)
       (resid  29 and name  C) (resid  30 and name  N)   1 -35.00 26.00  2
!! K30
assign (resid  30 and name  N) (resid  30 and name CA)
       (resid  30 and name  C) (resid  31 and name  N)   1 13.00 20.00  2
!! H31
assign (resid  31 and name  N) (resid  31 and name CA)
       (resid  31 and name  C) (resid  32 and name  N)   1 41.00 24.00  2
!! S34
assign (resid  34 and name  N) (resid  34 and name CA)
       (resid  34 and name  C) (resid  35 and name  N)   1 -13.00 36.00  2
!! E36
assign (resid  36 and name  N) (resid  36 and name CA)
       (resid  36 and name  C) (resid  37 and name  N)   1 143.00 34.00  2
!! c37
assign (resid  37 and name  N) (resid  37 and name CA)
       (resid  37 and name  C) (resid  38 and name  N)   1 137.00 30.00  2
!! F38
assign (resid  38 and name  N) (resid  38 and name CA)
       (resid  38 and name  C) (resid  39 and name  N)   1 151.00 30.00  2
!! Y39
assign (resid  39 and name  N) (resid  39 and name CA)
       (resid  39 and name  C) (resid  40 and name  N)   1 131.00 22.00  2
!! D40
assign (resid  40 and name  N) (resid  40 and name CA)
       (resid  40 and name  C) (resid  41 and name  N)   1 158.00 42.00  2
!! K42
assign (resid  42 and name  N) (resid  42 and name CA)
       (resid  42 and name  C) (resid  43 and name  N)   1 -6.00 44.00  2
!! R43
assign (resid  43 and name  N) (resid  43 and name CA)
       (resid  43 and name  C) (resid  44 and name  N)   1 34.00 14.00  2
!! N44
assign (resid  44 and name  N) (resid  44 and name CA)
       (resid  44 and name  C) (resid  45 and name  N)   1 136.00 16.00  2
!! L45
assign (resid  45 and name  N) (resid  45 and name CA)
       (resid  45 and name  C) (resid  46 and name  N)   1 130.00 22.00  2
!! Q46
assign (resid  46 and name  N) (resid  46 and name CA)
       (resid  46 and name  C) (resid  47 and name  N)   1 132.00 36.00  2
!! c47
assign (resid  47 and name  N) (resid  47 and name CA)
       (resid  47 and name  C) (resid  48 and name  N)   1 115.00 24.00  2
!! I48
assign (resid  48 and name  N) (resid  48 and name CA)
       (resid  48 and name  C) (resid  49 and name  N)   1 124.00 20.00  2
!! c49
assign (resid  49 and name  N) (resid  49 and name CA)
       (resid  49 and name  C) (resid  50 and name  N)   1 134.00 50.00  2
!! D50
assign (resid  50 and name  N) (resid  50 and name CA)
       (resid  50 and name  C) (resid  51 and name  N)   1 127.00 18.00  2
!! Y51
assign (resid  51 and name  N) (resid  51 and name CA)
       (resid  51 and name  C) (resid  52 and name  N)   1 137.00 24.00  2
!! E53
assign (resid  53 and name  N) (resid  53 and name CA)
       (resid  53 and name  C) (resid  54 and name  N)   1 144.00 28.00  2
!chi2 angles of phe, tyr, asp, and glu are constrained to 0..180 degrees by standard_angles.inp
!D2
assign (resid 2 and name n  ) (resid 2 and name ca )
       (resid 2 and name cb ) (resid 2 and name cg )  1.0    0.0  120.0 2
assign (resid 2 and name ca ) (resid 2 and name cb )
       (resid 2 and name cg ) (resid 2 and name od1)  1.0    0.0   30.0 2
!D25
assign (resid 25 and name n  ) (resid 25 and name ca )
       (resid 25 and name cb ) (resid 25 and name cg )  1.0  -60.0  30.0 2
assign (resid 25 and name ca ) (resid 25 and name cb )
       (resid 25 and name cg ) (resid 25 and name od1)  1.0    0.0   30.0 2
!D29
assign (resid 29 and name n  ) (resid 29 and name ca )
       (resid 29 and name cb ) (resid 29 and name cg )  1.0  -60.0  30.0 2
assign (resid 29 and name ca ) (resid 29 and name cb )
       (resid 29 and name cg ) (resid 29 and name od1)  1.0    0.0   30.0 2
!D40
assign (resid 40 and name n  ) (resid 40 and name ca )
       (resid 40 and name cb ) (resid 40 and name cg )  1.0    0.0  120.0 2
assign (resid 40 and name ca ) (resid 40 and name cb )
       (resid 40 and name cg ) (resid 40 and name od1)  1.0    0.0   30.0 2
!D50
assign (resid 50 and name n  ) (resid 50 and name ca )
       (resid 50 and name cb ) (resid 50 and name cg )  1.0   60.0  30.0 2
assign (resid 50 and name ca ) (resid 50 and name cb )
       (resid 50 and name cg ) (resid 50 and name od1)  1.0    0.0   30.0 2
!E9
assign (resid 9 and name n  ) (resid 9 and name ca )
       (resid 9 and name cb ) (resid 9 and name cg )  1.0    0.0  120.0 2
assign (resid 9 and name ca ) (resid 9 and name cb )
       (resid 9 and name cg ) (resid 9 and name cd )  1.0    0.0  120.0 2
assign (resid 9 and name cb ) (resid 9 and name cg )
       (resid 9 and name cd ) (resid 9 and name oe1)  1.0    0.0   30.0 2
!E36
assign (resid 36 and name n  ) (resid 36 and name ca )
       (resid 36 and name cb ) (resid 36 and name cg )  1.0  -60.0   30.0 2
assign (resid 36 and name ca ) (resid 36 and name cb )
       (resid 36 and name cg ) (resid 36 and name cd )  1.0    0.0  120.0 2
assign (resid 36 and name cb ) (resid 36 and name cg )
       (resid 36 and name cd ) (resid 36 and name oe1)  1.0    0.0   30.0 2
!E41
assign (resid 41 and name n  ) (resid 41 and name ca )
       (resid 41 and name cb ) (resid 41 and name cg )  1.0    0.0  120.0 2
assign (resid 41 and name ca ) (resid 41 and name cb )
       (resid 41 and name cg ) (resid 41 and name cd )  1.0    0.0  120.0 2
assign (resid 41 and name cb ) (resid 41 and name cg )
       (resid 41 and name cd ) (resid 41 and name oe1)  1.0    0.0   30.0 2
!E53
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    0.0  120.0 2
assign (resid 53 and name cb ) (resid 53 and name cg )
       (resid 53 and name cd ) (resid 53 and name oe1)  1.0    0.0   30.0 2
!F38
assign (resid 38 and name n  ) (resid 38 and name ca )
       (resid 38 and name cb ) (resid 38 and name cg )  1.0  -60.0   30.0 2
assign (resid 38 and name ca ) (resid 38 and name cb )
       (resid 38 and name cg ) (resid 38 and name cd1 )  1.0  90.0    30.0 2
!Y8
assign (resid 8 and name n  ) (resid 8 and name ca )
       (resid 8 and name cb ) (resid 8 and name cg )  1.0   -60.0   30.0 2
assign (resid 8 and name ca ) (resid 8 and name cb )
       (resid 8 and name cg ) (resid 8 and name cd1 )  1.0  90.0    30.0 2
!Y11
assign (resid 11 and name n  ) (resid 11 and name ca )
       (resid 11 and name cb ) (resid 11 and name cg )  1.0   -60.0   30.0 2
assign (resid 11 and name ca ) (resid 11 and name cb )
       (resid 11 and name cg ) (resid 11 and name cd1 )  1.0  90.0    30.0 2
!Y24
assign (resid 24 and name n  ) (resid 24 and name ca )
       (resid 24 and name cb ) (resid 24 and name cg )  1.0   -60.0   30.0 2
assign (resid 24 and name ca ) (resid 24 and name cb )
       (resid 24 and name cg ) (resid 24 and name cd1 )  1.0  90.0    30.0 2
!Y39
assign (resid 39 and name n  ) (resid 39 and name ca )
       (resid 39 and name cb ) (resid 39 and name cg )  1.0   -60.0   30.0 2
assign (resid 39 and name ca ) (resid 39 and name cb )
       (resid 39 and name cg ) (resid 39 and name cd1 )  1.0  90.0    30.0 2
!Y51
assign (resid 51 and name n  ) (resid 51 and name ca )
       (resid 51 and name cb ) (resid 51 and name cg )  1.0   -60.0   30.0 2
assign (resid 51 and name ca ) (resid 51 and name cb )
       (resid 51 and name cg ) (resid 51 and name cd1 )  1.0  90.0    30.0 2
!Y54
assign (resid 54 and name n  ) (resid 54 and name ca )
       (resid 54 and name cb ) (resid 54 and name cg )  1.0   0.0   90.0 2
assign (resid 54 and name ca ) (resid 54 and name cb )
       (resid 54 and name cg ) (resid 54 and name cd1 )  1.0  90.0    30.0 2
!R33
assign (resid 33 and name n  ) (resid 33 and name ca )
       (resid 33 and name cb ) (resid 33 and name cg )  1.0   -60.0   30.0 2
assign (resid 33 and name ca ) (resid 33 and name cb )
       (resid 33 and name cg ) (resid 33 and name cd )  1.0  -120.0   90.0 2
assign (resid 33 and name cb ) (resid 33 and name cg )
       (resid 33 and name cd ) (resid 33 and name ne )  1.0  -120.0   90.0 2
!R43
assign (resid 43 and name n  ) (resid 43 and name ca )
       (resid 43 and name cb ) (resid 43 and name cg )  1.0   -60.0   30.0 2
assign (resid 43 and name ca ) (resid 43 and name cb )
       (resid 43 and name cg ) (resid 43 and name cd )  1.0  -120.0   90.0 2
assign (resid 43 and name cb ) (resid 43 and name cg )
       (resid 43 and name cd ) (resid 43 and name ne )  1.0  -120.0   90.0 2
!K3
assign (resid 3 and name n  ) (resid 3 and name ca )
       (resid 3 and name cb ) (resid 3 and name cg )  1.0     0.0   90.0 2
assign (resid 3 and name ca ) (resid 3 and name cb )
       (resid 3 and name cg ) (resid 3 and name cd )  1.0   -120.0  90.0 2
!K5
assign (resid 5 and name n  ) (resid 5 and name ca )
       (resid 5 and name cb ) (resid 5 and name cg )  1.0     0.0   90.0 2
assign (resid 5 and name ca ) (resid 5 and name cb )
       (resid 5 and name cg ) (resid 5 and name cd )  1.0   -120.0  90.0 2
!K6
assign (resid 6 and name n  ) (resid 6 and name ca )
       (resid 6 and name cb ) (resid 6 and name cg )  1.0    -60.0   30.0 2
assign (resid 6 and name ca ) (resid 6 and name cb )
       (resid 6 and name cg ) (resid 6 and name cd )  1.0   -120.0  90.0 2
!K15
assign (resid 15 and name n  ) (resid 15 and name ca )
       (resid 15 and name cb ) (resid 15 and name cg )  1.0     0.0   90.0 2
assign (resid 15 and name ca ) (resid 15 and name cb )
       (resid 15 and name cg ) (resid 15 and name cd )  1.0   -120.0  90.0 2
!K27
assign (resid 27 and name n  ) (resid 27 and name ca )
       (resid 27 and name cb ) (resid 27 and name cg )  1.0    -60.0   30.0 2
assign (resid 27 and name ca ) (resid 27 and name cb )
       (resid 27 and name cg ) (resid 27 and name cd )  1.0   -120.0  90.0 2
!K30
assign (resid 30 and name n  ) (resid 30 and name ca )
       (resid 30 and name cb ) (resid 30 and name cg )  1.0    -60.0   30.0 2
assign (resid 30 and name ca ) (resid 30 and name cb )
       (resid 30 and name cg ) (resid 30 and name cd )  1.0   -120.0  90.0 2
!K42
assign (resid 42 and name n  ) (resid 42 and name ca )
       (resid 42 and name cb ) (resid 42 and name cg )  1.0    -60.0   42.0 2
assign (resid 42 and name ca ) (resid 42 and name cb )
       (resid 42 and name cg ) (resid 42 and name cd )  1.0   -120.0  90.0 2
!Q17
assign (resid 17 and name n  ) (resid 17 and name ca )
       (resid 17 and name cb ) (resid 17 and name cg )  1.0    60.0   30.0 2
assign (resid 17 and name ca ) (resid 17 and name cb )
       (resid 17 and name cg ) (resid 17 and name cd )  1.0   -120.0  90.0 2
assign (resid 17 and name cb ) (resid 17 and name cg )
       (resid 17 and name cd ) (resid 17 and name oe1 )  1.0    0.0   60.0 2
!Q21
assign (resid 21 and name n  ) (resid 21 and name ca )
       (resid 21 and name cb ) (resid 21 and name cg )  1.0   -60.0   30.0 2
assign (resid 21 and name ca ) (resid 21 and name cb )
       (resid 21 and name cg ) (resid 21 and name cd )  1.0   -120.0  90.0 2
assign (resid 21 and name cb ) (resid 21 and name cg )
       (resid 21 and name cd ) (resid 21 and name oe1 )  1.0    0.0   60.0 2
!Q46
assign (resid 46 and name n  ) (resid 46 and name ca )
       (resid 46 and name cb ) (resid 46 and name cg )  1.0   -60.0   30.0 2
assign (resid 46 and name ca ) (resid 46 and name cb )
       (resid 46 and name cg ) (resid 46 and name cd )  1.0   -120.0  90.0 2
assign (resid 46 and name cb ) (resid 46 and name cg )
       (resid 46 and name cd ) (resid 46 and name oe1 )  1.0    0.0   60.0 2
!H31
assign (resid 31 and name n  ) (resid 31 and name ca )
       (resid 31 and name cb ) (resid 31 and name cg )  1.0  -60.0   30.0 2
assign (resid 31 and name ca ) (resid 31 and name cb )
       (resid 31 and name cg ) (resid 31 and name nd1 )  1.0  0.0   120.0 2
!L18
assign (resid 18 and name n  ) (resid 18 and name ca )
       (resid 18 and name cb ) (resid 18 and name cg )  1.0  -60.0    30.0 2
assign (resid 18 and name ca ) (resid 18 and name cb )
       (resid 18 and name cg ) (resid 18 and name cd1 )  1.0  180.0    40.0 2
!L28
assign (resid 28 and name n  ) (resid 28 and name ca )
       (resid 28 and name cb ) (resid 28 and name cg )  1.0  -60.0    30.0 2
assign (resid 28 and name ca ) (resid 28 and name cb )
       (resid 28 and name cg ) (resid 28 and name cd1 )  1.0  180.0    40.0 2
!L45
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    30.0 2
assign (resid 45 and name ca ) (resid 45 and name cb )
       (resid 45 and name cg ) (resid 45 and name cd1 )  1.0  180.0    40.0 2
!I48
assign (resid 48 and name n  ) (resid 48 and name ca )
       (resid 48 and name cb ) (resid 48 and name cg1 )  1.0  -60.0    30.0 2
assign (resid 48 and name ca ) (resid 48 and name cb )
       (resid 48 and name cg1 ) (resid 48 and name cd1 )  1.0  -120.0    90.0 2
!V13
!assign (resid 13 and name n  ) (resid 13 and name ca )
!       (resid 13 and name cb ) (resid 13 and name cg1 )  1.0  -60.0    30.0 2
!C4
assign (resid 4 and name n  ) (resid 4 and name ca )
       (resid 4 and name cb ) (resid 4 and name sg )  1.0  -60.0    60.0 2
!C16
assign (resid 16 and name n  ) (resid 16 and name ca )
       (resid 16 and name cb ) (resid 16 and name sg )  1.0  -60.0    60.0 2
!C22
assign (resid 22 and name n  ) (resid 22 and name ca )
       (resid 22 and name cb ) (resid 22 and name sg )  1.0  -60.0    60.0 2
!C26
assign (resid 26 and name n  ) (resid 26 and name ca )
       (resid 26 and name cb ) (resid 26 and name sg )  1.0  -60.0    60.0 2
!C37
assign (resid 37 and name n  ) (resid 37 and name ca )
       (resid 37 and name cb ) (resid 37 and name sg )  1.0  -60.0    60.0 2
!C47
assign (resid 47 and name n  ) (resid 47 and name ca )
       (resid 47 and name cb ) (resid 47 and name sg )  1.0  -60.0    60.0 2
!C49
assign (resid 49 and name n  ) (resid 49 and name ca )
       (resid 49 and name cb ) (resid 49 and name sg )  1.0  -60.0    60.0 2
!C52
assign (resid 52 and name n  ) (resid 52 and name ca )
       (resid 52 and name cb ) (resid 52 and name sg )  1.0  -60.0    60.0 2
!N10
assign (resid 10 and name n  ) (resid 10 and name ca )
       (resid 10 and name cb ) (resid 10 and name cg )  1.0  -60.0  30.0 2
assign (resid 10 and name ca ) (resid 10 and name cb )
       (resid 10 and name cg ) (resid 10 and name od1)  1.0   -20.0   20.0 2
!N20
assign (resid 20 and name n  ) (resid 20 and name ca )
       (resid 20 and name cb ) (resid 20 and name cg )  1.0  -60.0  30.0 2
assign (resid 20 and name ca ) (resid 20 and name cb )
       (resid 20 and name cg ) (resid 20 and name od1)  1.0   -20.0   20.0 2
!N23
assign (resid 23 and name n  ) (resid 23 and name ca )
       (resid 23 and name cb ) (resid 23 and name cg )  1.0  60.0  30.0 2
assign (resid 23 and name ca ) (resid 23 and name cb )
       (resid 23 and name cg ) (resid 23 and name od1)  1.0  0.0   40.0 2
!N44
assign (resid 44 and name n  ) (resid 44 and name ca )
       (resid 44 and name cb ) (resid 44 and name cg )  1.0  0.0  120.0 2
assign (resid 44 and name ca ) (resid 44 and name cb )
       (resid 44 and name cg ) (resid 44 and name od1)  1.0  0.0  40.0 2
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name N   )
       ( resid 7    and name HN  )  0.1770   1.0  1.0

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 N   )
       ( resid 9    and name HN  )  1.2360   1.0  1.0

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  )  4.4580   1.0  1.0

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  )  4.5830   1.0  1.0

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  )  -2.6810   1.0  1.0

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 N   )
       ( resid 14   and name HN  )  -4.9800   1.0  1.0

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  )  -6.8950   1.0  1.0

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 N   )
       ( resid 16   and name HN  )  -1.6850   1.0  1.0

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  )  -3.4990   1.0  1.0

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  )  -7.5810   1.0  1.0

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 N   )
       ( resid 19   and name HN  )  -0.9360   1.0  1.0

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  )  3.3810   1.0  1.0

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  )  -0.2040   1.0  1.0

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  )  -1.8300   1.0  1.0

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  )  -1.4950   1.0  1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name N   )
       ( resid 25   and name HN  )  -0.4510   1.0  1.0

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 N   )
       ( resid 26   and name HN  )  -5.0980   1.0  1.0

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  )  -8.2240   1.0  1.0

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  )  -2.6930   1.0  1.0

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 N   )
       ( resid 29   and name HN  )  -2.3530   1.0  1.0

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  )  -7.1370   1.0  1.0

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  )  2.7990   1.0  1.0

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  )  5.8790   1.0  1.0

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 N   )
       ( resid 33   and name HN  )  3.2030   1.0  1.0

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  )  -2.5210   1.0  1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name N   )
       ( resid 35   and name HN  )  -5.1850   1.0  1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 36   and name N   )
       ( resid 36   and name HN  )  -5.8330   1.0  1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 37   and name N   )
       ( resid 37   and name HN  )  -4.9600   1.0  1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 38   and name N   )
       ( resid 38   and name HN  )  -8.0680   1.0  1.0

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 N   )
       ( resid 39   and name HN  )  -5.8650   1.0  1.0

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  )  1.7460   1.0  1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 41   and name N   )
       ( resid 41   and name HN  )  -3.9740   1.0  1.0

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 N   )
       ( resid 42   and name HN  )  2.5330   1.0  1.0

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  )  1.4090   1.0  1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 44   and name N   )
       ( resid 44   and name HN  )  0.7720   1.0  1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 45   and name N   )
       ( resid 45   and name HN  )  0.7640   1.0  1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 46   and name N   )
       ( resid 46   and name HN  )  -1.8520   1.0  1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 47   and name N   )
       ( resid 47   and name HN  )  -6.7050   1.0  1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 48   and name N   )
       ( resid 48   and name HN  )  -8.9950   1.0  1.0

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 N   )
       ( resid 50   and name HN  )  0.4780   1.0  1.0

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 N   )
       ( resid 51   and name HN  )  4.5160   1.0  1.0

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  )  -0.6700   1.0  1.0

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  )  -5.2610   1.0  1.0

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  )  -2.7670   1.0  1.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   2           H        ASP   2  -6.157  -6.582  11.117
    2    HA   ASP   2           HA       ASP   2  -6.964  -6.387   8.373
    3    HB2  ASP   2           2HB      ASP   2  -8.447  -7.337  10.833
    4    HB3  ASP   2           1HB      ASP   2  -9.057  -7.482   9.185
    5    H    LYS   3           H        LYS   3  -8.588  -5.244  11.345
    6    HA   LYS   3           HA       LYS   3 -10.450  -3.591  10.061
    7    HB2  LYS   3           2HB      LYS   3  -9.241  -3.367  12.828
    8    HB3  LYS   3           1HB      LYS   3 -10.650  -2.461  12.276
    9    HG2  LYS   3           2HG      LYS   3 -11.798  -4.617  11.774
   10    HG3  LYS   3           1HG      LYS   3 -10.410  -5.480  12.439
   11    HD2  LYS   3           2HD      LYS   3 -10.750  -4.240  14.595
   12    HD3  LYS   3           1HD      LYS   3 -12.229  -3.559  13.918
   13    HE2  LYS   3           2HE      LYS   3 -13.191  -5.776  13.657
   14    HE3  LYS   3           1HE      LYS   3 -11.682  -6.529  14.171
   15    HZ1  LYS   3           3HZ      LYS   3 -13.216  -6.453  16.000
   16    HZ2  LYS   3           1HZ      LYS   3 -13.429  -4.781  15.815
   17    HZ3  LYS   3           2HZ      LYS   3 -11.926  -5.394  16.316
   18    H    CYS   4           H        CYS   4  -7.152  -2.962  11.146
   19    HA   CYS   4           HA       CYS   4  -7.336  -0.168  10.284
   20    HB2  CYS   4           2HB      CYS   4  -4.872  -1.519  11.363
   21    HB3  CYS   4           1HB      CYS   4  -5.308   0.188  11.423
   22    H    LYS   5           H        LYS   5  -6.794  -3.073   8.841
   23    HA   LYS   5           HA       LYS   5  -4.880  -1.923   6.899
   24    HB2  LYS   5           2HB      LYS   5  -5.369  -4.838   7.545
   25    HB3  LYS   5           1HB      LYS   5  -4.205  -4.216   6.375
   26    HG2  LYS   5           2HG      LYS   5  -4.175  -3.511   9.322
   27    HG3  LYS   5           1HG      LYS   5  -3.191  -4.787   8.604
   28    HD2  LYS   5           2HD      LYS   5  -2.421  -2.923   6.945
   29    HD3  LYS   5           1HD      LYS   5  -3.023  -1.814   8.178
   30    HE2  LYS   5           2HE      LYS   5  -0.833  -3.879   8.442
   31    HE3  LYS   5           1HE      LYS   5  -0.726  -2.139   8.710
   32    HZ1  LYS   5           3HZ      LYS   5  -1.699  -2.294  10.735
   33    HZ2  LYS   5           1HZ      LYS   5  -1.009  -3.842  10.686
   34    HZ3  LYS   5           2HZ      LYS   5  -2.654  -3.634  10.314
   35    H    LYS   6           H        LYS   6  -5.359  -1.997   4.746
   36    HA   LYS   6           HA       LYS   6  -7.756  -3.435   3.863
   37    HB2  LYS   6           2HB      LYS   6  -7.320  -0.479   3.333
   38    HB3  LYS   6           1HB      LYS   6  -8.632  -1.467   2.689
   39    HG2  LYS   6           2HG      LYS   6  -9.354  -1.967   5.026
   40    HG3  LYS   6           1HG      LYS   6  -8.109  -0.865   5.614
   41    HD2  LYS   6           2HD      LYS   6  -9.179   0.908   4.104
   42    HD3  LYS   6           1HD      LYS   6 -10.540  -0.204   3.946
   43    HE2  LYS   6           2HE      LYS   6 -10.642  -0.277   6.477
   44    HE3  LYS   6           1HE      LYS   6  -9.472   1.043   6.490
   45    HZ1  LYS   6           3HZ      LYS   6 -11.941   1.243   4.893
   46    HZ2  LYS   6           1HZ      LYS   6 -10.962   2.487   5.503
   47    HZ3  LYS   6           2HZ      LYS   6 -11.961   1.601   6.554
   48    H    VAL   7           H        VAL   7  -7.023  -4.678   2.275
   49    HA   VAL   7           HA       VAL   7  -4.653  -3.969   0.774
   50    HB   VAL   7           HB       VAL   7  -6.494  -6.325   0.347
   51   HG11  VAL   7          1HG1      VAL   7  -4.839  -5.842  -1.440
   52   HG12  VAL   7          2HG1      VAL   7  -4.472  -7.347  -0.599
   53   HG13  VAL   7          3HG1      VAL   7  -3.549  -5.889  -0.238
   54   HG21  VAL   7          3HG2      VAL   7  -4.070  -6.076   2.157
   55   HG22  VAL   7          1HG2      VAL   7  -5.004  -7.545   1.875
   56   HG23  VAL   7          2HG2      VAL   7  -5.742  -6.178   2.710
   57    H    TYR   8           H        TYR   8  -4.563  -3.039  -1.160
   58    HA   TYR   8           HA       TYR   8  -7.067  -2.791  -2.715
   59    HB2  TYR   8           2HB      TYR   8  -4.750  -0.899  -2.351
   60    HB3  TYR   8           1HB      TYR   8  -5.843  -0.763  -3.729
   61    HD1  TYR   8           2HD      TYR   8  -8.204  -0.179  -3.420
   62    HD2  TYR   8           1HD      TYR   8  -5.523  -0.464  -0.076
   63    HE1  TYR   8           2HE      TYR   8  -9.862   0.987  -1.992
   64    HE2  TYR   8           1HE      TYR   8  -7.182   0.702   1.353
   65    HH   TYR   8           HH       TYR   8  -9.102   2.287   1.018
   66    H    GLU   9           H        GLU   9  -6.492  -4.906  -3.630
   67    HA   GLU   9           HA       GLU   9  -4.126  -5.348  -5.113
   68    HB2  GLU   9           2HB      GLU   9  -6.867  -6.576  -5.497
   69    HB3  GLU   9           1HB      GLU   9  -5.349  -7.213  -6.132
   70    HG2  GLU   9           2HG      GLU   9  -5.596  -8.445  -4.163
   71    HG3  GLU   9           1HG      GLU   9  -4.568  -7.115  -3.635
   72    H    ASN  10           H        ASN  10  -6.683  -3.251  -5.673
   73    HA   ASN  10           HA       ASN  10  -6.491  -3.367  -8.590
   74    HB2  ASN  10           2HB      ASN  10  -8.044  -1.291  -7.078
   75    HB3  ASN  10           1HB      ASN  10  -8.383  -2.008  -8.652
   76   HD21  ASN  10          1HD2      ASN  10 -10.013  -1.886  -6.023
   77   HD22  ASN  10          2HD2      ASN  10 -10.465  -3.501  -5.760
   78    H    TYR  11           H        TYR  11  -4.336  -2.421  -6.573
   79    HA   TYR  11           HA       TYR  11  -3.548  -0.142  -8.198
   80    HB2  TYR  11           2HB      TYR  11  -4.156   0.086  -5.260
   81    HB3  TYR  11           1HB      TYR  11  -3.055   1.202  -6.071
   82    HD1  TYR  11           1HD      TYR  11  -6.540  -0.035  -5.921
   83    HD2  TYR  11           2HD      TYR  11  -3.861   2.833  -7.670
   84    HE1  TYR  11           1HE      TYR  11  -8.477   1.246  -6.793
   85    HE2  TYR  11           2HE      TYR  11  -5.800   4.113  -8.540
   86    HH   TYR  11           HH       TYR  11  -8.624   4.087  -7.523
   87    HA   PRO  12           HA       PRO  12   0.117  -2.420  -6.368
   88    HB2  PRO  12           2HB      PRO  12   0.101  -4.623  -8.212
   89    HB3  PRO  12           1HB      PRO  12  -0.195  -4.684  -6.465
   90    HG2  PRO  12           2HG      PRO  12  -2.086  -5.265  -8.355
   91    HG3  PRO  12           1HG      PRO  12  -2.455  -4.689  -6.720
   92    HD2  PRO  12           2HD      PRO  12  -2.299  -3.074  -9.273
   93    HD3  PRO  12           1HD      PRO  12  -3.554  -3.044  -8.013
   94    H    VAL  13           H        VAL  13   1.748  -1.183  -7.224
   95    HA   VAL  13           HA       VAL  13   2.207  -1.317 -10.141
   96    HB   VAL  13           HB       VAL  13   2.524   1.224  -8.560
   97   HG11  VAL  13          1HG1      VAL  13   2.139   0.647 -11.511
   98   HG12  VAL  13          2HG1      VAL  13   3.678   1.034 -10.739
   99   HG13  VAL  13          3HG1      VAL  13   2.390   2.238 -10.794
  100   HG21  VAL  13          3HG2      VAL  13   0.305   1.860  -9.642
  101   HG22  VAL  13          1HG2      VAL  13   0.201   0.708  -8.311
  102   HG23  VAL  13          2HG2      VAL  13   0.080   0.143  -9.978
  103    H    SER  14           H        SER  14   4.315  -1.354 -10.791
  104    HA   SER  14           HA       SER  14   6.333  -2.206  -9.063
  105    HB2  SER  14           2HB      SER  14   7.880  -1.730 -10.879
  106    HB3  SER  14           1HB      SER  14   6.395  -2.399 -11.550
  107    HG   SER  14           HG       SER  14   7.006   0.369 -11.321
  108    H    LYS  15           H        LYS  15   5.256   1.000  -9.960
  109    HA   LYS  15           HA       LYS  15   7.403   2.535  -8.998
  110    HB2  LYS  15           2HB      LYS  15   4.439   3.155  -9.089
  111    HB3  LYS  15           1HB      LYS  15   5.694   4.344  -8.741
  112    HG2  LYS  15           2HG      LYS  15   6.761   3.785 -10.938
  113    HG3  LYS  15           1HG      LYS  15   5.390   2.732 -11.290
  114    HD2  LYS  15           2HD      LYS  15   3.865   4.692 -10.994
  115    HD3  LYS  15           1HD      LYS  15   5.283   5.721 -10.786
  116    HE2  LYS  15           2HE      LYS  15   6.081   4.827 -13.049
  117    HE3  LYS  15           1HE      LYS  15   4.454   4.177 -13.249
  118    HZ1  LYS  15           3HZ      LYS  15   3.855   6.638 -12.533
  119    HZ2  LYS  15           1HZ      LYS  15   4.130   6.208 -14.151
  120    HZ3  LYS  15           2HZ      LYS  15   5.365   6.946 -13.248
  121    H    CYS  16           H        CYS  16   4.864   0.808  -7.365
  122    HA   CYS  16           HA       CYS  16   4.972   2.152  -4.869
  123    HB2  CYS  16           2HB      CYS  16   4.242  -0.740  -5.407
  124    HB3  CYS  16           1HB      CYS  16   3.809   0.208  -3.984
  125    H    GLN  17           H        GLN  17   7.015  -0.197  -6.399
  126    HA   GLN  17           HA       GLN  17   8.278  -1.525  -4.383
  127    HB2  GLN  17           2HB      GLN  17  10.245  -1.600  -5.756
  128    HB3  GLN  17           1HB      GLN  17   8.860  -1.582  -6.848
  129    HG2  GLN  17           2HG      GLN  17   9.137   0.969  -6.899
  130    HG3  GLN  17           1HG      GLN  17  10.711   0.700  -6.153
  131   HE21  GLN  17          1HE2      GLN  17  12.146   1.078  -7.881
  132   HE22  GLN  17          2HE2      GLN  17  12.068   0.270  -9.372
  133    H    LEU  18           H        LEU  18   8.119   1.860  -4.839
  134    HA   LEU  18           HA       LEU  18  10.354   2.376  -3.002
  135    HB2  LEU  18           2HB      LEU  18   8.607   4.314  -4.543
  136    HB3  LEU  18           1HB      LEU  18  10.035   4.732  -3.596
  137    HG   LEU  18           HG       LEU  18  10.013   2.884  -6.000
  138   HD11  LEU  18          1HD1      LEU  18  11.278   5.622  -5.761
  139   HD12  LEU  18          2HD1      LEU  18   9.646   5.392  -6.390
  140   HD13  LEU  18          3HD1      LEU  18  11.022   4.668  -7.222
  141   HD21  LEU  18          3HD2      LEU  18  11.822   2.154  -4.719
  142   HD22  LEU  18          1HD2      LEU  18  12.096   3.747  -4.014
  143   HD23  LEU  18          2HD2      LEU  18  12.579   3.425  -5.680
  144    H    ALA  19           H        ALA  19   9.738   2.050  -0.934
  145    HA   ALA  19           HA       ALA  19   7.255   2.128   0.205
  146    HB1  ALA  19           1HB      ALA  19   9.258   1.439   1.433
  147    HB2  ALA  19           2HB      ALA  19   8.370   2.664   2.340
  148    HB3  ALA  19           3HB      ALA  19   9.831   3.107   1.457
  149    H    ASN  20           H        ASN  20   9.011   4.771  -1.082
  150    HA   ASN  20           HA       ASN  20   7.679   6.830   0.448
  151    HB2  ASN  20           2HB      ASN  20   9.336   6.946  -2.084
  152    HB3  ASN  20           1HB      ASN  20   8.730   8.359  -1.222
  153   HD21  ASN  20          1HD2      ASN  20  11.577   7.094  -1.635
  154   HD22  ASN  20          2HD2      ASN  20  12.222   7.108  -0.065
  155    H    GLN  21           H        GLN  21   7.483   5.582  -2.878
  156    HA   GLN  21           HA       GLN  21   5.351   7.204  -3.752
  157    HB2  GLN  21           2HB      GLN  21   6.253   4.439  -4.590
  158    HB3  GLN  21           1HB      GLN  21   4.987   5.342  -5.423
  159    HG2  GLN  21           2HG      GLN  21   7.754   6.464  -4.939
  160    HG3  GLN  21           1HG      GLN  21   7.320   5.587  -6.405
  161   HE21  GLN  21          1HE2      GLN  21   7.985   8.549  -5.937
  162   HE22  GLN  21          2HE2      GLN  21   6.676   9.378  -6.630
  163    H    CYS  22           H        CYS  22   5.435   4.094  -2.089
  164    HA   CYS  22           HA       CYS  22   2.806   3.276  -2.311
  165    HB2  CYS  22           2HB      CYS  22   4.699   3.014   0.030
  166    HB3  CYS  22           1HB      CYS  22   3.169   2.146  -0.109
  167    H    ASN  23           H        ASN  23   4.128   5.120   0.455
  168    HA   ASN  23           HA       ASN  23   1.565   5.580   1.594
  169    HB2  ASN  23           2HB      ASN  23   2.683   6.853   3.232
  170    HB3  ASN  23           1HB      ASN  23   3.831   5.601   2.767
  171   HD21  ASN  23          1HD2      ASN  23   4.035   8.628   3.686
  172   HD22  ASN  23          2HD2      ASN  23   5.177   9.255   2.598
  173    H    TYR  24           H        TYR  24   3.705   7.616  -0.386
  174    HA   TYR  24           HA       TYR  24   2.130   9.962  -0.251
  175    HB2  TYR  24           2HB      TYR  24   4.341   8.958  -1.945
  176    HB3  TYR  24           1HB      TYR  24   3.334  10.226  -2.645
  177    HD1  TYR  24           2HD      TYR  24   3.203  12.448  -1.633
  178    HD2  TYR  24           1HD      TYR  24   5.674   9.371   0.065
  179    HE1  TYR  24           2HE      TYR  24   4.353  14.143  -0.234
  180    HE2  TYR  24           1HE      TYR  24   6.823  11.066   1.464
  181    HH   TYR  24           HH       TYR  24   5.715  13.894   2.206
  182    H    ASP  25           H        ASP  25   2.334   7.460  -2.786
  183    HA   ASP  25           HA       ASP  25   0.280   8.515  -4.410
  184    HB2  ASP  25           2HB      ASP  25   1.255   5.666  -4.144
  185    HB3  ASP  25           1HB      ASP  25   0.255   6.280  -5.459
  186    H    CYS  26           H        CYS  26   0.210   5.972  -1.913
  187    HA   CYS  26           HA       CYS  26  -2.491   5.271  -2.164
  188    HB2  CYS  26           2HB      CYS  26  -0.623   5.238   0.210
  189    HB3  CYS  26           1HB      CYS  26  -2.261   4.586   0.274
  190    H    LYS  27           H        LYS  27  -0.944   7.754  -0.139
  191    HA   LYS  27           HA       LYS  27  -3.206   8.689   1.205
  192    HB2  LYS  27           2HB      LYS  27  -0.653  10.008   0.313
  193    HB3  LYS  27           1HB      LYS  27  -1.908  10.935   1.133
  194    HG2  LYS  27           2HG      LYS  27  -1.745   9.636   3.101
  195    HG3  LYS  27           1HG      LYS  27  -0.891   8.334   2.273
  196    HD2  LYS  27           2HD      LYS  27   1.061   9.804   1.954
  197    HD3  LYS  27           1HD      LYS  27   0.209  11.118   2.768
  198    HE2  LYS  27           2HE      LYS  27   0.181   9.935   4.848
  199    HE3  LYS  27           1HE      LYS  27   0.704   8.437   4.079
  200    HZ1  LYS  27           3HZ      LYS  27   2.756   9.065   4.597
  201    HZ2  LYS  27           1HZ      LYS  27   2.267  10.634   5.017
  202    HZ3  LYS  27           2HZ      LYS  27   2.619  10.260   3.397
  203    H    LEU  28           H        LEU  28  -1.916   9.526  -1.978
  204    HA   LEU  28           HA       LEU  28  -3.857  11.534  -2.573
  205    HB2  LEU  28           2HB      LEU  28  -2.065   9.888  -4.375
  206    HB3  LEU  28           1HB      LEU  28  -3.030  11.265  -4.904
  207    HG   LEU  28           HG       LEU  28  -1.003  11.441  -2.662
  208   HD11  LEU  28          1HD1      LEU  28   0.123  10.824  -4.772
  209   HD12  LEU  28          2HD1      LEU  28   0.492  12.490  -4.325
  210   HD13  LEU  28          3HD1      LEU  28  -0.686  12.158  -5.594
  211   HD21  LEU  28          3HD2      LEU  28  -2.725  13.367  -4.207
  212   HD22  LEU  28          1HD2      LEU  28  -1.194  13.919  -3.528
  213   HD23  LEU  28          2HD2      LEU  28  -2.447  13.275  -2.468
  214    H    ASP  29           H        ASP  29  -3.629   8.062  -3.182
  215    HA   ASP  29           HA       ASP  29  -6.133   8.118  -4.699
  216    HB2  ASP  29           2HB      ASP  29  -4.100   5.946  -4.197
  217    HB3  ASP  29           1HB      ASP  29  -5.589   5.706  -5.110
  218    H    LYS  30           H        LYS  30  -4.812   6.030  -2.098
  219    HA   LYS  30           HA       LYS  30  -7.563   5.352  -1.366
  220    HB2  LYS  30           2HB      LYS  30  -4.996   4.173  -0.300
  221    HB3  LYS  30           1HB      LYS  30  -6.621   3.491  -0.190
  222    HG2  LYS  30           2HG      LYS  30  -5.062   3.974  -2.748
  223    HG3  LYS  30           1HG      LYS  30  -5.383   2.405  -2.008
  224    HD2  LYS  30           2HD      LYS  30  -7.867   2.977  -2.204
  225    HD3  LYS  30           1HD      LYS  30  -7.377   4.313  -3.245
  226    HE2  LYS  30           2HE      LYS  30  -6.485   2.865  -4.884
  227    HE3  LYS  30           1HE      LYS  30  -6.430   1.499  -3.771
  228    HZ1  LYS  30           3HZ      LYS  30  -8.695   2.612  -5.242
  229    HZ2  LYS  30           1HZ      LYS  30  -9.004   1.982  -3.698
  230    HZ3  LYS  30           2HZ      LYS  30  -8.315   0.993  -4.895
  231    H    HIS  31           H        HIS  31  -5.654   7.804  -0.491
  232    HA   HIS  31           HA       HIS  31  -5.479   9.142   1.378
  233    HB2  HIS  31           2HB      HIS  31  -8.076   7.789   2.139
  234    HB3  HIS  31           1HB      HIS  31  -7.499   9.364   2.685
  235    HD2  HIS  31           2HD      HIS  31  -7.084  11.195   0.287
  236    HE1  HIS  31           1HE      HIS  31 -10.278   9.356  -1.772
  237    HE2  HIS  31           2HE      HIS  31  -8.749  11.383  -1.716
  238    H    ALA  32           H        ALA  32  -4.342   6.373   1.511
  239    HA   ALA  32           HA       ALA  32  -4.731   5.326   4.124
  240    HB1  ALA  32           1HB      ALA  32  -3.647   4.182   2.084
  241    HB2  ALA  32           2HB      ALA  32  -2.911   3.896   3.662
  242    HB3  ALA  32           3HB      ALA  32  -2.179   5.047   2.544
  243    H    ARG  33           H        ARG  33  -3.341   5.487   5.963
  244    HA   ARG  33           HA       ARG  33  -2.352   8.155   6.388
  245    HB2  ARG  33           2HB      ARG  33  -2.248   5.682   8.125
  246    HB3  ARG  33           1HB      ARG  33  -1.739   7.291   8.640
  247    HG2  ARG  33           2HG      ARG  33  -4.059   8.106   7.976
  248    HG3  ARG  33           1HG      ARG  33  -4.515   6.409   7.822
  249    HD2  ARG  33           2HD      ARG  33  -3.727   6.057  10.185
  250    HD3  ARG  33           1HD      ARG  33  -3.497   7.799  10.313
  251    HE   ARG  33           HE       ARG  33  -6.155   6.951   9.474
  252   HH11  ARG  33          1HH2      ARG  33  -4.006   7.826  12.041
  253   HH12  ARG  33          2HH2      ARG  33  -5.273   8.267  13.137
  254   HH21  ARG  33          1HH1      ARG  33  -7.822   7.528  10.906
  255   HH22  ARG  33          2HH1      ARG  33  -7.433   8.099  12.494
  256    H    SER  34           H        SER  34  -0.869   4.950   6.044
  257    HA   SER  34           HA       SER  34   1.735   6.301   5.677
  258    HB2  SER  34           2HB      SER  34   0.981   4.477   7.730
  259    HB3  SER  34           1HB      SER  34   2.153   3.678   6.686
  260    HG   SER  34           HG       SER  34   2.508   6.329   7.600
  261    H    GLY  35           H        GLY  35  -0.591   4.402   4.261
  262    HA2  GLY  35           2HA      GLY  35  -0.534   2.696   2.653
  263    HA3  GLY  35           1HA      GLY  35   0.439   3.926   1.852
  264    H    GLU  36           H        GLU  36   0.428   0.822   3.303
  265    HA   GLU  36           HA       GLU  36   3.368   0.641   3.012
  266    HB2  GLU  36           2HB      GLU  36   1.527  -0.907   4.852
  267    HB3  GLU  36           1HB      GLU  36   3.251  -1.226   4.656
  268    HG2  GLU  36           2HG      GLU  36   2.095   1.441   5.521
  269    HG3  GLU  36           1HG      GLU  36   2.732   0.229   6.631
  270    H    CYS  37           H        CYS  37   4.110  -0.729   1.517
  271    HA   CYS  37           HA       CYS  37   2.174  -2.515   0.194
  272    HB2  CYS  37           2HB      CYS  37   4.685  -1.139  -0.694
  273    HB3  CYS  37           1HB      CYS  37   4.113  -2.573  -1.546
  274    H    PHE  38           H        PHE  38   2.531  -4.677  -0.034
  275    HA   PHE  38           HA       PHE  38   4.979  -5.787   1.196
  276    HB2  PHE  38           2HB      PHE  38   2.156  -6.842   1.500
  277    HB3  PHE  38           1HB      PHE  38   3.612  -7.633   2.103
  278    HD1  PHE  38           1HD      PHE  38   1.492  -4.599   2.402
  279    HD2  PHE  38           2HD      PHE  38   4.699  -6.896   4.101
  280    HE1  PHE  38           1HE      PHE  38   1.401  -3.209   4.453
  281    HE2  PHE  38           2HE      PHE  38   4.609  -5.506   6.153
  282    HZ   PHE  38           HZ       PHE  38   2.960  -3.662   6.329
  283    H    TYR  39           H        TYR  39   5.494  -7.978   0.450
  284    HA   TYR  39           HA       TYR  39   4.884  -8.254  -2.403
  285    HB2  TYR  39           2HB      TYR  39   6.899  -9.710  -0.671
  286    HB3  TYR  39           1HB      TYR  39   6.752  -9.850  -2.423
  287    HD1  TYR  39           1HD      TYR  39   7.225  -7.297   0.277
  288    HD2  TYR  39           2HD      TYR  39   7.946  -8.390  -3.813
  289    HE1  TYR  39           1HE      TYR  39   8.659  -5.294  -0.004
  290    HE2  TYR  39           2HE      TYR  39   9.381  -6.387  -4.095
  291    HH   TYR  39           HH       TYR  39  10.149  -4.277  -1.352
  292    H    ASP  40           H        ASP  40   3.470  -9.701  -3.139
  293    HA   ASP  40           HA       ASP  40   2.435 -11.731  -1.279
  294    HB2  ASP  40           2HB      ASP  40   0.527 -11.883  -2.744
  295    HB3  ASP  40           1HB      ASP  40   0.847 -10.177  -2.440
  296    H    GLU  41           H        GLU  41   1.483 -13.642  -2.911
  297    HA   GLU  41           HA       GLU  41   3.802 -15.154  -3.566
  298    HB2  GLU  41           2HB      GLU  41   0.883 -15.619  -4.215
  299    HB3  GLU  41           1HB      GLU  41   2.166 -16.802  -4.468
  300    HG2  GLU  41           2HG      GLU  41   1.251 -17.359  -2.352
  301    HG3  GLU  41           1HG      GLU  41   2.728 -16.471  -1.980
  302    H    LYS  42           H        LYS  42   1.610 -13.140  -5.407
  303    HA   LYS  42           HA       LYS  42   2.464 -14.041  -7.993
  304    HB2  LYS  42           2HB      LYS  42   1.141 -11.421  -7.252
  305    HB3  LYS  42           1HB      LYS  42   1.193 -12.166  -8.851
  306    HG2  LYS  42           2HG      LYS  42  -0.056 -14.122  -7.949
  307    HG3  LYS  42           1HG      LYS  42  -0.173 -13.300  -6.392
  308    HD2  LYS  42           2HD      LYS  42  -1.307 -11.386  -7.568
  309    HD3  LYS  42           1HD      LYS  42  -1.336 -12.371  -9.031
  310    HE2  LYS  42           2HE      LYS  42  -3.470 -12.583  -7.844
  311    HE3  LYS  42           1HE      LYS  42  -2.605 -14.119  -7.804
  312    HZ1  LYS  42           3HZ      LYS  42  -2.068 -12.275  -5.620
  313    HZ2  LYS  42           1HZ      LYS  42  -2.237 -13.963  -5.600
  314    HZ3  LYS  42           2HZ      LYS  42  -3.617 -12.974  -5.644
  315    H    ARG  43           H        ARG  43   4.195 -12.577  -5.685
  316    HA   ARG  43           HA       ARG  43   6.146 -11.369  -5.655
  317    HB2  ARG  43           2HB      ARG  43   6.231 -11.676  -8.656
  318    HB3  ARG  43           1HB      ARG  43   7.584 -11.518  -7.536
  319    HG2  ARG  43           2HG      ARG  43   5.682 -13.872  -7.749
  320    HG3  ARG  43           1HG      ARG  43   7.387 -13.852  -8.202
  321    HD2  ARG  43           2HD      ARG  43   6.157 -13.809  -5.465
  322    HD3  ARG  43           1HD      ARG  43   7.483 -14.796  -6.072
  323    HE   ARG  43           HE       ARG  43   7.672 -12.083  -5.032
  324   HH11  ARG  43          1HH2      ARG  43   9.102 -14.644  -6.868
  325   HH12  ARG  43          2HH2      ARG  43  10.723 -14.065  -6.673
  326   HH21  ARG  43          1HH1      ARG  43   9.796 -11.318  -4.771
  327   HH22  ARG  43          2HH1      ARG  43  11.116 -12.182  -5.487
  328    H    ASN  44           H        ASN  44   3.419 -10.173  -6.372
  329    HA   ASN  44           HA       ASN  44   4.338  -7.691  -7.670
  330    HB2  ASN  44           2HB      ASN  44   2.239  -7.429  -8.507
  331    HB3  ASN  44           1HB      ASN  44   2.130  -9.166  -8.223
  332   HD21  ASN  44          1HD2      ASN  44   0.128  -6.746  -7.954
  333   HD22  ASN  44          2HD2      ASN  44  -0.588  -7.027  -6.441
  334    H    LEU  45           H        LEU  45   3.735  -5.653  -6.734
  335    HA   LEU  45           HA       LEU  45   3.934  -5.701  -3.832
  336    HB2  LEU  45           2HB      LEU  45   3.781  -3.293  -5.655
  337    HB3  LEU  45           1HB      LEU  45   4.383  -3.348  -3.998
  338    HG   LEU  45           HG       LEU  45   5.607  -4.884  -6.308
  339   HD11  LEU  45          1HD1      LEU  45   6.109  -2.639  -6.799
  340   HD12  LEU  45          2HD1      LEU  45   7.496  -3.153  -5.838
  341   HD13  LEU  45          3HD1      LEU  45   6.215  -2.194  -5.096
  342   HD21  LEU  45          3HD2      LEU  45   6.169  -6.012  -4.313
  343   HD22  LEU  45          1HD2      LEU  45   6.272  -4.514  -3.389
  344   HD23  LEU  45          2HD2      LEU  45   7.531  -4.919  -4.556
  345    H    GLN  46           H        GLN  46   2.081  -6.043  -2.762
  346    HA   GLN  46           HA       GLN  46  -0.443  -4.991  -3.769
  347    HB2  GLN  46           2HB      GLN  46   0.223  -6.638  -1.316
  348    HB3  GLN  46           1HB      GLN  46  -1.409  -6.180  -1.807
  349    HG2  GLN  46           2HG      GLN  46   0.513  -7.721  -3.570
  350    HG3  GLN  46           1HG      GLN  46  -0.729  -8.477  -2.574
  351   HE21  GLN  46          1HE2      GLN  46  -0.887  -8.849  -5.341
  352   HE22  GLN  46          2HE2      GLN  46  -2.185  -7.952  -5.967
  353    H    CYS  47           H        CYS  47  -1.198  -3.057  -3.230
  354    HA   CYS  47           HA       CYS  47   0.100  -1.471  -1.188
  355    HB2  CYS  47           2HB      CYS  47  -2.307  -0.866  -2.924
  356    HB3  CYS  47           1HB      CYS  47  -1.445   0.299  -1.918
  357    H    ILE  48           H        ILE  48  -0.366  -1.921   0.882
  358    HA   ILE  48           HA       ILE  48  -3.176  -2.476   1.601
  359    HB   ILE  48           HB       ILE  48  -0.711  -3.018   3.267
  360   HG12  ILE  48          2HG1      ILE  48  -2.258  -4.830   1.386
  361   HG13  ILE  48          1HG1      ILE  48  -0.569  -4.345   1.226
  362   HG21  ILE  48          1HG2      ILE  48  -2.985  -2.799   4.375
  363   HG22  ILE  48          2HG2      ILE  48  -2.195  -4.360   4.601
  364   HG23  ILE  48          3HG2      ILE  48  -3.498  -4.194   3.425
  365   HD11  ILE  48          3HD1      ILE  48  -0.360  -6.442   2.229
  366   HD12  ILE  48          1HD1      ILE  48  -1.814  -6.232   3.203
  367   HD13  ILE  48          2HD1      ILE  48  -0.334  -5.373   3.631
  368    H    CYS  49           H        CYS  49  -4.094  -0.541   2.039
  369    HA   CYS  49           HA       CYS  49  -2.734   1.657   3.237
  370    HB2  CYS  49           2HB      CYS  49  -5.713   1.150   3.180
  371    HB3  CYS  49           1HB      CYS  49  -4.899   2.705   3.351
  372    H    ASP  50           H        ASP  50  -2.260   2.023   5.305
  373    HA   ASP  50           HA       ASP  50  -3.519   0.305   7.354
  374    HB2  ASP  50           2HB      ASP  50  -1.549   0.577   8.672
  375    HB3  ASP  50           1HB      ASP  50  -1.004   0.223   7.031
  376    H    TYR  51           H        TYR  51  -4.543   1.186   9.091
  377    HA   TYR  51           HA       TYR  51  -4.673   4.140   9.197
  378    HB2  TYR  51           2HB      TYR  51  -6.704   2.072  10.080
  379    HB3  TYR  51           1HB      TYR  51  -6.837   3.798  10.411
  380    HD1  TYR  51           1HD      TYR  51  -6.239   1.458   7.544
  381    HD2  TYR  51           2HD      TYR  51  -7.975   5.148   8.890
  382    HE1  TYR  51           1HE      TYR  51  -7.228   1.811   5.299
  383    HE2  TYR  51           2HE      TYR  51  -8.964   5.504   6.644
  384    HH   TYR  51           HH       TYR  51  -8.209   3.354   3.947
  385    H    CYS  52           H        CYS  52  -2.953   4.509  10.576
  386    HA   CYS  52           HA       CYS  52  -2.060   4.900  12.664
  387    HB2  CYS  52           2HB      CYS  52  -4.229   3.274  13.944
  388    HB3  CYS  52           1HB      CYS  52  -3.398   4.705  14.557
  389    H    GLU  53           H        GLU  53  -3.577   1.692  13.081
  390    HA   GLU  53           HA       GLU  53  -1.238   0.600  14.298
  391    HB2  GLU  53           2HB      GLU  53  -3.724  -0.723  13.192
  392    HB3  GLU  53           1HB      GLU  53  -2.468  -1.568  14.098
  393    HG2  GLU  53           2HG      GLU  53  -4.086  -0.999  15.732
  394    HG3  GLU  53           1HG      GLU  53  -2.827   0.219  15.918
  395    H    TYR  54           H        TYR  54   0.292  -0.802  13.496
  396    HA   TYR  54           HA       TYR  54   0.193  -1.842  10.822
  397    HB2  TYR  54           2HB      TYR  54   1.927  -0.559   9.812
  398    HB3  TYR  54           1HB      TYR  54   0.803   0.611  10.505
  399    HD1  TYR  54           2HD      TYR  54   1.381   1.891  12.507
  400    HD2  TYR  54           1HD      TYR  54   4.121  -0.953  10.818
  401    HE1  TYR  54           2HE      TYR  54   3.211   2.833  13.890
  402    HE2  TYR  54           1HE      TYR  54   5.952  -0.010  12.201
  403    HH   TYR  54           HH       TYR  54   6.300   2.495  13.325
  Start of MODEL    2
    1    H1   ASP   2           H        ASP   2  -8.349  -6.047  13.906
    2    HA   ASP   2           HA       ASP   2  -6.975  -4.591  12.715
    3    HB2  ASP   2           2HB      ASP   2  -6.724  -7.199  11.207
    4    HB3  ASP   2           1HB      ASP   2  -5.644  -5.825  10.980
    5    H    LYS   3           H        LYS   3  -9.744  -4.416  11.929
    6    HA   LYS   3           HA       LYS   3 -10.100  -4.440   9.132
    7    HB2  LYS   3           2HB      LYS   3 -11.990  -2.889   9.586
    8    HB3  LYS   3           1HB      LYS   3 -11.999  -4.297  10.647
    9    HG2  LYS   3           2HG      LYS   3 -10.939  -2.989  12.432
   10    HG3  LYS   3           1HG      LYS   3 -10.860  -1.581  11.371
   11    HD2  LYS   3           2HD      LYS   3 -12.816  -1.148  12.565
   12    HD3  LYS   3           1HD      LYS   3 -13.451  -1.969  11.139
   13    HE2  LYS   3           2HE      LYS   3 -14.431  -2.888  13.219
   14    HE3  LYS   3           1HE      LYS   3 -13.482  -4.103  12.360
   15    HZ1  LYS   3           3HZ      LYS   3 -12.273  -4.348  14.180
   16    HZ2  LYS   3           1HZ      LYS   3 -13.118  -3.107  14.968
   17    HZ3  LYS   3           2HZ      LYS   3 -11.742  -2.741  14.041
   18    H    CYS   4           H        CYS   4  -8.512  -2.201  11.261
   19    HA   CYS   4           HA       CYS   4  -8.585   0.172   9.836
   20    HB2  CYS   4           2HB      CYS   4  -6.061  -0.834  11.137
   21    HB3  CYS   4           1HB      CYS   4  -6.660   0.822  11.035
   22    H    LYS   5           H        LYS   5  -6.968  -2.799   9.069
   23    HA   LYS   5           HA       LYS   5  -5.370  -1.514   6.967
   24    HB2  LYS   5           2HB      LYS   5  -5.420  -4.387   7.916
   25    HB3  LYS   5           1HB      LYS   5  -4.312  -3.719   6.720
   26    HG2  LYS   5           2HG      LYS   5  -4.514  -2.415   9.415
   27    HG3  LYS   5           1HG      LYS   5  -3.567  -3.892   9.240
   28    HD2  LYS   5           2HD      LYS   5  -3.147  -1.717   7.232
   29    HD3  LYS   5           1HD      LYS   5  -2.466  -1.500   8.845
   30    HE2  LYS   5           2HE      LYS   5  -1.184  -3.519   8.673
   31    HE3  LYS   5           1HE      LYS   5  -2.042  -4.013   7.213
   32    HZ1  LYS   5           3HZ      LYS   5  -0.701  -2.790   5.957
   33    HZ2  LYS   5           1HZ      LYS   5   0.295  -2.602   7.317
   34    HZ3  LYS   5           2HZ      LYS   5  -0.873  -1.423   6.948
   35    H    LYS   6           H        LYS   6  -5.802  -1.696   4.845
   36    HA   LYS   6           HA       LYS   6  -7.772  -3.676   3.937
   37    HB2  LYS   6           2HB      LYS   6  -7.943  -0.704   3.355
   38    HB3  LYS   6           1HB      LYS   6  -8.917  -1.945   2.565
   39    HG2  LYS   6           2HG      LYS   6  -9.642  -2.661   4.916
   40    HG3  LYS   6           1HG      LYS   6  -8.935  -1.148   5.480
   41    HD2  LYS   6           2HD      LYS   6 -11.076  -1.375   3.345
   42    HD3  LYS   6           1HD      LYS   6 -11.365  -0.916   5.025
   43    HE2  LYS   6           2HE      LYS   6 -11.180   1.163   3.950
   44    HE3  LYS   6           1HE      LYS   6  -9.555   0.911   4.586
   45    HZ1  LYS   6           3HZ      LYS   6  -8.785   1.024   2.531
   46    HZ2  LYS   6           1HZ      LYS   6 -10.352   1.227   1.916
   47    HZ3  LYS   6           2HZ      LYS   6  -9.706  -0.335   2.094
   48    H    VAL   7           H        VAL   7  -6.949  -4.732   2.262
   49    HA   VAL   7           HA       VAL   7  -4.589  -3.707   0.915
   50    HB   VAL   7           HB       VAL   7  -6.085  -6.288   0.430
   51   HG11  VAL   7          1HG1      VAL   7  -4.577  -5.764  -1.380
   52   HG12  VAL   7          2HG1      VAL   7  -3.795  -6.988  -0.381
   53   HG13  VAL   7          3HG1      VAL   7  -3.303  -5.299  -0.253
   54   HG21  VAL   7          3HG2      VAL   7  -4.202  -7.214   1.890
   55   HG22  VAL   7          1HG2      VAL   7  -5.443  -6.291   2.737
   56   HG23  VAL   7          2HG2      VAL   7  -3.885  -5.549   2.374
   57    H    TYR   8           H        TYR   8  -4.522  -2.769  -1.018
   58    HA   TYR   8           HA       TYR   8  -7.007  -2.681  -2.611
   59    HB2  TYR   8           2HB      TYR   8  -4.721  -0.763  -2.258
   60    HB3  TYR   8           1HB      TYR   8  -5.708  -0.705  -3.719
   61    HD1  TYR   8           2HD      TYR   8  -8.084  -0.117  -3.622
   62    HD2  TYR   8           1HD      TYR   8  -5.670  -0.226  -0.071
   63    HE1  TYR   8           2HE      TYR   8  -9.850   1.108  -2.384
   64    HE2  TYR   8           1HE      TYR   8  -7.435   0.999   1.167
   65    HH   TYR   8           HH       TYR   8  -9.437   1.937   1.063
   66    H    GLU   9           H        GLU   9  -6.404  -4.846  -3.422
   67    HA   GLU   9           HA       GLU   9  -4.077  -5.318  -4.949
   68    HB2  GLU   9           2HB      GLU   9  -6.815  -6.581  -5.227
   69    HB3  GLU   9           1HB      GLU   9  -5.306  -7.229  -5.871
   70    HG2  GLU   9           2HG      GLU   9  -5.472  -8.390  -3.859
   71    HG3  GLU   9           1HG      GLU   9  -4.483  -7.011  -3.383
   72    H    ASN  10           H        ASN  10  -6.649  -3.249  -5.523
   73    HA   ASN  10           HA       ASN  10  -6.530  -3.470  -8.437
   74    HB2  ASN  10           2HB      ASN  10  -8.042  -1.333  -6.974
   75    HB3  ASN  10           1HB      ASN  10  -8.428  -2.125  -8.500
   76   HD21  ASN  10          1HD2      ASN  10  -9.931  -1.877  -5.780
   77   HD22  ASN  10          2HD2      ASN  10 -10.395  -3.474  -5.449
   78    H    TYR  11           H        TYR  11  -4.309  -2.474  -6.537
   79    HA   TYR  11           HA       TYR  11  -3.574  -0.241  -8.248
   80    HB2  TYR  11           2HB      TYR  11  -4.082   0.073  -5.296
   81    HB3  TYR  11           1HB      TYR  11  -3.014   1.165  -6.180
   82    HD1  TYR  11           1HD      TYR  11  -6.487  -0.040  -5.825
   83    HD2  TYR  11           2HD      TYR  11  -3.881   2.715  -7.842
   84    HE1  TYR  11           1HE      TYR  11  -8.459   1.210  -6.664
   85    HE2  TYR  11           2HE      TYR  11  -5.853   3.967  -8.680
   86    HH   TYR  11           HH       TYR  11  -8.222   4.301  -8.045
   87    HA   PRO  12           HA       PRO  12   0.137  -2.494  -6.459
   88    HB2  PRO  12           2HB      PRO  12   0.049  -4.708  -8.304
   89    HB3  PRO  12           1HB      PRO  12  -0.143  -4.763  -6.543
   90    HG2  PRO  12           2HG      PRO  12  -2.141  -5.375  -8.291
   91    HG3  PRO  12           1HG      PRO  12  -2.419  -4.743  -6.660
   92    HD2  PRO  12           2HD      PRO  12  -2.391  -3.209  -9.267
   93    HD3  PRO  12           1HD      PRO  12  -3.590  -3.145  -7.955
   94    H    VAL  13           H        VAL  13   1.749  -1.268  -7.367
   95    HA   VAL  13           HA       VAL  13   2.121  -1.412 -10.297
   96    HB   VAL  13           HB       VAL  13   2.475   1.133  -8.725
   97   HG11  VAL  13          1HG1      VAL  13   3.601   1.024 -10.889
   98   HG12  VAL  13          2HG1      VAL  13   2.223   2.120 -10.999
   99   HG13  VAL  13          3HG1      VAL  13   2.111   0.491 -11.665
  100   HG21  VAL  13          3HG2      VAL  13   0.247   1.794  -9.669
  101   HG22  VAL  13          1HG2      VAL  13   0.143   0.512  -8.464
  102   HG23  VAL  13          2HG2      VAL  13   0.014   0.122 -10.179
  103    H    SER  14           H        SER  14   4.218  -1.381 -11.020
  104    HA   SER  14           HA       SER  14   6.286  -2.292  -9.401
  105    HB2  SER  14           2HB      SER  14   6.590  -0.584 -11.884
  106    HB3  SER  14           1HB      SER  14   7.788  -1.685 -11.211
  107    HG   SER  14           HG       SER  14   6.471  -3.398 -11.718
  108    H    LYS  15           H        LYS  15   5.194   0.963 -10.107
  109    HA   LYS  15           HA       LYS  15   7.350   2.433  -9.065
  110    HB2  LYS  15           2HB      LYS  15   4.391   3.065  -9.167
  111    HB3  LYS  15           1HB      LYS  15   5.630   4.231  -8.701
  112    HG2  LYS  15           2HG      LYS  15   6.772   3.672 -10.930
  113    HG3  LYS  15           1HG      LYS  15   5.264   2.873 -11.376
  114    HD2  LYS  15           2HD      LYS  15   5.318   5.719 -10.362
  115    HD3  LYS  15           1HD      LYS  15   5.513   5.337 -12.073
  116    HE2  LYS  15           2HE      LYS  15   3.154   4.555 -10.333
  117    HE3  LYS  15           1HE      LYS  15   3.154   5.803 -11.579
  118    HZ1  LYS  15           3HZ      LYS  15   3.789   4.044 -13.186
  119    HZ2  LYS  15           1HZ      LYS  15   2.250   3.824 -12.508
  120    HZ3  LYS  15           2HZ      LYS  15   3.560   2.889 -11.962
  121    H    CYS  16           H        CYS  16   4.783   0.652  -7.533
  122    HA   CYS  16           HA       CYS  16   4.865   1.851  -4.973
  123    HB2  CYS  16           2HB      CYS  16   4.219  -1.033  -5.639
  124    HB3  CYS  16           1HB      CYS  16   3.731  -0.144  -4.195
  125    H    GLN  17           H        GLN  17   6.972  -0.373  -6.601
  126    HA   GLN  17           HA       GLN  17   8.250  -1.748  -4.610
  127    HB2  GLN  17           2HB      GLN  17  10.207  -1.780  -5.998
  128    HB3  GLN  17           1HB      GLN  17   8.815  -1.754  -7.081
  129    HG2  GLN  17           2HG      GLN  17   9.071   0.803  -7.079
  130    HG3  GLN  17           1HG      GLN  17  10.655   0.527  -6.357
  131   HE21  GLN  17          1HE2      GLN  17  12.002   1.048  -8.142
  132   HE22  GLN  17          2HE2      GLN  17  11.938   0.229  -9.629
  133    H    LEU  18           H        LEU  18   7.986   1.626  -4.938
  134    HA   LEU  18           HA       LEU  18  10.244   2.131  -3.114
  135    HB2  LEU  18           2HB      LEU  18   8.509   4.087  -4.647
  136    HB3  LEU  18           1HB      LEU  18   9.928   4.494  -3.682
  137    HG   LEU  18           HG       LEU  18   9.925   2.682  -6.114
  138   HD11  LEU  18          1HD1      LEU  18  11.157   5.430  -5.785
  139   HD12  LEU  18          2HD1      LEU  18   9.573   5.167  -6.513
  140   HD13  LEU  18          3HD1      LEU  18  11.015   4.489  -7.268
  141   HD21  LEU  18          3HD2      LEU  18  11.714   1.917  -4.824
  142   HD22  LEU  18          1HD2      LEU  18  11.992   3.497  -4.091
  143   HD23  LEU  18          2HD2      LEU  18  12.491   3.198  -5.756
  144    H    ALA  19           H        ALA  19   9.576   1.727  -1.067
  145    HA   ALA  19           HA       ALA  19   7.071   1.849   0.032
  146    HB1  ALA  19           1HB      ALA  19   8.155   2.220   2.201
  147    HB2  ALA  19           2HB      ALA  19   9.641   2.702   1.384
  148    HB3  ALA  19           3HB      ALA  19   9.058   1.044   1.245
  149    H    ASN  20           H        ASN  20   8.889   4.452  -1.195
  150    HA   ASN  20           HA       ASN  20   7.657   6.513   0.422
  151    HB2  ASN  20           2HB      ASN  20   9.316   6.649  -2.107
  152    HB3  ASN  20           1HB      ASN  20   8.766   8.055  -1.198
  153   HD21  ASN  20          1HD2      ASN  20  11.560   6.682  -1.658
  154   HD22  ASN  20          2HD2      ASN  20  12.206   6.624  -0.089
  155    H    GLN  21           H        GLN  21   7.399   5.366  -2.932
  156    HA   GLN  21           HA       GLN  21   5.333   7.101  -3.752
  157    HB2  GLN  21           2HB      GLN  21   6.103   4.324  -4.679
  158    HB3  GLN  21           1HB      GLN  21   4.900   5.328  -5.488
  159    HG2  GLN  21           2HG      GLN  21   7.723   6.268  -4.945
  160    HG3  GLN  21           1HG      GLN  21   7.252   5.470  -6.444
  161   HE21  GLN  21          1HE2      GLN  21   8.090   8.366  -5.882
  162   HE22  GLN  21          2HE2      GLN  21   6.836   9.296  -6.548
  163    H    CYS  22           H        CYS  22   5.305   3.955  -2.164
  164    HA   CYS  22           HA       CYS  22   2.634   3.258  -2.405
  165    HB2  CYS  22           2HB      CYS  22   4.308   2.828   0.073
  166    HB3  CYS  22           1HB      CYS  22   2.960   1.842  -0.499
  167    H    ASN  23           H        ASN  23   4.082   4.926   0.409
  168    HA   ASN  23           HA       ASN  23   1.573   5.442   1.629
  169    HB2  ASN  23           2HB      ASN  23   2.777   6.632   3.270
  170    HB3  ASN  23           1HB      ASN  23   3.868   5.354   2.738
  171   HD21  ASN  23          1HD2      ASN  23   4.197   8.350   3.730
  172   HD22  ASN  23          2HD2      ASN  23   5.333   8.965   2.629
  173    H    TYR  24           H        TYR  24   3.711   7.462  -0.364
  174    HA   TYR  24           HA       TYR  24   2.206   9.850  -0.112
  175    HB2  TYR  24           2HB      TYR  24   4.358   8.846  -1.880
  176    HB3  TYR  24           1HB      TYR  24   3.369  10.158  -2.522
  177    HD1  TYR  24           2HD      TYR  24   3.315  12.351  -1.441
  178    HD2  TYR  24           1HD      TYR  24   5.738   9.163   0.115
  179    HE1  TYR  24           2HE      TYR  24   4.533  13.974  -0.016
  180    HE2  TYR  24           1HE      TYR  24   6.957  10.787   1.540
  181    HH   TYR  24           HH       TYR  24   6.674  12.970   2.494
  182    H    ASP  25           H        ASP  25   2.304   7.438  -2.739
  183    HA   ASP  25           HA       ASP  25   0.250   8.590  -4.288
  184    HB2  ASP  25           2HB      ASP  25   1.137   5.705  -4.115
  185    HB3  ASP  25           1HB      ASP  25   0.137   6.387  -5.396
  186    H    CYS  26           H        CYS  26   0.147   6.014  -1.829
  187    HA   CYS  26           HA       CYS  26  -2.568   5.371  -2.053
  188    HB2  CYS  26           2HB      CYS  26  -0.661   5.284   0.286
  189    HB3  CYS  26           1HB      CYS  26  -2.321   4.697   0.397
  190    H    LYS  27           H        LYS  27  -0.951   7.844  -0.077
  191    HA   LYS  27           HA       LYS  27  -3.184   8.812   1.304
  192    HB2  LYS  27           2HB      LYS  27  -0.623  10.098   0.376
  193    HB3  LYS  27           1HB      LYS  27  -1.851  11.029   1.235
  194    HG2  LYS  27           2HG      LYS  27  -1.656   9.713   3.184
  195    HG3  LYS  27           1HG      LYS  27  -0.851   8.401   2.324
  196    HD2  LYS  27           2HD      LYS  27   1.138   9.780   2.002
  197    HD3  LYS  27           1HD      LYS  27   0.334  11.159   2.753
  198    HE2  LYS  27           2HE      LYS  27   0.950   8.520   4.114
  199    HE3  LYS  27           1HE      LYS  27   1.818  10.033   4.367
  200    HZ1  LYS  27           3HZ      LYS  27  -1.076   9.614   4.890
  201    HZ2  LYS  27           1HZ      LYS  27  -0.205  11.040   5.180
  202    HZ3  LYS  27           2HZ      LYS  27   0.140   9.638   6.076
  203    H    LEU  28           H        LEU  28  -1.926   9.591  -1.902
  204    HA   LEU  28           HA       LEU  28  -3.821  11.644  -2.489
  205    HB2  LEU  28           2HB      LEU  28  -2.131   9.923  -4.320
  206    HB3  LEU  28           1HB      LEU  28  -3.038  11.349  -4.822
  207    HG   LEU  28           HG       LEU  28  -0.911  11.373  -2.663
  208   HD11  LEU  28          1HD1      LEU  28  -0.796  12.056  -5.611
  209   HD12  LEU  28          2HD1      LEU  28   0.200  10.892  -4.739
  210   HD13  LEU  28          3HD1      LEU  28   0.403  12.619  -4.448
  211   HD21  LEU  28          3HD2      LEU  28  -2.241  13.243  -2.259
  212   HD22  LEU  28          1HD2      LEU  28  -2.697  13.413  -3.955
  213   HD23  LEU  28          2HD2      LEU  28  -1.091  13.905  -3.420
  214    H    ASP  29           H        ASP  29  -3.670   8.165  -3.137
  215    HA   ASP  29           HA       ASP  29  -6.249   8.287  -4.524
  216    HB2  ASP  29           2HB      ASP  29  -4.234   6.064  -4.197
  217    HB3  ASP  29           1HB      ASP  29  -5.754   5.908  -5.076
  218    H    LYS  30           H        LYS  30  -4.798   6.097  -2.079
  219    HA   LYS  30           HA       LYS  30  -7.484   5.338  -1.245
  220    HB2  LYS  30           2HB      LYS  30  -4.863   4.323  -0.152
  221    HB3  LYS  30           1HB      LYS  30  -6.441   3.535  -0.095
  222    HG2  LYS  30           2HG      LYS  30  -4.804   4.111  -2.583
  223    HG3  LYS  30           1HG      LYS  30  -5.123   2.526  -1.877
  224    HD2  LYS  30           2HD      LYS  30  -7.608   3.041  -2.192
  225    HD3  LYS  30           1HD      LYS  30  -7.097   4.399  -3.196
  226    HE2  LYS  30           2HE      LYS  30  -6.121   1.580  -3.680
  227    HE3  LYS  30           1HE      LYS  30  -7.587   2.211  -4.430
  228    HZ1  LYS  30           3HZ      LYS  30  -6.286   3.089  -5.975
  229    HZ2  LYS  30           1HZ      LYS  30  -4.876   2.676  -5.127
  230    HZ3  LYS  30           2HZ      LYS  30  -5.664   4.145  -4.800
  231    H    HIS  31           H        HIS  31  -5.606   7.869  -0.406
  232    HA   HIS  31           HA       HIS  31  -5.482   9.242   1.441
  233    HB2  HIS  31           2HB      HIS  31  -8.029   7.852   2.284
  234    HB3  HIS  31           1HB      HIS  31  -7.507   9.487   2.689
  235    HD2  HIS  31           2HD      HIS  31  -7.194  11.124   0.136
  236    HE1  HIS  31           1HE      HIS  31 -10.356   9.010  -1.695
  237    HE2  HIS  31           2HE      HIS  31  -8.899  11.084  -1.842
  238    H    ALA  32           H        ALA  32  -4.450   6.355   1.605
  239    HA   ALA  32           HA       ALA  32  -4.763   5.428   4.257
  240    HB1  ALA  32           1HB      ALA  32  -3.709   4.250   2.183
  241    HB2  ALA  32           2HB      ALA  32  -3.042   3.916   3.782
  242    HB3  ALA  32           3HB      ALA  32  -2.219   5.041   2.702
  243    H    ARG  33           H        ARG  33  -3.283   5.584   6.045
  244    HA   ARG  33           HA       ARG  33  -2.240   8.257   6.364
  245    HB2  ARG  33           2HB      ARG  33  -2.034   5.891   8.236
  246    HB3  ARG  33           1HB      ARG  33  -1.745   7.583   8.643
  247    HG2  ARG  33           2HG      ARG  33  -4.380   6.659   7.492
  248    HG3  ARG  33           1HG      ARG  33  -4.065   6.637   9.227
  249    HD2  ARG  33           2HD      ARG  33  -3.393   9.085   9.007
  250    HD3  ARG  33           1HD      ARG  33  -4.066   9.031   7.380
  251    HE   ARG  33           HE       ARG  33  -6.173   9.125   8.332
  252   HH11  ARG  33          1HH2      ARG  33  -3.842   8.014  10.636
  253   HH12  ARG  33          2HH2      ARG  33  -4.957   7.992  11.961
  254   HH21  ARG  33          1HH1      ARG  33  -7.641   9.099  10.067
  255   HH22  ARG  33          2HH1      ARG  33  -7.107   8.606  11.638
  256    H    SER  34           H        SER  34  -0.864   4.998   6.112
  257    HA   SER  34           HA       SER  34   1.781   6.253   5.695
  258    HB2  SER  34           2HB      SER  34   1.384   5.049   7.942
  259    HB3  SER  34           1HB      SER  34   1.435   3.565   6.996
  260    HG   SER  34           HG       SER  34   3.467   4.857   7.926
  261    H    GLY  35           H        GLY  35  -0.623   4.410   4.324
  262    HA2  GLY  35           2HA      GLY  35  -0.560   2.587   2.806
  263    HA3  GLY  35           1HA      GLY  35   0.207   3.890   1.903
  264    H    GLU  36           H        GLU  36   0.628   0.813   3.328
  265    HA   GLU  36           HA       GLU  36   3.528   0.903   2.740
  266    HB2  GLU  36           2HB      GLU  36   2.051  -0.759   4.797
  267    HB3  GLU  36           1HB      GLU  36   3.763  -0.934   4.409
  268    HG2  GLU  36           2HG      GLU  36   2.485   1.644   5.365
  269    HG3  GLU  36           1HG      GLU  36   3.346   0.516   6.411
  270    H    CYS  37           H        CYS  37   4.306  -0.552   1.317
  271    HA   CYS  37           HA       CYS  37   2.374  -2.457   0.156
  272    HB2  CYS  37           2HB      CYS  37   4.802  -1.074  -0.976
  273    HB3  CYS  37           1HB      CYS  37   4.021  -2.435  -1.784
  274    H    PHE  38           H        PHE  38   2.889  -4.595  -0.129
  275    HA   PHE  38           HA       PHE  38   5.496  -5.519   0.902
  276    HB2  PHE  38           2HB      PHE  38   2.805  -6.750   1.546
  277    HB3  PHE  38           1HB      PHE  38   4.374  -7.393   2.031
  278    HD1  PHE  38           1HD      PHE  38   2.055  -4.515   2.408
  279    HD2  PHE  38           2HD      PHE  38   5.577  -6.481   3.882
  280    HE1  PHE  38           1HE      PHE  38   2.049  -3.035   4.398
  281    HE2  PHE  38           2HE      PHE  38   5.572  -5.001   5.872
  282    HZ   PHE  38           HZ       PHE  38   3.808  -3.278   6.130
  283    H    TYR  39           H        TYR  39   5.984  -7.771   0.218
  284    HA   TYR  39           HA       TYR  39   5.216  -8.122  -2.578
  285    HB2  TYR  39           2HB      TYR  39   7.207  -9.704  -0.937
  286    HB3  TYR  39           1HB      TYR  39   7.049  -9.697  -2.693
  287    HD1  TYR  39           1HD      TYR  39   7.978  -7.651   0.259
  288    HD2  TYR  39           2HD      TYR  39   7.964  -7.924  -4.028
  289    HE1  TYR  39           1HE      TYR  39   9.498  -5.696   0.130
  290    HE2  TYR  39           2HE      TYR  39   9.485  -5.968  -4.157
  291    HH   TYR  39           HH       TYR  39  10.014  -3.884  -1.640
  292    H    ASP  40           H        ASP  40   3.833  -9.629  -3.284
  293    HA   ASP  40           HA       ASP  40   2.703 -11.497  -1.312
  294    HB2  ASP  40           2HB      ASP  40   0.852 -11.744  -2.894
  295    HB3  ASP  40           1HB      ASP  40   1.127 -10.042  -2.526
  296    H    GLU  41           H        GLU  41   1.802 -13.556  -2.640
  297    HA   GLU  41           HA       GLU  41   4.086 -15.118  -3.234
  298    HB2  GLU  41           2HB      GLU  41   1.162 -15.638  -3.818
  299    HB3  GLU  41           1HB      GLU  41   2.447 -16.842  -3.930
  300    HG2  GLU  41           2HG      GLU  41   1.784 -15.285  -1.415
  301    HG3  GLU  41           1HG      GLU  41   1.214 -16.919  -1.751
  302    H    LYS  42           H        LYS  42   1.879 -13.263  -5.216
  303    HA   LYS  42           HA       LYS  42   2.786 -14.403  -7.713
  304    HB2  LYS  42           2HB      LYS  42   1.192 -11.877  -7.214
  305    HB3  LYS  42           1HB      LYS  42   1.367 -12.721  -8.754
  306    HG2  LYS  42           2HG      LYS  42   0.311 -14.734  -7.732
  307    HG3  LYS  42           1HG      LYS  42   0.057 -13.814  -6.248
  308    HD2  LYS  42           2HD      LYS  42  -1.258 -12.142  -7.566
  309    HD3  LYS  42           1HD      LYS  42  -1.096 -13.185  -8.980
  310    HE2  LYS  42           2HE      LYS  42  -2.432 -13.914  -6.357
  311    HE3  LYS  42           1HE      LYS  42  -3.240 -13.625  -7.898
  312    HZ1  LYS  42           3HZ      LYS  42  -3.021 -15.815  -8.176
  313    HZ2  LYS  42           1HZ      LYS  42  -1.839 -15.962  -6.969
  314    HZ3  LYS  42           2HZ      LYS  42  -1.394 -15.483  -8.537
  315    H    ARG  43           H        ARG  43   4.467 -12.722  -5.612
  316    HA   ARG  43           HA       ARG  43   6.310 -11.359  -5.707
  317    HB2  ARG  43           2HB      ARG  43   6.263 -11.716  -8.703
  318    HB3  ARG  43           1HB      ARG  43   7.655 -11.436  -7.656
  319    HG2  ARG  43           2HG      ARG  43   5.934 -13.932  -7.745
  320    HG3  ARG  43           1HG      ARG  43   7.610 -13.789  -8.277
  321    HD2  ARG  43           2HD      ARG  43   6.506 -13.782  -5.485
  322    HD3  ARG  43           1HD      ARG  43   7.864 -14.692  -6.139
  323    HE   ARG  43           HE       ARG  43   7.917 -11.938  -5.180
  324   HH11  ARG  43          1HH2      ARG  43   9.442 -14.491  -6.949
  325   HH12  ARG  43          2HH2      ARG  43  11.033 -13.818  -6.819
  326   HH21  ARG  43          1HH1      ARG  43  10.001 -11.049  -5.004
  327   HH22  ARG  43          2HH1      ARG  43  11.349 -11.869  -5.718
  328    H    ASN  44           H        ASN  44   3.441 -10.426  -6.363
  329    HA   ASN  44           HA       ASN  44   4.051  -7.925  -7.778
  330    HB2  ASN  44           2HB      ASN  44   1.780  -9.618  -7.664
  331    HB3  ASN  44           1HB      ASN  44   1.324  -8.098  -6.897
  332   HD21  ASN  44          1HD2      ASN  44   0.127  -7.116  -8.587
  333   HD22  ASN  44          2HD2      ASN  44   0.771  -6.785 -10.123
  334    H    LEU  45           H        LEU  45   3.577  -5.889  -6.852
  335    HA   LEU  45           HA       LEU  45   3.972  -5.821  -3.966
  336    HB2  LEU  45           2HB      LEU  45   3.713  -3.468  -5.843
  337    HB3  LEU  45           1HB      LEU  45   4.472  -3.505  -4.251
  338    HG   LEU  45           HG       LEU  45   5.434  -5.052  -6.677
  339   HD11  LEU  45          1HD1      LEU  45   6.229  -2.430  -5.435
  340   HD12  LEU  45          2HD1      LEU  45   6.029  -2.835  -7.139
  341   HD13  LEU  45          3HD1      LEU  45   7.440  -3.416  -6.255
  342   HD21  LEU  45          3HD2      LEU  45   7.486  -5.264  -5.103
  343   HD22  LEU  45          1HD2      LEU  45   6.086  -6.282  -4.763
  344   HD23  LEU  45          2HD2      LEU  45   6.366  -4.822  -3.814
  345    H    GLN  46           H        GLN  46   2.165  -6.139  -2.803
  346    HA   GLN  46           HA       GLN  46  -0.395  -5.079  -3.708
  347    HB2  GLN  46           2HB      GLN  46   0.361  -6.687  -1.254
  348    HB3  GLN  46           1HB      GLN  46  -1.285  -6.237  -1.700
  349    HG2  GLN  46           2HG      GLN  46   0.588  -7.838  -3.466
  350    HG3  GLN  46           1HG      GLN  46  -0.668  -8.543  -2.448
  351   HE21  GLN  46          1HE2      GLN  46  -0.705  -8.834  -5.307
  352   HE22  GLN  46          2HE2      GLN  46  -2.044  -7.980  -5.904
  353    H    CYS  47           H        CYS  47  -1.199  -3.181  -3.094
  354    HA   CYS  47           HA       CYS  47   0.239  -1.543  -1.182
  355    HB2  CYS  47           2HB      CYS  47  -2.312  -0.954  -2.701
  356    HB3  CYS  47           1HB      CYS  47  -1.305   0.217  -1.850
  357    H    ILE  48           H        ILE  48  -0.073  -2.039   0.913
  358    HA   ILE  48           HA       ILE  48  -2.781  -2.706   1.843
  359    HB   ILE  48           HB       ILE  48  -0.169  -2.806   3.367
  360   HG12  ILE  48          2HG1      ILE  48  -1.689  -4.957   1.858
  361   HG13  ILE  48          1HG1      ILE  48  -0.073  -4.355   1.485
  362   HG21  ILE  48          1HG2      ILE  48  -2.320  -2.644   4.676
  363   HG22  ILE  48          2HG2      ILE  48  -1.416  -4.132   4.961
  364   HG23  ILE  48          3HG2      ILE  48  -2.832  -4.149   3.909
  365   HD11  ILE  48          3HD1      ILE  48   0.463  -6.256   2.703
  366   HD12  ILE  48          1HD1      ILE  48  -0.965  -6.125   3.731
  367   HD13  ILE  48          2HD1      ILE  48   0.412  -5.054   3.993
  368    H    CYS  49           H        CYS  49  -3.904  -0.849   2.130
  369    HA   CYS  49           HA       CYS  49  -2.652   1.515   3.259
  370    HB2  CYS  49           2HB      CYS  49  -5.519   0.923   2.503
  371    HB3  CYS  49           1HB      CYS  49  -4.925   2.493   3.044
  372    H    ASP  50           H        ASP  50  -2.781   2.214   5.321
  373    HA   ASP  50           HA       ASP  50  -4.332   0.554   7.219
  374    HB2  ASP  50           2HB      ASP  50  -2.685   1.000   8.881
  375    HB3  ASP  50           1HB      ASP  50  -1.803   0.552   7.421
  376    H    TYR  51           H        TYR  51  -5.593   1.547   8.768
  377    HA   TYR  51           HA       TYR  51  -5.926   4.471   8.460
  378    HB2  TYR  51           2HB      TYR  51  -7.926   2.312   9.144
  379    HB3  TYR  51           1HB      TYR  51  -8.232   4.016   9.475
  380    HD1  TYR  51           1HD      TYR  51  -6.866   1.946   6.657
  381    HD2  TYR  51           2HD      TYR  51  -9.441   5.163   7.861
  382    HE1  TYR  51           1HE      TYR  51  -7.551   2.278   4.298
  383    HE2  TYR  51           2HE      TYR  51 -10.128   5.498   5.503
  384    HH   TYR  51           HH       TYR  51  -9.957   3.457   3.236
  385    H    CYS  52           H        CYS  52  -4.480   5.136  10.029
  386    HA   CYS  52           HA       CYS  52  -3.977   5.858  12.157
  387    HB2  CYS  52           2HB      CYS  52  -6.293   4.295  13.254
  388    HB3  CYS  52           1HB      CYS  52  -5.624   5.831  13.809
  389    H    GLU  53           H        GLU  53  -4.721   2.477  11.633
  390    HA   GLU  53           HA       GLU  53  -2.643   1.772  13.617
  391    HB2  GLU  53           2HB      GLU  53  -5.187   0.249  13.008
  392    HB3  GLU  53           1HB      GLU  53  -3.913  -0.282  14.107
  393    HG2  GLU  53           2HG      GLU  53  -5.455   2.312  14.402
  394    HG3  GLU  53           1HG      GLU  53  -5.819   0.831  15.286
  395    H    TYR  54           H        TYR  54  -0.950   0.813  12.725
  396    HA   TYR  54           HA       TYR  54  -0.854   0.016  10.006
  397    HB2  TYR  54           2HB      TYR  54   0.997  -0.546  12.332
  398    HB3  TYR  54           1HB      TYR  54   1.356  -0.997  10.666
  399    HD1  TYR  54           1HD      TYR  54   0.596   1.894  12.890
  400    HD2  TYR  54           2HD      TYR  54   2.142   0.606   9.095
  401    HE1  TYR  54           1HE      TYR  54   1.407   4.194  12.439
  402    HE2  TYR  54           2HE      TYR  54   2.953   2.905   8.644
  403    HH   TYR  54           HH       TYR  54   3.491   4.912   9.746
  Start of MODEL    3
    1    H1   ASP   2           H        ASP   2 -11.651  -6.493  10.325
    2    HA   ASP   2           HA       ASP   2 -12.277  -3.619  10.491
    3    HB2  ASP   2           2HB      ASP   2 -12.690  -4.044  12.873
    4    HB3  ASP   2           1HB      ASP   2 -13.644  -5.132  11.867
    5    H    LYS   3           H        LYS   3  -9.604  -5.222   9.966
    6    HA   LYS   3           HA       LYS   3  -7.931  -4.208  12.117
    7    HB2  LYS   3           2HB      LYS   3  -7.265  -5.673   9.552
    8    HB3  LYS   3           1HB      LYS   3  -6.085  -5.226  10.784
    9    HG2  LYS   3           2HG      LYS   3  -7.175  -6.608  12.434
   10    HG3  LYS   3           1HG      LYS   3  -8.536  -6.911  11.354
   11    HD2  LYS   3           2HD      LYS   3  -6.975  -8.829  11.386
   12    HD3  LYS   3           1HD      LYS   3  -7.045  -8.087   9.787
   13    HE2  LYS   3           2HE      LYS   3  -4.707  -8.640  10.803
   14    HE3  LYS   3           1HE      LYS   3  -4.941  -7.078  10.020
   15    HZ1  LYS   3           3HZ      LYS   3  -5.476  -7.366  12.897
   16    HZ2  LYS   3           1HZ      LYS   3  -5.032  -5.984  12.023
   17    HZ3  LYS   3           2HZ      LYS   3  -3.877  -7.185  12.355
   18    H    CYS   4           H        CYS   4  -6.324  -2.634  11.885
   19    HA   CYS   4           HA       CYS   4  -6.951  -0.347  10.437
   20    HB2  CYS   4           2HB      CYS   4  -4.123  -1.087  11.174
   21    HB3  CYS   4           1HB      CYS   4  -4.857   0.515  11.121
   22    H    LYS   5           H        LYS   5  -5.197  -3.196   9.465
   23    HA   LYS   5           HA       LYS   5  -4.190  -1.932   7.033
   24    HB2  LYS   5           2HB      LYS   5  -3.993  -4.824   7.897
   25    HB3  LYS   5           1HB      LYS   5  -3.069  -4.034   6.620
   26    HG2  LYS   5           2HG      LYS   5  -2.990  -3.172   9.523
   27    HG3  LYS   5           1HG      LYS   5  -1.819  -4.272   8.797
   28    HD2  LYS   5           2HD      LYS   5  -1.479  -2.435   7.014
   29    HD3  LYS   5           1HD      LYS   5  -2.306  -1.366   8.150
   30    HE2  LYS   5           2HE      LYS   5   0.126  -1.239   8.481
   31    HE3  LYS   5           1HE      LYS   5  -0.647  -1.955   9.894
   32    HZ1  LYS   5           3HZ      LYS   5   1.276  -3.087   8.141
   33    HZ2  LYS   5           1HZ      LYS   5  -0.120  -4.050   8.187
   34    HZ3  LYS   5           2HZ      LYS   5   0.700  -3.675   9.628
   35    H    LYS   6           H        LYS   6  -5.199  -1.982   5.134
   36    HA   LYS   6           HA       LYS   6  -7.156  -4.117   4.602
   37    HB2  LYS   6           2HB      LYS   6  -7.601  -1.143   4.263
   38    HB3  LYS   6           1HB      LYS   6  -8.582  -2.359   3.445
   39    HG2  LYS   6           2HG      LYS   6  -8.946  -3.391   5.774
   40    HG3  LYS   6           1HG      LYS   6  -8.309  -1.875   6.413
   41    HD2  LYS   6           2HD      LYS   6 -10.578  -1.956   4.418
   42    HD3  LYS   6           1HD      LYS   6 -10.852  -2.004   6.160
   43    HE2  LYS   6           2HE      LYS   6  -9.415   0.180   4.624
   44    HE3  LYS   6           1HE      LYS   6 -10.998   0.307   5.392
   45    HZ1  LYS   6           3HZ      LYS   6  -9.808   1.083   7.108
   46    HZ2  LYS   6           1HZ      LYS   6  -8.357   0.386   6.574
   47    HZ3  LYS   6           2HZ      LYS   6  -9.488  -0.555   7.422
   48    H    VAL   7           H        VAL   7  -6.878  -5.022   2.659
   49    HA   VAL   7           HA       VAL   7  -4.674  -4.241   1.023
   50    HB   VAL   7           HB       VAL   7  -5.488  -6.594   1.337
   51   HG11  VAL   7          1HG1      VAL   7  -7.930  -5.895   1.038
   52   HG12  VAL   7          2HG1      VAL   7  -7.435  -7.354   0.181
   53   HG13  VAL   7          3HG1      VAL   7  -7.598  -5.831  -0.693
   54   HG21  VAL   7          3HG2      VAL   7  -5.136  -7.215  -1.051
   55   HG22  VAL   7          1HG2      VAL   7  -3.965  -6.019  -0.497
   56   HG23  VAL   7          2HG2      VAL   7  -5.329  -5.519  -1.499
   57    H    TYR   8           H        TYR   8  -4.589  -3.098  -0.820
   58    HA   TYR   8           HA       TYR   8  -7.125  -2.261  -2.078
   59    HB2  TYR   8           2HB      TYR   8  -4.939  -0.558  -0.985
   60    HB3  TYR   8           1HB      TYR   8  -5.675  -0.058  -2.509
   61    HD1  TYR   8           2HD      TYR   8  -8.041   0.559  -2.630
   62    HD2  TYR   8           1HD      TYR   8  -6.243  -0.646   1.081
   63    HE1  TYR   8           2HE      TYR   8 -10.006   1.433  -1.393
   64    HE2  TYR   8           1HE      TYR   8  -8.208   0.228   2.317
   65    HH   TYR   8           HH       TYR   8 -10.209   1.166   2.159
   66    H    GLU   9           H        GLU   9  -6.513  -4.051  -3.527
   67    HA   GLU   9           HA       GLU   9  -4.176  -4.012  -5.112
   68    HB2  GLU   9           2HB      GLU   9  -6.890  -5.107  -5.878
   69    HB3  GLU   9           1HB      GLU   9  -5.328  -5.581  -6.547
   70    HG2  GLU   9           2HG      GLU   9  -5.665  -7.257  -4.968
   71    HG3  GLU   9           1HG      GLU   9  -4.732  -6.089  -4.036
   72    H    ASN  10           H        ASN  10  -5.804  -4.244  -7.663
   73    HA   ASN  10           HA       ASN  10  -6.010  -2.880  -9.516
   74    HB2  ASN  10           2HB      ASN  10  -7.561  -1.223  -7.512
   75    HB3  ASN  10           1HB      ASN  10  -7.711  -1.141  -9.265
   76   HD21  ASN  10          1HD2      ASN  10 -10.024  -1.752  -7.868
   77   HD22  ASN  10          2HD2      ASN  10 -10.412  -3.394  -8.058
   78    H    TYR  11           H        TYR  11  -3.888  -2.212  -7.285
   79    HA   TYR  11           HA       TYR  11  -2.918   0.133  -8.699
   80    HB2  TYR  11           2HB      TYR  11  -3.824   0.221  -5.841
   81    HB3  TYR  11           1HB      TYR  11  -2.521   1.274  -6.394
   82    HD1  TYR  11           1HD      TYR  11  -6.099   0.463  -6.712
   83    HD2  TYR  11           2HD      TYR  11  -2.925   3.029  -8.054
   84    HE1  TYR  11           1HE      TYR  11  -7.765   1.999  -7.720
   85    HE2  TYR  11           2HE      TYR  11  -4.592   4.564  -9.062
   86    HH   TYR  11           HH       TYR  11  -7.685   4.673  -8.304
   87    HA   PRO  12           HA       PRO  12   0.516  -2.375  -6.696
   88    HB2  PRO  12           2HB      PRO  12   0.460  -4.590  -8.533
   89    HB3  PRO  12           1HB      PRO  12   0.118  -4.625  -6.793
   90    HG2  PRO  12           2HG      PRO  12  -1.752  -5.144  -8.710
   91    HG3  PRO  12           1HG      PRO  12  -2.136  -4.500  -7.105
   92    HD2  PRO  12           2HD      PRO  12  -1.810  -2.967  -9.693
   93    HD3  PRO  12           1HD      PRO  12  -3.115  -2.848  -8.489
   94    H    VAL  13           H        VAL  13   2.218  -1.192  -7.491
   95    HA   VAL  13           HA       VAL  13   2.837  -1.417 -10.372
   96    HB   VAL  13           HB       VAL  13   3.095   1.174  -8.860
   97   HG11  VAL  13          1HG1      VAL  13   2.994   0.404 -11.789
   98   HG12  VAL  13          2HG1      VAL  13   4.386   1.031 -10.905
   99   HG13  VAL  13          3HG1      VAL  13   2.990   2.068 -11.206
  100   HG21  VAL  13          3HG2      VAL  13   0.739   0.138 -10.464
  101   HG22  VAL  13          1HG2      VAL  13   0.955   1.827 -10.007
  102   HG23  VAL  13          2HG2      VAL  13   0.739   0.597  -8.760
  103    H    SER  14           H        SER  14   5.005  -1.330 -10.918
  104    HA   SER  14           HA       SER  14   6.904  -2.251  -9.088
  105    HB2  SER  14           2HB      SER  14   8.560  -1.746 -10.779
  106    HB3  SER  14           1HB      SER  14   7.110  -2.334 -11.587
  107    HG   SER  14           HG       SER  14   6.957   0.323 -11.219
  108    H    LYS  15           H        LYS  15   5.894   0.986  -9.965
  109    HA   LYS  15           HA       LYS  15   7.966   2.478  -8.787
  110    HB2  LYS  15           2HB      LYS  15   5.026   3.134  -9.107
  111    HB3  LYS  15           1HB      LYS  15   6.265   4.299  -8.642
  112    HG2  LYS  15           2HG      LYS  15   7.495   3.535 -10.793
  113    HG3  LYS  15           1HG      LYS  15   5.940   2.851 -11.266
  114    HD2  LYS  15           2HD      LYS  15   6.397   5.745 -10.479
  115    HD3  LYS  15           1HD      LYS  15   6.240   5.160 -12.136
  116    HE2  LYS  15           2HE      LYS  15   4.062   5.898 -11.585
  117    HE3  LYS  15           1HE      LYS  15   3.989   4.151 -11.361
  118    HZ1  LYS  15           3HZ      LYS  15   3.594   4.403  -9.206
  119    HZ2  LYS  15           1HZ      LYS  15   3.370   6.059  -9.497
  120    HZ3  LYS  15           2HZ      LYS  15   4.892   5.482  -9.009
  121    H    CYS  16           H        CYS  16   5.268   0.749  -7.429
  122    HA   CYS  16           HA       CYS  16   5.167   2.013  -4.896
  123    HB2  CYS  16           2HB      CYS  16   4.512  -0.876  -5.531
  124    HB3  CYS  16           1HB      CYS  16   3.913   0.079  -4.174
  125    H    GLN  17           H        GLN  17   7.348  -0.284  -6.308
  126    HA   GLN  17           HA       GLN  17   8.433  -1.657  -4.211
  127    HB2  GLN  17           2HB      GLN  17  10.503  -1.723  -5.424
  128    HB3  GLN  17           1HB      GLN  17   9.210  -1.682  -6.623
  129    HG2  GLN  17           2HG      GLN  17   9.501   0.866  -6.620
  130    HG3  GLN  17           1HG      GLN  17  11.005   0.581  -5.745
  131   HE21  GLN  17          1HE2      GLN  17  12.534   1.057  -7.385
  132   HE22  GLN  17          2HE2      GLN  17  12.602   0.234  -8.868
  133    H    LEU  18           H        LEU  18   8.284   1.727  -4.603
  134    HA   LEU  18           HA       LEU  18  10.393   2.219  -2.614
  135    HB2  LEU  18           2HB      LEU  18   8.747   4.178  -4.238
  136    HB3  LEU  18           1HB      LEU  18  10.104   4.583  -3.188
  137    HG   LEU  18           HG       LEU  18  10.261   2.769  -5.613
  138   HD11  LEU  18          1HD1      LEU  18   9.933   5.057  -6.331
  139   HD12  LEU  18          2HD1      LEU  18  11.644   4.673  -6.526
  140   HD13  LEU  18          3HD1      LEU  18  11.109   5.644  -5.155
  141   HD21  LEU  18          3HD2      LEU  18  12.200   3.643  -3.489
  142   HD22  LEU  18          1HD2      LEU  18  12.791   3.331  -5.121
  143   HD23  LEU  18          2HD2      LEU  18  11.989   2.050  -4.214
  144    H    ALA  19           H        ALA  19   9.628   1.838  -0.603
  145    HA   ALA  19           HA       ALA  19   7.064   1.920   0.355
  146    HB1  ALA  19           1HB      ALA  19   9.070   1.193   1.650
  147    HB2  ALA  19           2HB      ALA  19   7.996   2.249   2.567
  148    HB3  ALA  19           3HB      ALA  19   9.489   2.890   1.882
  149    H    ASN  20           H        ASN  20   8.927   4.557  -0.754
  150    HA   ASN  20           HA       ASN  20   7.542   6.599   0.755
  151    HB2  ASN  20           2HB      ASN  20   9.362   6.754  -1.660
  152    HB3  ASN  20           1HB      ASN  20   8.724   8.155  -0.801
  153   HD21  ASN  20          1HD2      ASN  20  11.571   6.842  -1.061
  154   HD22  ASN  20          2HD2      ASN  20  12.111   6.806   0.548
  155    H    GLN  21           H        GLN  21   7.517   5.407  -2.592
  156    HA   GLN  21           HA       GLN  21   5.491   7.105  -3.574
  157    HB2  GLN  21           2HB      GLN  21   6.370   4.328  -4.395
  158    HB3  GLN  21           1HB      GLN  21   5.180   5.273  -5.291
  159    HG2  GLN  21           2HG      GLN  21   7.936   6.324  -4.624
  160    HG3  GLN  21           1HG      GLN  21   7.578   5.466  -6.122
  161   HE21  GLN  21          1HE2      GLN  21   8.129   8.487  -5.295
  162   HE22  GLN  21          2HE2      GLN  21   6.946   9.317  -6.188
  163    H    CYS  22           H        CYS  22   5.389   3.986  -1.936
  164    HA   CYS  22           HA       CYS  22   2.737   3.271  -2.330
  165    HB2  CYS  22           2HB      CYS  22   4.299   2.868   0.226
  166    HB3  CYS  22           1HB      CYS  22   2.954   1.892  -0.369
  167    H    ASN  23           H        ASN  23   4.026   4.995   0.527
  168    HA   ASN  23           HA       ASN  23   1.455   5.503   1.616
  169    HB2  ASN  23           2HB      ASN  23   2.562   6.696   3.305
  170    HB3  ASN  23           1HB      ASN  23   3.724   5.468   2.812
  171   HD21  ASN  23          1HD2      ASN  23   3.886   8.472   3.828
  172   HD22  ASN  23          2HD2      ASN  23   5.040   9.139   2.778
  173    H    TYR  24           H        TYR  24   3.684   7.536  -0.269
  174    HA   TYR  24           HA       TYR  24   2.134   9.900  -0.152
  175    HB2  TYR  24           2HB      TYR  24   4.386   8.891  -1.789
  176    HB3  TYR  24           1HB      TYR  24   3.417  10.180  -2.503
  177    HD1  TYR  24           2HD      TYR  24   3.276  12.389  -1.461
  178    HD2  TYR  24           1HD      TYR  24   5.662   9.262   0.265
  179    HE1  TYR  24           2HE      TYR  24   4.401  14.051  -0.003
  180    HE2  TYR  24           1HE      TYR  24   6.785  10.924   1.723
  181    HH   TYR  24           HH       TYR  24   7.239  13.374   1.706
  182    H    ASP  25           H        ASP  25   2.392   7.434  -2.718
  183    HA   ASP  25           HA       ASP  25   0.411   8.531  -4.398
  184    HB2  ASP  25           2HB      ASP  25   1.298   5.655  -4.119
  185    HB3  ASP  25           1HB      ASP  25   0.385   6.317  -5.473
  186    H    CYS  26           H        CYS  26   0.205   6.007  -1.892
  187    HA   CYS  26           HA       CYS  26  -2.482   5.317  -2.244
  188    HB2  CYS  26           2HB      CYS  26  -0.697   5.324   0.189
  189    HB3  CYS  26           1HB      CYS  26  -2.358   4.735   0.248
  190    H    LYS  27           H        LYS  27  -1.026   7.851  -0.214
  191    HA   LYS  27           HA       LYS  27  -3.358   8.819   0.988
  192    HB2  LYS  27           2HB      LYS  27  -0.771  10.151   0.198
  193    HB3  LYS  27           1HB      LYS  27  -2.060  11.038   1.011
  194    HG2  LYS  27           2HG      LYS  27  -1.916   9.702   2.953
  195    HG3  LYS  27           1HG      LYS  27  -1.036   8.425   2.115
  196    HD2  LYS  27           2HD      LYS  27   0.479   9.730   3.560
  197    HD3  LYS  27           1HD      LYS  27   0.906   9.930   1.860
  198    HE2  LYS  27           2HE      LYS  27   0.823  12.073   3.256
  199    HE3  LYS  27           1HE      LYS  27  -0.105  12.089   1.758
  200    HZ1  LYS  27           3HZ      LYS  27  -2.050  12.125   2.856
  201    HZ2  LYS  27           1HZ      LYS  27  -1.118  12.763   4.121
  202    HZ3  LYS  27           2HZ      LYS  27  -1.505  11.109   4.103
  203    H    LEU  28           H        LEU  28  -1.870   9.597  -2.123
  204    HA   LEU  28           HA       LEU  28  -3.742  11.616  -2.868
  205    HB2  LEU  28           2HB      LEU  28  -1.899   9.899  -4.549
  206    HB3  LEU  28           1HB      LEU  28  -2.788  11.303  -5.137
  207    HG   LEU  28           HG       LEU  28  -0.840  11.400  -2.818
  208   HD11  LEU  28          1HD1      LEU  28   0.646  12.567  -4.476
  209   HD12  LEU  28          2HD1      LEU  28  -0.474  12.087  -5.750
  210   HD13  LEU  28          3HD1      LEU  28   0.398  10.858  -4.834
  211   HD21  LEU  28          3HD2      LEU  28  -2.227  13.261  -2.579
  212   HD22  LEU  28          1HD2      LEU  28  -2.526  13.389  -4.312
  213   HD23  LEU  28          2HD2      LEU  28  -0.981  13.910  -3.643
  214    H    ASP  29           H        ASP  29  -3.538   8.130  -3.415
  215    HA   ASP  29           HA       ASP  29  -5.958   8.204  -5.063
  216    HB2  ASP  29           2HB      ASP  29  -3.990   6.007  -4.425
  217    HB3  ASP  29           1HB      ASP  29  -5.431   5.779  -5.415
  218    H    LYS  30           H        LYS  30  -4.811   6.132  -2.368
  219    HA   LYS  30           HA       LYS  30  -7.599   5.473  -1.794
  220    HB2  LYS  30           2HB      LYS  30  -5.152   4.339  -0.450
  221    HB3  LYS  30           1HB      LYS  30  -6.761   3.623  -0.578
  222    HG2  LYS  30           2HG      LYS  30  -4.831   4.131  -2.862
  223    HG3  LYS  30           1HG      LYS  30  -5.291   2.559  -2.206
  224    HD2  LYS  30           2HD      LYS  30  -7.709   3.202  -2.786
  225    HD3  LYS  30           1HD      LYS  30  -7.013   4.509  -3.744
  226    HE2  LYS  30           2HE      LYS  30  -6.505   1.543  -4.086
  227    HE3  LYS  30           1HE      LYS  30  -7.359   2.604  -5.204
  228    HZ1  LYS  30           3HZ      LYS  30  -4.774   3.611  -4.564
  229    HZ2  LYS  30           1HZ      LYS  30  -5.452   3.276  -6.083
  230    HZ3  LYS  30           2HZ      LYS  30  -4.678   2.042  -5.209
  231    H    HIS  31           H        HIS  31  -5.638   7.899  -0.804
  232    HA   HIS  31           HA       HIS  31  -5.623   9.299   1.024
  233    HB2  HIS  31           2HB      HIS  31  -8.258   7.985   1.709
  234    HB3  HIS  31           1HB      HIS  31  -7.713   9.602   2.154
  235    HD2  HIS  31           2HD      HIS  31  -7.138  11.194  -0.407
  236    HE1  HIS  31           1HE      HIS  31 -10.330   9.254  -2.373
  237    HE2  HIS  31           2HE      HIS  31  -8.742  11.233  -2.467
  238    H    ALA  32           H        ALA  32  -4.645   6.415   1.270
  239    HA   ALA  32           HA       ALA  32  -5.165   5.485   3.889
  240    HB1  ALA  32           1HB      ALA  32  -2.518   5.069   2.525
  241    HB2  ALA  32           2HB      ALA  32  -3.974   4.303   1.891
  242    HB3  ALA  32           3HB      ALA  32  -3.436   3.949   3.534
  243    H    ARG  33           H        ARG  33  -3.651   5.511   5.724
  244    HA   ARG  33           HA       ARG  33  -2.735   8.202   6.226
  245    HB2  ARG  33           2HB      ARG  33  -2.419   5.735   7.947
  246    HB3  ARG  33           1HB      ARG  33  -2.237   7.413   8.463
  247    HG2  ARG  33           2HG      ARG  33  -4.797   6.347   7.251
  248    HG3  ARG  33           1HG      ARG  33  -4.493   6.352   8.988
  249    HD2  ARG  33           2HD      ARG  33  -3.970   8.852   8.723
  250    HD3  ARG  33           1HD      ARG  33  -4.702   8.721   7.127
  251    HE   ARG  33           HE       ARG  33  -6.334   7.711   9.312
  252   HH11  ARG  33          1HH2      ARG  33  -5.444  10.373   7.289
  253   HH12  ARG  33          2HH2      ARG  33  -6.928  11.233   7.532
  254   HH21  ARG  33          1HH1      ARG  33  -8.284   8.833   9.635
  255   HH22  ARG  33          2HH1      ARG  33  -8.535  10.361   8.860
  256    H    SER  34           H        SER  34  -1.179   5.015   5.928
  257    HA   SER  34           HA       SER  34   1.384   6.421   5.489
  258    HB2  SER  34           2HB      SER  34   1.892   3.872   6.623
  259    HB3  SER  34           1HB      SER  34   2.239   5.458   7.306
  260    HG   SER  34           HG       SER  34   0.711   3.896   8.429
  261    H    GLY  35           H        GLY  35  -0.893   4.401   4.171
  262    HA2  GLY  35           2HA      GLY  35  -0.816   2.665   2.606
  263    HA3  GLY  35           1HA      GLY  35   0.188   3.857   1.784
  264    H    GLU  36           H        GLU  36   0.104   0.788   3.270
  265    HA   GLU  36           HA       GLU  36   3.055   0.591   3.164
  266    HB2  GLU  36           2HB      GLU  36   1.069  -1.002   4.803
  267    HB3  GLU  36           1HB      GLU  36   2.801  -1.330   4.729
  268    HG2  GLU  36           2HG      GLU  36   1.596   1.315   5.595
  269    HG3  GLU  36           1HG      GLU  36   2.146   0.063   6.706
  270    H    CYS  37           H        CYS  37   3.888  -0.681   1.639
  271    HA   CYS  37           HA       CYS  37   2.062  -2.438   0.137
  272    HB2  CYS  37           2HB      CYS  37   4.654  -1.075  -0.544
  273    HB3  CYS  37           1HB      CYS  37   4.033  -2.408  -1.518
  274    H    PHE  38           H        PHE  38   2.416  -4.589  -0.087
  275    HA   PHE  38           HA       PHE  38   4.820  -5.726   1.205
  276    HB2  PHE  38           2HB      PHE  38   1.992  -6.799   1.358
  277    HB3  PHE  38           1HB      PHE  38   3.425  -7.600   2.002
  278    HD1  PHE  38           1HD      PHE  38   1.250  -4.611   2.304
  279    HD2  PHE  38           2HD      PHE  38   4.447  -6.885   4.051
  280    HE1  PHE  38           1HE      PHE  38   1.062  -3.277   4.386
  281    HE2  PHE  38           2HE      PHE  38   4.259  -5.552   6.133
  282    HZ   PHE  38           HZ       PHE  38   2.567  -3.747   6.301
  283    H    TYR  39           H        TYR  39   5.343  -7.920   0.435
  284    HA   TYR  39           HA       TYR  39   4.914  -8.094  -2.455
  285    HB2  TYR  39           2HB      TYR  39   6.757  -9.665  -0.636
  286    HB3  TYR  39           1HB      TYR  39   6.726  -9.758  -2.396
  287    HD1  TYR  39           1HD      TYR  39   7.166  -7.344   0.426
  288    HD2  TYR  39           2HD      TYR  39   7.983  -8.248  -3.692
  289    HE1  TYR  39           1HE      TYR  39   8.678  -5.383   0.296
  290    HE2  TYR  39           2HE      TYR  39   9.495  -6.287  -3.823
  291    HH   TYR  39           HH       TYR  39  10.880  -4.877  -1.493
  292    H    ASP  40           H        ASP  40   3.639  -9.572  -3.395
  293    HA   ASP  40           HA       ASP  40   2.292 -11.529  -1.663
  294    HB2  ASP  40           2HB      ASP  40   0.657 -11.713  -3.478
  295    HB3  ASP  40           1HB      ASP  40   0.870 -10.028  -3.004
  296    H    GLU  41           H        GLU  41   1.581 -13.535  -3.172
  297    HA   GLU  41           HA       GLU  41   3.934 -15.061  -3.547
  298    HB2  GLU  41           2HB      GLU  41   1.108 -15.569  -4.505
  299    HB3  GLU  41           1HB      GLU  41   2.407 -16.762  -4.505
  300    HG2  GLU  41           2HG      GLU  41   1.422 -15.311  -2.033
  301    HG3  GLU  41           1HG      GLU  41   0.918 -16.934  -2.500
  302    H    LYS  42           H        LYS  42   1.972 -13.129  -5.703
  303    HA   LYS  42           HA       LYS  42   3.173 -14.163  -8.120
  304    HB2  LYS  42           2HB      LYS  42   1.548 -11.640  -7.714
  305    HB3  LYS  42           1HB      LYS  42   1.889 -12.437  -9.250
  306    HG2  LYS  42           2HG      LYS  42   0.704 -14.468  -8.421
  307    HG3  LYS  42           1HG      LYS  42   0.293 -13.593  -6.945
  308    HD2  LYS  42           2HD      LYS  42  -0.836 -11.856  -8.362
  309    HD3  LYS  42           1HD      LYS  42  -0.547 -12.880  -9.768
  310    HE2  LYS  42           2HE      LYS  42  -2.751 -13.425  -9.060
  311    HE3  LYS  42           1HE      LYS  42  -1.742 -14.740  -8.459
  312    HZ1  LYS  42           3HZ      LYS  42  -1.883 -12.552  -6.626
  313    HZ2  LYS  42           1HZ      LYS  42  -2.195 -14.200  -6.367
  314    HZ3  LYS  42           2HZ      LYS  42  -3.419 -13.189  -6.971
  315    H    ARG  43           H        ARG  43   4.578 -12.566  -5.754
  316    HA   ARG  43           HA       ARG  43   6.428 -11.218  -5.570
  317    HB2  ARG  43           2HB      ARG  43   6.746 -11.464  -8.561
  318    HB3  ARG  43           1HB      ARG  43   8.001 -11.227  -7.344
  319    HG2  ARG  43           2HG      ARG  43   6.304 -13.711  -7.730
  320    HG3  ARG  43           1HG      ARG  43   8.031 -13.557  -8.050
  321    HD2  ARG  43           2HD      ARG  43   6.597 -13.674  -5.420
  322    HD3  ARG  43           1HD      ARG  43   8.053 -14.522  -5.933
  323    HE   ARG  43           HE       ARG  43   8.262 -11.616  -5.668
  324   HH11  ARG  43          1HH2      ARG  43   8.754 -14.777  -4.350
  325   HH12  ARG  43          2HH2      ARG  43   9.943 -14.264  -3.200
  326   HH21  ARG  43          1HH1      ARG  43   9.820 -10.934  -4.162
  327   HH22  ARG  43          2HH1      ARG  43  10.547 -12.088  -3.094
  328    H    ASN  44           H        ASN  44   3.662 -10.241  -6.541
  329    HA   ASN  44           HA       ASN  44   4.432  -7.705  -7.797
  330    HB2  ASN  44           2HB      ASN  44   2.141  -9.372  -7.937
  331    HB3  ASN  44           1HB      ASN  44   1.634  -7.860  -7.185
  332   HD21  ASN  44          1HD2      ASN  44   0.616  -6.827  -8.960
  333   HD22  ASN  44          2HD2      ASN  44   1.408  -6.476 -10.420
  334    H    LEU  45           H        LEU  45   3.909  -5.689  -6.864
  335    HA   LEU  45           HA       LEU  45   4.033  -5.700  -3.954
  336    HB2  LEU  45           2HB      LEU  45   3.991  -3.318  -5.816
  337    HB3  LEU  45           1HB      LEU  45   4.540  -3.360  -4.140
  338    HG   LEU  45           HG       LEU  45   5.800  -4.925  -6.411
  339   HD11  LEU  45          1HD1      LEU  45   6.427  -2.274  -5.135
  340   HD12  LEU  45          2HD1      LEU  45   6.424  -2.709  -6.845
  341   HD13  LEU  45          3HD1      LEU  45   7.728  -3.264  -5.795
  342   HD21  LEU  45          3HD2      LEU  45   7.649  -5.059  -4.580
  343   HD22  LEU  45          1HD2      LEU  45   6.245  -6.116  -4.426
  344   HD23  LEU  45          2HD2      LEU  45   6.352  -4.644  -3.459
  345    H    GLN  46           H        GLN  46   2.126  -6.024  -2.967
  346    HA   GLN  46           HA       GLN  46  -0.330  -4.897  -4.062
  347    HB2  GLN  46           2HB      GLN  46   0.254  -6.680  -1.692
  348    HB3  GLN  46           1HB      GLN  46  -1.358  -6.063  -2.061
  349    HG2  GLN  46           2HG      GLN  46   0.329  -7.599  -4.051
  350    HG3  GLN  46           1HG      GLN  46  -0.868  -8.360  -3.006
  351   HE21  GLN  46          1HE2      GLN  46  -1.352  -8.595  -5.707
  352   HE22  GLN  46          2HE2      GLN  46  -2.611  -7.561  -6.183
  353    H    CYS  47           H        CYS  47  -1.107  -2.979  -3.490
  354    HA   CYS  47           HA       CYS  47   0.153  -1.463  -1.362
  355    HB2  CYS  47           2HB      CYS  47  -2.194  -0.693  -3.109
  356    HB3  CYS  47           1HB      CYS  47  -1.178   0.390  -2.157
  357    H    ILE  48           H        ILE  48  -0.439  -1.894   0.674
  358    HA   ILE  48           HA       ILE  48  -3.284  -2.441   1.235
  359    HB   ILE  48           HB       ILE  48  -0.898  -2.930   3.030
  360   HG12  ILE  48          2HG1      ILE  48  -2.398  -4.787   1.155
  361   HG13  ILE  48          1HG1      ILE  48  -0.698  -4.329   1.046
  362   HG21  ILE  48          1HG2      ILE  48  -3.691  -4.094   3.138
  363   HG22  ILE  48          2HG2      ILE  48  -3.220  -2.652   4.038
  364   HG23  ILE  48          3HG2      ILE  48  -2.433  -4.194   4.370
  365   HD11  ILE  48          3HD1      ILE  48  -0.624  -5.272   3.521
  366   HD12  ILE  48          1HD1      ILE  48  -0.505  -6.364   2.141
  367   HD13  ILE  48          2HD1      ILE  48  -2.042  -6.172   2.985
  368    H    CYS  49           H        CYS  49  -4.321  -0.600   1.709
  369    HA   CYS  49           HA       CYS  49  -3.046   1.697   2.839
  370    HB2  CYS  49           2HB      CYS  49  -5.998   1.059   2.661
  371    HB3  CYS  49           1HB      CYS  49  -5.283   2.650   2.919
  372    H    ASP  50           H        ASP  50  -2.560   2.059   4.900
  373    HA   ASP  50           HA       ASP  50  -3.825   0.387   6.973
  374    HB2  ASP  50           2HB      ASP  50  -1.926   0.895   8.358
  375    HB3  ASP  50           1HB      ASP  50  -1.322   0.418   6.771
  376    H    TYR  51           H        TYR  51  -4.731   1.289   8.827
  377    HA   TYR  51           HA       TYR  51  -5.311   4.183   8.641
  378    HB2  TYR  51           2HB      TYR  51  -6.893   1.911   9.858
  379    HB3  TYR  51           1HB      TYR  51  -7.239   3.604  10.201
  380    HD1  TYR  51           1HD      TYR  51  -6.423   1.546   7.169
  381    HD2  TYR  51           2HD      TYR  51  -8.955   4.527   8.941
  382    HE1  TYR  51           1HE      TYR  51  -7.709   1.708   5.056
  383    HE2  TYR  51           2HE      TYR  51 -10.242   4.691   6.828
  384    HH   TYR  51           HH       TYR  51  -9.901   2.411   4.292
  385    H    CYS  52           H        CYS  52  -3.615   5.032   9.796
  386    HA   CYS  52           HA       CYS  52  -2.664   5.827  11.744
  387    HB2  CYS  52           2HB      CYS  52  -4.240   3.853  13.363
  388    HB3  CYS  52           1HB      CYS  52  -3.702   5.475  13.801
  389    H    GLU  53           H        GLU  53  -3.297   2.360  12.367
  390    HA   GLU  53           HA       GLU  53  -0.607   1.983  13.343
  391    HB2  GLU  53           2HB      GLU  53  -2.814  -0.017  12.801
  392    HB3  GLU  53           1HB      GLU  53  -1.301  -0.368  13.638
  393    HG2  GLU  53           2HG      GLU  53  -3.306   1.722  14.534
  394    HG3  GLU  53           1HG      GLU  53  -3.196   0.097  15.205
  395    H    TYR  54           H        TYR  54   1.071   1.794  12.021
  396    HA   TYR  54           HA       TYR  54   0.712   0.872   9.280
  397    HB2  TYR  54           2HB      TYR  54   2.987   1.580   8.930
  398    HB3  TYR  54           1HB      TYR  54   2.173   2.832   9.867
  399    HD1  TYR  54           2HD      TYR  54   2.676   3.170  12.236
  400    HD2  TYR  54           1HD      TYR  54   4.660   0.118   9.955
  401    HE1  TYR  54           2HE      TYR  54   4.359   2.917  14.039
  402    HE2  TYR  54           1HE      TYR  54   6.343  -0.135  11.759
  403    HH   TYR  54           HH       TYR  54   6.670   2.113  14.296
  Start of MODEL    4
    1    H1   ASP   2           H        ASP   2 -13.787  -3.281  11.825
    2    HA   ASP   2           HA       ASP   2 -12.453  -5.349  10.273
    3    HB2  ASP   2           2HB      ASP   2 -12.082  -3.566   8.629
    4    HB3  ASP   2           1HB      ASP   2 -13.770  -3.610   9.132
    5    H    LYS   3           H        LYS   3 -10.232  -5.069   9.503
    6    HA   LYS   3           HA       LYS   3  -8.482  -4.284  11.696
    7    HB2  LYS   3           2HB      LYS   3  -7.917  -5.615   9.037
    8    HB3  LYS   3           1HB      LYS   3  -6.706  -5.306  10.279
    9    HG2  LYS   3           2HG      LYS   3  -8.070  -6.646  11.886
   10    HG3  LYS   3           1HG      LYS   3  -9.181  -7.034  10.571
   11    HD2  LYS   3           2HD      LYS   3  -7.268  -8.019   9.303
   12    HD3  LYS   3           1HD      LYS   3  -6.232  -7.728  10.700
   13    HE2  LYS   3           2HE      LYS   3  -7.023 -10.031  10.771
   14    HE3  LYS   3           1HE      LYS   3  -7.779  -9.125  12.082
   15    HZ1  LYS   3           3HZ      LYS   3  -9.450 -10.400  10.996
   16    HZ2  LYS   3           1HZ      LYS   3  -8.985  -9.835   9.466
   17    HZ3  LYS   3           2HZ      LYS   3  -9.703  -8.772  10.581
   18    H    CYS   4           H        CYS   4  -6.863  -2.735  11.568
   19    HA   CYS   4           HA       CYS   4  -7.411  -0.379  10.172
   20    HB2  CYS   4           2HB      CYS   4  -4.635  -1.151  11.047
   21    HB3  CYS   4           1HB      CYS   4  -5.377   0.448  11.029
   22    H    LYS   5           H        LYS   5  -5.658  -3.228   9.217
   23    HA   LYS   5           HA       LYS   5  -4.496  -1.905   6.883
   24    HB2  LYS   5           2HB      LYS   5  -4.357  -4.817   7.691
   25    HB3  LYS   5           1HB      LYS   5  -3.365  -4.007   6.479
   26    HG2  LYS   5           2HG      LYS   5  -3.426  -3.256   9.415
   27    HG3  LYS   5           1HG      LYS   5  -2.196  -4.278   8.673
   28    HD2  LYS   5           2HD      LYS   5  -1.878  -2.318   7.003
   29    HD3  LYS   5           1HD      LYS   5  -2.741  -1.352   8.200
   30    HE2  LYS   5           2HE      LYS   5  -0.305  -1.211   8.554
   31    HE3  LYS   5           1HE      LYS   5  -1.092  -2.006   9.917
   32    HZ1  LYS   5           3HZ      LYS   5   0.930  -3.008   8.274
   33    HZ2  LYS   5           1HZ      LYS   5  -0.459  -3.940   7.990
   34    HZ3  LYS   5           2HZ      LYS   5   0.151  -3.783   9.570
   35    H    LYS   6           H        LYS   6  -5.311  -1.995   4.883
   36    HA   LYS   6           HA       LYS   6  -7.295  -4.059   4.221
   37    HB2  LYS   6           2HB      LYS   6  -7.698  -1.076   3.876
   38    HB3  LYS   6           1HB      LYS   6  -8.683  -2.299   3.073
   39    HG2  LYS   6           2HG      LYS   6  -9.131  -3.276   5.388
   40    HG3  LYS   6           1HG      LYS   6  -8.409  -1.807   6.046
   41    HD2  LYS   6           2HD      LYS   6 -10.660  -1.717   4.032
   42    HD3  LYS   6           1HD      LYS   6 -10.960  -1.800   5.770
   43    HE2  LYS   6           2HE      LYS   6  -9.396   0.347   4.308
   44    HE3  LYS   6           1HE      LYS   6 -10.968   0.537   5.084
   45    HZ1  LYS   6           3HZ      LYS   6  -8.320   0.367   6.271
   46    HZ2  LYS   6           1HZ      LYS   6  -9.559  -0.438   7.103
   47    HZ3  LYS   6           2HZ      LYS   6  -9.691   1.227   6.788
   48    H    VAL   7           H        VAL   7  -7.047  -4.847   2.204
   49    HA   VAL   7           HA       VAL   7  -4.786  -3.883   0.652
   50    HB   VAL   7           HB       VAL   7  -5.127  -6.301   1.030
   51   HG11  VAL   7          1HG1      VAL   7  -7.647  -6.150   0.968
   52   HG12  VAL   7          2HG1      VAL   7  -6.979  -7.463  -0.000
   53   HG13  VAL   7          3HG1      VAL   7  -7.535  -5.984  -0.785
   54   HG21  VAL   7          3HG2      VAL   7  -5.489  -5.528  -1.881
   55   HG22  VAL   7          1HG2      VAL   7  -4.708  -6.983  -1.264
   56   HG23  VAL   7          2HG2      VAL   7  -3.959  -5.406  -1.011
   57    H    TYR   8           H        TYR   8  -4.848  -2.886  -1.285
   58    HA   TYR   8           HA       TYR   8  -7.501  -2.383  -2.489
   59    HB2  TYR   8           2HB      TYR   8  -5.274  -0.464  -1.872
   60    HB3  TYR   8           1HB      TYR   8  -6.364  -0.150  -3.223
   61    HD1  TYR   8           2HD      TYR   8  -8.749   0.276  -2.857
   62    HD2  TYR   8           1HD      TYR   8  -6.085  -0.457   0.433
   63    HE1  TYR   8           2HE      TYR   8 -10.469   1.112  -1.277
   64    HE2  TYR   8           1HE      TYR   8  -7.806   0.378   2.012
   65    HH   TYR   8           HH       TYR   8 -11.037   0.836   1.134
   66    H    GLU   9           H        GLU   9  -7.010  -4.198  -3.875
   67    HA   GLU   9           HA       GLU   9  -4.757  -4.358  -5.554
   68    HB2  GLU   9           2HB      GLU   9  -7.577  -5.350  -6.038
   69    HB3  GLU   9           1HB      GLU   9  -6.147  -5.853  -6.941
   70    HG2  GLU   9           2HG      GLU   9  -6.318  -7.536  -5.327
   71    HG3  GLU   9           1HG      GLU   9  -5.173  -6.422  -4.581
   72    H    ASN  10           H        ASN  10  -5.006  -4.237  -8.026
   73    HA   ASN  10           HA       ASN  10  -5.416  -3.007  -9.937
   74    HB2  ASN  10           2HB      ASN  10  -7.358  -1.251  -8.477
   75    HB3  ASN  10           1HB      ASN  10  -7.383  -1.786 -10.155
   76   HD21  ASN  10          1HD2      ASN  10  -9.732  -2.137  -8.734
   77   HD22  ASN  10          2HD2      ASN  10  -9.954  -3.777  -8.356
   78    H    TYR  11           H        TYR  11  -4.170  -1.963  -7.067
   79    HA   TYR  11           HA       TYR  11  -3.226   0.529  -8.338
   80    HB2  TYR  11           2HB      TYR  11  -4.189   0.057  -5.543
   81    HB3  TYR  11           1HB      TYR  11  -2.984   1.309  -5.852
   82    HD1  TYR  11           1HD      TYR  11  -6.368   0.104  -6.861
   83    HD2  TYR  11           2HD      TYR  11  -3.598   3.389  -6.824
   84    HE1  TYR  11           1HE      TYR  11  -8.153   1.620  -7.680
   85    HE2  TYR  11           2HE      TYR  11  -5.384   4.903  -7.642
   86    HH   TYR  11           HH       TYR  11  -7.565   4.621  -8.975
   87    HA   PRO  12           HA       PRO  12   0.346  -1.822  -6.137
   88    HB2  PRO  12           2HB      PRO  12   0.536  -4.362  -7.076
   89    HB3  PRO  12           1HB      PRO  12  -0.472  -3.967  -5.672
   90    HG2  PRO  12           2HG      PRO  12  -1.280  -4.518  -8.489
   91    HG3  PRO  12           1HG      PRO  12  -2.087  -4.957  -6.974
   92    HD2  PRO  12           2HD      PRO  12  -2.807  -2.788  -8.571
   93    HD3  PRO  12           1HD      PRO  12  -3.208  -2.947  -6.845
   94    H    VAL  13           H        VAL  13   2.039  -0.913  -7.242
   95    HA   VAL  13           HA       VAL  13   2.445  -1.697 -10.063
   96    HB   VAL  13           HB       VAL  13   2.833   1.117  -9.052
   97   HG11  VAL  13          1HG1      VAL  13   4.092   0.586 -11.053
   98   HG12  VAL  13          2HG1      VAL  13   2.715   1.585 -11.519
   99   HG13  VAL  13          3HG1      VAL  13   2.677  -0.156 -11.797
  100   HG21  VAL  13          3HG2      VAL  13   0.689   1.549 -10.382
  101   HG22  VAL  13          1HG2      VAL  13   0.487   0.744  -8.826
  102   HG23  VAL  13          2HG2      VAL  13   0.419  -0.193 -10.319
  103    H    SER  14           H        SER  14   4.588  -1.683 -10.792
  104    HA   SER  14           HA       SER  14   6.592  -2.457  -9.039
  105    HB2  SER  14           2HB      SER  14   6.684  -2.687 -11.527
  106    HB3  SER  14           1HB      SER  14   6.991  -0.956 -11.641
  107    HG   SER  14           HG       SER  14   8.686  -1.823  -9.879
  108    H    LYS  15           H        LYS  15   5.564   0.741 -10.045
  109    HA   LYS  15           HA       LYS  15   7.713   2.260  -9.043
  110    HB2  LYS  15           2HB      LYS  15   4.777   2.973  -9.277
  111    HB3  LYS  15           1HB      LYS  15   6.075   4.127  -8.978
  112    HG2  LYS  15           2HG      LYS  15   7.161   3.198 -11.121
  113    HG3  LYS  15           1HG      LYS  15   5.592   2.463 -11.449
  114    HD2  LYS  15           2HD      LYS  15   6.060   5.419 -10.952
  115    HD3  LYS  15           1HD      LYS  15   5.809   4.685 -12.536
  116    HE2  LYS  15           2HE      LYS  15   3.657   5.439 -11.948
  117    HE3  LYS  15           1HE      LYS  15   3.623   3.732 -11.504
  118    HZ1  LYS  15           3HZ      LYS  15   3.246   4.293  -9.412
  119    HZ2  LYS  15           1HZ      LYS  15   3.195   5.930  -9.856
  120    HZ3  LYS  15           2HZ      LYS  15   4.662   5.231  -9.363
  121    H    CYS  16           H        CYS  16   5.031   0.674  -7.490
  122    HA   CYS  16           HA       CYS  16   5.051   2.107  -5.042
  123    HB2  CYS  16           2HB      CYS  16   4.263  -0.784  -5.485
  124    HB3  CYS  16           1HB      CYS  16   3.758   0.261  -4.158
  125    H    GLN  17           H        GLN  17   7.138  -0.291  -6.389
  126    HA   GLN  17           HA       GLN  17   8.237  -1.619  -4.270
  127    HB2  GLN  17           2HB      GLN  17  10.294  -1.741  -5.512
  128    HB3  GLN  17           1HB      GLN  17   8.975  -1.747  -6.684
  129    HG2  GLN  17           2HG      GLN  17   9.272   0.793  -6.808
  130    HG3  GLN  17           1HG      GLN  17  10.787   0.554  -5.939
  131   HE21  GLN  17          1HE2      GLN  17  12.284   0.968  -7.628
  132   HE22  GLN  17          2HE2      GLN  17  12.341   0.068  -9.067
  133    H    LEU  18           H        LEU  18   8.125   1.752  -4.751
  134    HA   LEU  18           HA       LEU  18  10.289   2.274  -2.832
  135    HB2  LEU  18           2HB      LEU  18   8.606   4.216  -4.439
  136    HB3  LEU  18           1HB      LEU  18  10.013   4.622  -3.457
  137    HG   LEU  18           HG       LEU  18  10.044   2.751  -5.842
  138   HD11  LEU  18          1HD1      LEU  18  11.436   4.637  -6.831
  139   HD12  LEU  18          2HD1      LEU  18  10.883   5.640  -5.489
  140   HD13  LEU  18          3HD1      LEU  18   9.719   4.991  -6.644
  141   HD21  LEU  18          3HD2      LEU  18  12.595   3.284  -5.484
  142   HD22  LEU  18          1HD2      LEU  18  11.819   2.053  -4.487
  143   HD23  LEU  18          2HD2      LEU  18  12.089   3.671  -3.839
  144    H    ALA  19           H        ALA  19   9.547   1.888  -0.804
  145    HA   ALA  19           HA       ALA  19   7.013   2.043   0.214
  146    HB1  ALA  19           1HB      ALA  19   8.959   1.249   1.501
  147    HB2  ALA  19           2HB      ALA  19   8.028   2.439   2.411
  148    HB3  ALA  19           3HB      ALA  19   9.541   2.908   1.637
  149    H    ASN  20           H        ASN  20   8.870   4.619  -1.002
  150    HA   ASN  20           HA       ASN  20   7.596   6.709   0.546
  151    HB2  ASN  20           2HB      ASN  20   9.348   6.792  -1.921
  152    HB3  ASN  20           1HB      ASN  20   8.761   8.221  -1.071
  153   HD21  ASN  20          1HD2      ASN  20  11.571   6.839  -1.381
  154   HD22  ASN  20          2HD2      ASN  20  12.153   6.823   0.214
  155    H    GLN  21           H        GLN  21   7.439   5.494  -2.789
  156    HA   GLN  21           HA       GLN  21   5.412   7.233  -3.706
  157    HB2  GLN  21           2HB      GLN  21   6.191   4.440  -4.577
  158    HB3  GLN  21           1HB      GLN  21   5.043   5.460  -5.445
  159    HG2  GLN  21           2HG      GLN  21   7.833   6.401  -4.771
  160    HG3  GLN  21           1HG      GLN  21   7.471   5.531  -6.261
  161   HE21  GLN  21          1HE2      GLN  21   8.372   8.296  -6.198
  162   HE22  GLN  21          2HE2      GLN  21   7.111   9.251  -6.813
  163    H    CYS  22           H        CYS  22   5.321   4.099  -2.096
  164    HA   CYS  22           HA       CYS  22   2.647   3.424  -2.426
  165    HB2  CYS  22           2HB      CYS  22   4.439   2.939  -0.039
  166    HB3  CYS  22           1HB      CYS  22   2.907   2.117  -0.339
  167    H    ASN  23           H        ASN  23   4.046   5.074   0.423
  168    HA   ASN  23           HA       ASN  23   1.519   5.587   1.605
  169    HB2  ASN  23           2HB      ASN  23   2.696   6.758   3.272
  170    HB3  ASN  23           1HB      ASN  23   3.811   5.504   2.736
  171   HD21  ASN  23          1HD2      ASN  23   4.084   8.492   3.769
  172   HD22  ASN  23          2HD2      ASN  23   5.222   9.138   2.688
  173    H    TYR  24           H        TYR  24   3.685   7.614  -0.353
  174    HA   TYR  24           HA       TYR  24   2.161   9.995  -0.120
  175    HB2  TYR  24           2HB      TYR  24   4.365   9.012  -1.835
  176    HB3  TYR  24           1HB      TYR  24   3.384  10.319  -2.500
  177    HD1  TYR  24           2HD      TYR  24   3.281  12.509  -1.413
  178    HD2  TYR  24           1HD      TYR  24   5.692   9.336   0.194
  179    HE1  TYR  24           2HE      TYR  24   4.449  14.136   0.048
  180    HE2  TYR  24           1HE      TYR  24   6.859  10.965   1.655
  181    HH   TYR  24           HH       TYR  24   5.769  13.832   2.449
  182    H    ASP  25           H        ASP  25   2.332   7.577  -2.738
  183    HA   ASP  25           HA       ASP  25   0.321   8.726  -4.347
  184    HB2  ASP  25           2HB      ASP  25   1.192   5.838  -4.150
  185    HB3  ASP  25           1HB      ASP  25   0.249   6.534  -5.465
  186    H    CYS  26           H        CYS  26   0.154   6.138  -1.904
  187    HA   CYS  26           HA       CYS  26  -2.562   5.512  -2.204
  188    HB2  CYS  26           2HB      CYS  26  -0.728   5.379   0.194
  189    HB3  CYS  26           1HB      CYS  26  -2.381   4.763   0.217
  190    H    LYS  27           H        LYS  27  -0.970   7.924  -0.132
  191    HA   LYS  27           HA       LYS  27  -3.207   8.887   1.229
  192    HB2  LYS  27           2HB      LYS  27  -0.632  10.164   0.342
  193    HB3  LYS  27           1HB      LYS  27  -1.868  11.111   1.170
  194    HG2  LYS  27           2HG      LYS  27  -1.728   9.802   3.130
  195    HG3  LYS  27           1HG      LYS  27  -0.909   8.482   2.294
  196    HD2  LYS  27           2HD      LYS  27   0.703   9.723   3.658
  197    HD3  LYS  27           1HD      LYS  27   1.063   9.958   1.947
  198    HE2  LYS  27           2HE      LYS  27  -0.709  11.888   3.439
  199    HE3  LYS  27           1HE      LYS  27   1.046  12.053   3.470
  200    HZ1  LYS  27           3HZ      LYS  27  -0.807  12.595   1.341
  201    HZ2  LYS  27           1HZ      LYS  27   0.520  11.661   0.850
  202    HZ3  LYS  27           2HZ      LYS  27   0.772  13.174   1.580
  203    H    LEU  28           H        LEU  28  -1.907   9.760  -1.943
  204    HA   LEU  28           HA       LEU  28  -3.829  11.796  -2.501
  205    HB2  LEU  28           2HB      LEU  28  -2.073  10.169  -4.356
  206    HB3  LEU  28           1HB      LEU  28  -2.990  11.602  -4.820
  207    HG   LEU  28           HG       LEU  28  -0.909  11.572  -2.617
  208   HD11  LEU  28          1HD1      LEU  28  -0.702  12.548  -5.483
  209   HD12  LEU  28          2HD1      LEU  28   0.119  11.136  -4.819
  210   HD13  LEU  28          3HD1      LEU  28   0.532  12.749  -4.240
  211   HD21  LEU  28          3HD2      LEU  28  -2.278  13.409  -2.181
  212   HD22  LEU  28          1HD2      LEU  28  -2.686  13.638  -3.881
  213   HD23  LEU  28          2HD2      LEU  28  -1.101  14.126  -3.281
  214    H    ASP  29           H        ASP  29  -3.678   8.327  -3.059
  215    HA   ASP  29           HA       ASP  29  -6.118   8.412  -4.675
  216    HB2  ASP  29           2HB      ASP  29  -4.181   6.194  -4.020
  217    HB3  ASP  29           1HB      ASP  29  -5.639   5.970  -4.983
  218    H    LYS  30           H        LYS  30  -4.977   6.345  -1.974
  219    HA   LYS  30           HA       LYS  30  -7.797   5.892  -1.283
  220    HB2  LYS  30           2HB      LYS  30  -5.365   4.410  -0.281
  221    HB3  LYS  30           1HB      LYS  30  -7.055   3.908  -0.163
  222    HG2  LYS  30           2HG      LYS  30  -5.506   4.304  -2.743
  223    HG3  LYS  30           1HG      LYS  30  -5.937   2.750  -2.029
  224    HD2  LYS  30           2HD      LYS  30  -8.372   3.551  -2.135
  225    HD3  LYS  30           1HD      LYS  30  -7.787   4.840  -3.185
  226    HE2  LYS  30           2HE      LYS  30  -7.316   1.891  -3.692
  227    HE3  LYS  30           1HE      LYS  30  -8.600   2.833  -4.447
  228    HZ1  LYS  30           3HZ      LYS  30  -6.215   2.539  -5.536
  229    HZ2  LYS  30           1HZ      LYS  30  -5.903   3.922  -4.605
  230    HZ3  LYS  30           2HZ      LYS  30  -7.153   3.939  -5.756
  231    H    HIS  31           H        HIS  31  -5.773   8.175  -0.397
  232    HA   HIS  31           HA       HIS  31  -5.438   9.438   1.505
  233    HB2  HIS  31           2HB      HIS  31  -8.053   8.235   2.418
  234    HB3  HIS  31           1HB      HIS  31  -7.393   9.824   2.806
  235    HD2  HIS  31           2HD      HIS  31  -9.550   8.158   0.058
  236    HE1  HIS  31           1HE      HIS  31  -8.617  12.044  -1.305
  237    HE2  HIS  31           2HE      HIS  31 -10.046   9.990  -1.737
  238    H    ALA  32           H        ALA  32  -4.383   6.673   1.540
  239    HA   ALA  32           HA       ALA  32  -4.778   5.538   4.123
  240    HB1  ALA  32           1HB      ALA  32  -3.015   4.060   3.578
  241    HB2  ALA  32           2HB      ALA  32  -2.272   5.220   2.476
  242    HB3  ALA  32           3HB      ALA  32  -3.779   4.421   2.028
  243    H    ARG  33           H        ARG  33  -3.398   5.624   5.955
  244    HA   ARG  33           HA       ARG  33  -2.293   8.233   6.429
  245    HB2  ARG  33           2HB      ARG  33  -2.091   5.761   8.160
  246    HB3  ARG  33           1HB      ARG  33  -1.837   7.432   8.666
  247    HG2  ARG  33           2HG      ARG  33  -4.442   6.420   7.496
  248    HG3  ARG  33           1HG      ARG  33  -4.125   6.525   9.229
  249    HD2  ARG  33           2HD      ARG  33  -3.507   8.988   8.778
  250    HD3  ARG  33           1HD      ARG  33  -4.298   8.770   7.218
  251    HE   ARG  33           HE       ARG  33  -5.596   9.041   9.765
  252   HH11  ARG  33          1HH2      ARG  33  -5.754   7.572   6.636
  253   HH12  ARG  33          2HH2      ARG  33  -7.482   7.447   6.630
  254   HH21  ARG  33          1HH1      ARG  33  -7.863   8.879   9.764
  255   HH22  ARG  33          2HH1      ARG  33  -8.676   8.187   8.400
  256    H    SER  34           H        SER  34  -0.934   4.981   6.011
  257    HA   SER  34           HA       SER  34   1.722   6.237   5.679
  258    HB2  SER  34           2HB      SER  34   0.952   4.548   7.757
  259    HB3  SER  34           1HB      SER  34   1.853   3.511   6.654
  260    HG   SER  34           HG       SER  34   3.494   4.414   7.638
  261    H    GLY  35           H        GLY  35  -0.678   4.389   4.259
  262    HA2  GLY  35           2HA      GLY  35  -0.612   2.661   2.649
  263    HA3  GLY  35           1HA      GLY  35   0.196   3.982   1.811
  264    H    GLU  36           H        GLU  36   0.512   0.826   3.012
  265    HA   GLU  36           HA       GLU  36   3.424   0.879   2.490
  266    HB2  GLU  36           2HB      GLU  36   1.968  -0.756   4.584
  267    HB3  GLU  36           1HB      GLU  36   3.686  -0.884   4.205
  268    HG2  GLU  36           2HG      GLU  36   2.318   1.661   5.129
  269    HG3  GLU  36           1HG      GLU  36   3.228   0.580   6.184
  270    H    CYS  37           H        CYS  37   4.229  -0.768   1.251
  271    HA   CYS  37           HA       CYS  37   2.228  -2.592   0.069
  272    HB2  CYS  37           2HB      CYS  37   4.731  -1.323  -1.008
  273    HB3  CYS  37           1HB      CYS  37   4.045  -2.763  -1.759
  274    H    PHE  38           H        PHE  38   2.595  -4.764  -0.039
  275    HA   PHE  38           HA       PHE  38   5.078  -5.779   1.203
  276    HB2  PHE  38           2HB      PHE  38   2.273  -6.849   1.610
  277    HB3  PHE  38           1HB      PHE  38   3.750  -7.574   2.248
  278    HD1  PHE  38           1HD      PHE  38   1.592  -4.551   2.363
  279    HD2  PHE  38           2HD      PHE  38   4.832  -6.700   4.189
  280    HE1  PHE  38           1HE      PHE  38   1.497  -3.031   4.320
  281    HE2  PHE  38           2HE      PHE  38   4.738  -5.180   6.146
  282    HZ   PHE  38           HZ       PHE  38   3.071  -3.346   6.212
  283    H    TYR  39           H        TYR  39   5.545  -8.051   0.612
  284    HA   TYR  39           HA       TYR  39   4.954  -8.475  -2.226
  285    HB2  TYR  39           2HB      TYR  39   6.937  -9.802  -0.362
  286    HB3  TYR  39           1HB      TYR  39   6.758 -10.186  -2.074
  287    HD1  TYR  39           1HD      TYR  39   7.388  -7.325   0.254
  288    HD2  TYR  39           2HD      TYR  39   7.905  -8.930  -3.696
  289    HE1  TYR  39           1HE      TYR  39   8.861  -5.417  -0.328
  290    HE2  TYR  39           2HE      TYR  39   9.378  -7.022  -4.278
  291    HH   TYR  39           HH       TYR  39   9.531  -4.427  -3.210
  292    H    ASP  40           H        ASP  40   3.496  -9.913  -2.889
  293    HA   ASP  40           HA       ASP  40   2.428 -11.839  -0.934
  294    HB2  ASP  40           2HB      ASP  40   0.484 -11.984  -2.372
  295    HB3  ASP  40           1HB      ASP  40   0.840 -10.286  -2.065
  296    H    GLU  41           H        GLU  41   1.351 -13.736  -2.539
  297    HA   GLU  41           HA       GLU  41   3.592 -15.367  -3.175
  298    HB2  GLU  41           2HB      GLU  41   0.654 -15.702  -3.820
  299    HB3  GLU  41           1HB      GLU  41   1.880 -16.949  -4.047
  300    HG2  GLU  41           2HG      GLU  41   0.920 -17.414  -1.923
  301    HG3  GLU  41           1HG      GLU  41   2.453 -16.618  -1.569
  302    H    LYS  42           H        LYS  42   1.499 -13.276  -5.044
  303    HA   LYS  42           HA       LYS  42   2.282 -14.258  -7.619
  304    HB2  LYS  42           2HB      LYS  42   1.123 -11.559  -6.887
  305    HB3  LYS  42           1HB      LYS  42   1.146 -12.293  -8.491
  306    HG2  LYS  42           2HG      LYS  42  -0.218 -14.185  -7.606
  307    HG3  LYS  42           1HG      LYS  42  -0.310 -13.354  -6.052
  308    HD2  LYS  42           2HD      LYS  42  -1.328 -11.387  -7.234
  309    HD3  LYS  42           1HD      LYS  42  -1.373 -12.355  -8.707
  310    HE2  LYS  42           2HE      LYS  42  -3.528 -12.630  -7.752
  311    HE3  LYS  42           1HE      LYS  42  -2.657 -14.100  -7.313
  312    HZ1  LYS  42           3HZ      LYS  42  -2.015 -12.592  -5.257
  313    HZ2  LYS  42           1HZ      LYS  42  -3.430 -13.527  -5.281
  314    HZ3  LYS  42           2HZ      LYS  42  -3.503 -11.867  -5.637
  315    H    ARG  43           H        ARG  43   4.107 -12.849  -5.336
  316    HA   ARG  43           HA       ARG  43   6.125 -11.755  -5.333
  317    HB2  ARG  43           2HB      ARG  43   6.215 -12.167  -8.319
  318    HB3  ARG  43           1HB      ARG  43   7.564 -12.070  -7.187
  319    HG2  ARG  43           2HG      ARG  43   5.508 -14.293  -7.363
  320    HG3  ARG  43           1HG      ARG  43   7.217 -14.403  -7.783
  321    HD2  ARG  43           2HD      ARG  43   5.949 -14.183  -5.071
  322    HD3  ARG  43           1HD      ARG  43   7.201 -15.291  -5.624
  323    HE   ARG  43           HE       ARG  43   7.589 -12.564  -4.676
  324   HH11  ARG  43          1HH2      ARG  43   8.840 -15.308  -6.373
  325   HH12  ARG  43          2HH2      ARG  43  10.498 -14.857  -6.160
  326   HH21  ARG  43          1HH1      ARG  43   9.762 -11.967  -4.391
  327   HH22  ARG  43          2HH1      ARG  43  11.021 -12.966  -5.038
  328    H    ASN  44           H        ASN  44   3.482 -10.422  -6.109
  329    HA   ASN  44           HA       ASN  44   4.587  -8.030  -7.442
  330    HB2  ASN  44           2HB      ASN  44   2.549  -7.671  -8.399
  331    HB3  ASN  44           1HB      ASN  44   2.362  -9.402  -8.128
  332   HD21  ASN  44          1HD2      ASN  44   0.427  -6.923  -7.984
  333   HD22  ASN  44          2HD2      ASN  44  -0.390  -7.177  -6.518
  334    H    LEU  45           H        LEU  45   3.997  -5.943  -6.590
  335    HA   LEU  45           HA       LEU  45   4.071  -5.913  -3.691
  336    HB2  LEU  45           2HB      LEU  45   3.951  -3.539  -5.557
  337    HB3  LEU  45           1HB      LEU  45   4.545  -3.579  -3.896
  338    HG   LEU  45           HG       LEU  45   5.778  -5.175  -6.157
  339   HD11  LEU  45          1HD1      LEU  45   7.649  -3.373  -5.701
  340   HD12  LEU  45          2HD1      LEU  45   6.293  -2.401  -5.131
  341   HD13  LEU  45          3HD1      LEU  45   6.315  -2.997  -6.790
  342   HD21  LEU  45          3HD2      LEU  45   7.707  -5.130  -4.431
  343   HD22  LEU  45          1HD2      LEU  45   6.338  -6.189  -4.091
  344   HD23  LEU  45          2HD2      LEU  45   6.478  -4.634  -3.270
  345    H    GLN  46           H        GLN  46   2.181  -6.255  -2.683
  346    HA   GLN  46           HA       GLN  46  -0.315  -5.252  -3.789
  347    HB2  GLN  46           2HB      GLN  46   0.352  -6.856  -1.315
  348    HB3  GLN  46           1HB      GLN  46  -1.283  -6.329  -1.715
  349    HG2  GLN  46           2HG      GLN  46   0.468  -7.949  -3.582
  350    HG3  GLN  46           1HG      GLN  46  -0.740  -8.655  -2.511
  351   HE21  GLN  46          1HE2      GLN  46  -0.750  -8.640  -5.501
  352   HE22  GLN  46          2HE2      GLN  46  -2.187  -7.854  -5.948
  353    H    CYS  47           H        CYS  47  -1.131  -3.318  -3.338
  354    HA   CYS  47           HA       CYS  47   0.111  -1.610  -1.367
  355    HB2  CYS  47           2HB      CYS  47  -2.233  -1.224  -3.237
  356    HB3  CYS  47           1HB      CYS  47  -1.642   0.027  -2.142
  357    H    ILE  48           H        ILE  48  -0.323  -2.069   0.719
  358    HA   ILE  48           HA       ILE  48  -3.120  -2.622   1.479
  359    HB   ILE  48           HB       ILE  48  -0.629  -3.040   3.143
  360   HG12  ILE  48          2HG1      ILE  48  -2.177  -4.964   1.376
  361   HG13  ILE  48          1HG1      ILE  48  -0.498  -4.463   1.166
  362   HG21  ILE  48          1HG2      ILE  48  -2.072  -4.334   4.565
  363   HG22  ILE  48          2HG2      ILE  48  -3.393  -4.249   3.400
  364   HG23  ILE  48          3HG2      ILE  48  -2.892  -2.799   4.271
  365   HD11  ILE  48          3HD1      ILE  48  -0.254  -6.513   2.264
  366   HD12  ILE  48          1HD1      ILE  48  -1.685  -6.260   3.263
  367   HD13  ILE  48          2HD1      ILE  48  -0.201  -5.371   3.608
  368    H    CYS  49           H        CYS  49  -4.070  -0.679   1.819
  369    HA   CYS  49           HA       CYS  49  -2.691   1.546   3.015
  370    HB2  CYS  49           2HB      CYS  49  -5.625   1.078   2.445
  371    HB3  CYS  49           1HB      CYS  49  -4.941   2.606   2.997
  372    H    ASP  50           H        ASP  50  -2.464   1.999   5.111
  373    HA   ASP  50           HA       ASP  50  -3.918   0.340   7.064
  374    HB2  ASP  50           2HB      ASP  50  -2.166   0.867   8.622
  375    HB3  ASP  50           1HB      ASP  50  -1.404   0.395   7.103
  376    H    TYR  51           H        TYR  51  -5.022   1.248   8.800
  377    HA   TYR  51           HA       TYR  51  -5.576   4.142   8.548
  378    HB2  TYR  51           2HB      TYR  51  -7.298   1.863   9.535
  379    HB3  TYR  51           1HB      TYR  51  -7.673   3.548   9.888
  380    HD1  TYR  51           1HD      TYR  51  -6.547   1.555   6.911
  381    HD2  TYR  51           2HD      TYR  51  -9.218   4.536   8.467
  382    HE1  TYR  51           1HE      TYR  51  -7.587   1.790   4.674
  383    HE2  TYR  51           2HE      TYR  51 -10.259   4.773   6.229
  384    HH   TYR  51           HH       TYR  51  -8.877   3.648   3.435
  385    H    CYS  52           H        CYS  52  -3.993   4.952   9.891
  386    HA   CYS  52           HA       CYS  52  -3.315   5.768  11.945
  387    HB2  CYS  52           2HB      CYS  52  -5.083   3.786  13.346
  388    HB3  CYS  52           1HB      CYS  52  -4.596   5.401  13.863
  389    H    GLU  53           H        GLU  53  -4.010   2.305  12.516
  390    HA   GLU  53           HA       GLU  53  -1.459   1.952  13.820
  391    HB2  GLU  53           2HB      GLU  53  -3.558  -0.084  13.036
  392    HB3  GLU  53           1HB      GLU  53  -2.179  -0.382  14.095
  393    HG2  GLU  53           2HG      GLU  53  -4.325   1.695  14.620
  394    HG3  GLU  53           1HG      GLU  53  -4.287   0.093  15.354
  395    H    TYR  54           H        TYR  54   0.398   1.418  12.887
  396    HA   TYR  54           HA       TYR  54   0.480  -0.325  10.573
  397    HB2  TYR  54           2HB      TYR  54   1.531   1.187   9.061
  398    HB3  TYR  54           1HB      TYR  54   0.105   2.026   9.672
  399    HD1  TYR  54           1HD      TYR  54   3.790   1.774   9.889
  400    HD2  TYR  54           2HD      TYR  54   0.297   3.945  11.129
  401    HE1  TYR  54           1HE      TYR  54   5.230   3.604  10.743
  402    HE2  TYR  54           2HE      TYR  54   1.738   5.774  11.983
  403    HH   TYR  54           HH       TYR  54   5.228   5.448  12.130
  Start of MODEL    5
    1    H1   ASP   2           H        ASP   2  -7.224  -6.586  12.632
    2    HA   ASP   2           HA       ASP   2  -5.429  -5.721  10.450
    3    HB2  ASP   2           2HB      ASP   2  -6.735  -7.211   9.009
    4    HB3  ASP   2           1HB      ASP   2  -6.099  -8.090  10.397
    5    H    LYS   3           H        LYS   3  -8.184  -4.808  12.142
    6    HA   LYS   3           HA       LYS   3  -9.885  -3.783  10.168
    7    HB2  LYS   3           2HB      LYS   3  -9.325  -2.759  12.961
    8    HB3  LYS   3           1HB      LYS   3 -10.673  -2.232  11.952
    9    HG2  LYS   3           2HG      LYS   3 -11.439  -4.605  11.808
   10    HG3  LYS   3           1HG      LYS   3 -10.152  -5.055  12.926
   11    HD2  LYS   3           2HD      LYS   3 -11.095  -3.442  14.589
   12    HD3  LYS   3           1HD      LYS   3 -12.437  -3.144  13.485
   13    HE2  LYS   3           2HE      LYS   3 -13.114  -5.477  13.595
   14    HE3  LYS   3           1HE      LYS   3 -11.699  -5.876  14.570
   15    HZ1  LYS   3           3HZ      LYS   3 -12.637  -5.060  16.413
   16    HZ2  LYS   3           1HZ      LYS   3 -14.101  -5.232  15.573
   17    HZ3  LYS   3           2HZ      LYS   3 -13.317  -3.724  15.615
   18    H    CYS   4           H        CYS   4  -6.964  -2.452  11.623
   19    HA   CYS   4           HA       CYS   4  -7.250   0.112  10.317
   20    HB2  CYS   4           2HB      CYS   4  -4.714  -0.964  11.536
   21    HB3  CYS   4           1HB      CYS   4  -5.245   0.712  11.401
   22    H    LYS   5           H        LYS   5  -6.932  -2.649   8.892
   23    HA   LYS   5           HA       LYS   5  -4.928  -1.678   6.949
   24    HB2  LYS   5           2HB      LYS   5  -5.338  -4.566   7.753
   25    HB3  LYS   5           1HB      LYS   5  -4.161  -3.955   6.590
   26    HG2  LYS   5           2HG      LYS   5  -4.229  -3.067   9.482
   27    HG3  LYS   5           1HG      LYS   5  -3.244  -4.415   8.915
   28    HD2  LYS   5           2HD      LYS   5  -2.314  -2.767   7.165
   29    HD3  LYS   5           1HD      LYS   5  -3.032  -1.500   8.160
   30    HE2  LYS   5           2HE      LYS   5  -1.735  -2.230  10.095
   31    HE3  LYS   5           1HE      LYS   5  -1.077  -3.584   9.175
   32    HZ1  LYS   5           3HZ      LYS   5   0.564  -1.991   9.004
   33    HZ2  LYS   5           1HZ      LYS   5  -0.534  -0.704   8.878
   34    HZ3  LYS   5           2HZ      LYS   5  -0.305  -1.756   7.563
   35    H    LYS   6           H        LYS   6  -5.476  -1.834   4.833
   36    HA   LYS   6           HA       LYS   6  -7.749  -3.480   4.022
   37    HB2  LYS   6           2HB      LYS   6  -7.689  -0.466   3.721
   38    HB3  LYS   6           1HB      LYS   6  -8.767  -1.518   2.802
   39    HG2  LYS   6           2HG      LYS   6  -9.529  -2.468   5.053
   40    HG3  LYS   6           1HG      LYS   6  -8.691  -1.105   5.795
   41    HD2  LYS   6           2HD      LYS   6 -10.712  -0.705   3.588
   42    HD3  LYS   6           1HD      LYS   6 -11.197  -0.796   5.282
   43    HE2  LYS   6           2HE      LYS   6  -9.215   1.169   4.099
   44    HE3  LYS   6           1HE      LYS   6 -10.849   1.544   4.644
   45    HZ1  LYS   6           3HZ      LYS   6  -8.558   0.635   6.291
   46    HZ2  LYS   6           1HZ      LYS   6 -10.152   0.687   6.869
   47    HZ3  LYS   6           2HZ      LYS   6  -9.378   2.120   6.385
   48    H    VAL   7           H        VAL   7  -7.150  -4.510   2.240
   49    HA   VAL   7           HA       VAL   7  -4.830  -3.623   0.744
   50    HB   VAL   7           HB       VAL   7  -5.238  -6.020   1.329
   51   HG11  VAL   7          1HG1      VAL   7  -6.952  -7.264   0.227
   52   HG12  VAL   7          2HG1      VAL   7  -7.324  -5.926  -0.859
   53   HG13  VAL   7          3HG1      VAL   7  -7.744  -5.817   0.850
   54   HG21  VAL   7          3HG2      VAL   7  -5.142  -5.384  -1.639
   55   HG22  VAL   7          1HG2      VAL   7  -4.582  -6.876  -0.885
   56   HG23  VAL   7          2HG2      VAL   7  -3.757  -5.354  -0.546
   57    H    TYR   8           H        TYR   8  -4.777  -2.776  -1.261
   58    HA   TYR   8           HA       TYR   8  -7.375  -2.302  -2.599
   59    HB2  TYR   8           2HB      TYR   8  -4.966  -0.549  -2.239
   60    HB3  TYR   8           1HB      TYR   8  -6.006  -0.331  -3.647
   61    HD1  TYR   8           2HD      TYR   8  -8.335   0.387  -3.404
   62    HD2  TYR   8           1HD      TYR   8  -5.792  -0.119   0.021
   63    HE1  TYR   8           2HE      TYR   8  -9.972   1.619  -2.006
   64    HE2  TYR   8           1HE      TYR   8  -7.429   1.112   1.419
   65    HH   TYR   8           HH       TYR   8  -9.257   2.453   1.354
   66    H    GLU   9           H        GLU   9  -7.134  -4.298  -3.749
   67    HA   GLU   9           HA       GLU   9  -4.895  -4.913  -5.373
   68    HB2  GLU   9           2HB      GLU   9  -7.779  -5.758  -5.744
   69    HB3  GLU   9           1HB      GLU   9  -6.361  -6.539  -6.446
   70    HG2  GLU   9           2HG      GLU   9  -6.833  -6.219  -3.470
   71    HG3  GLU   9           1HG      GLU   9  -7.196  -7.684  -4.380
   72    H    ASN  10           H        ASN  10  -4.984  -5.033  -7.778
   73    HA   ASN  10           HA       ASN  10  -5.351  -4.116  -9.868
   74    HB2  ASN  10           2HB      ASN  10  -7.344  -2.180  -8.736
   75    HB3  ASN  10           1HB      ASN  10  -7.304  -2.931 -10.329
   76   HD21  ASN  10          1HD2      ASN  10  -9.712  -3.129  -9.026
   77   HD22  ASN  10          2HD2      ASN  10  -9.946  -4.698  -8.419
   78    H    TYR  11           H        TYR  11  -4.128  -2.706  -7.181
   79    HA   TYR  11           HA       TYR  11  -3.363  -0.270  -8.662
   80    HB2  TYR  11           2HB      TYR  11  -3.888  -0.759  -5.760
   81    HB3  TYR  11           1HB      TYR  11  -2.754   0.510  -6.229
   82    HD1  TYR  11           2HD      TYR  11  -3.498   2.467  -7.505
   83    HD2  TYR  11           1HD      TYR  11  -6.258  -0.614  -6.343
   84    HE1  TYR  11           2HE      TYR  11  -5.399   3.962  -8.053
   85    HE2  TYR  11           1HE      TYR  11  -8.158   0.882  -6.892
   86    HH   TYR  11           HH       TYR  11  -8.681   3.145  -7.216
   87    HA   PRO  12           HA       PRO  12   0.463  -2.651  -6.399
   88    HB2  PRO  12           2HB      PRO  12  -0.057  -4.834  -8.402
   89    HB3  PRO  12           1HB      PRO  12   0.664  -4.951  -6.786
   90    HG2  PRO  12           2HG      PRO  12  -1.857  -5.714  -7.242
   91    HG3  PRO  12           1HG      PRO  12  -1.383  -4.931  -5.724
   92    HD2  PRO  12           2HD      PRO  12  -2.974  -3.816  -7.976
   93    HD3  PRO  12           1HD      PRO  12  -2.963  -3.341  -6.261
   94    H    VAL  13           H        VAL  13   1.989  -1.334  -7.333
   95    HA   VAL  13           HA       VAL  13   2.430  -1.577 -10.243
   96    HB   VAL  13           HB       VAL  13   1.074   0.434  -9.835
   97   HG11  VAL  13          1HG1      VAL  13   3.408   1.326  -8.119
   98   HG12  VAL  13          2HG1      VAL  13   1.835   0.822  -7.500
   99   HG13  VAL  13          3HG1      VAL  13   1.969   2.273  -8.494
  100   HG21  VAL  13          3HG2      VAL  13   2.353   1.844 -11.192
  101   HG22  VAL  13          1HG2      VAL  13   3.091   0.272 -11.500
  102   HG23  VAL  13          2HG2      VAL  13   3.863   1.408 -10.392
  103    H    SER  14           H        SER  14   4.544  -1.149 -10.952
  104    HA   SER  14           HA       SER  14   6.625  -1.972  -9.274
  105    HB2  SER  14           2HB      SER  14   8.122  -1.261 -11.033
  106    HB3  SER  14           1HB      SER  14   6.677  -1.927 -11.788
  107    HG   SER  14           HG       SER  14   6.130   0.576 -11.421
  108    H    LYS  15           H        LYS  15   5.301   1.201  -9.971
  109    HA   LYS  15           HA       LYS  15   7.317   2.820  -8.876
  110    HB2  LYS  15           2HB      LYS  15   4.319   3.230  -9.016
  111    HB3  LYS  15           1HB      LYS  15   5.466   4.482  -8.537
  112    HG2  LYS  15           2HG      LYS  15   6.668   4.021 -10.753
  113    HG3  LYS  15           1HG      LYS  15   5.236   3.102 -11.216
  114    HD2  LYS  15           2HD      LYS  15   5.202   5.997 -10.313
  115    HD3  LYS  15           1HD      LYS  15   5.145   5.471 -11.996
  116    HE2  LYS  15           2HE      LYS  15   3.104   4.058 -11.298
  117    HE3  LYS  15           1HE      LYS  15   3.086   5.036  -9.831
  118    HZ1  LYS  15           3HZ      LYS  15   1.674   6.114 -11.344
  119    HZ2  LYS  15           1HZ      LYS  15   2.767   5.942 -12.630
  120    HZ3  LYS  15           2HZ      LYS  15   3.113   7.018 -11.362
  121    H    CYS  16           H        CYS  16   4.861   0.845  -7.397
  122    HA   CYS  16           HA       CYS  16   4.902   2.069  -4.819
  123    HB2  CYS  16           2HB      CYS  16   3.484  -0.033  -6.091
  124    HB3  CYS  16           1HB      CYS  16   4.252  -0.721  -4.659
  125    H    GLN  17           H        GLN  17   7.003  -0.099  -6.483
  126    HA   GLN  17           HA       GLN  17   8.214  -1.596  -4.531
  127    HB2  GLN  17           2HB      GLN  17  10.178  -1.619  -5.886
  128    HB3  GLN  17           1HB      GLN  17   8.821  -1.460  -7.003
  129    HG2  GLN  17           2HG      GLN  17   9.190   1.091  -6.772
  130    HG3  GLN  17           1HG      GLN  17  10.762   0.662  -6.097
  131   HE21  GLN  17          1HE2      GLN  17  12.153   1.203  -7.828
  132   HE22  GLN  17          2HE2      GLN  17  12.016   0.543  -9.386
  133    H    LEU  18           H        LEU  18   7.963   1.782  -4.673
  134    HA   LEU  18           HA       LEU  18  10.177   2.156  -2.756
  135    HB2  LEU  18           2HB      LEU  18   8.738   4.015  -4.632
  136    HB3  LEU  18           1HB      LEU  18   9.624   4.646  -3.244
  137    HG   LEU  18           HG       LEU  18  10.980   2.652  -5.021
  138   HD11  LEU  18          1HD1      LEU  18  11.824   4.671  -6.349
  139   HD12  LEU  18          2HD1      LEU  18  10.472   5.566  -5.657
  140   HD13  LEU  18          3HD1      LEU  18  10.168   4.165  -6.683
  141   HD21  LEU  18          3HD2      LEU  18  11.890   3.644  -2.826
  142   HD22  LEU  18          1HD2      LEU  18  12.049   5.161  -3.713
  143   HD23  LEU  18          2HD2      LEU  18  12.950   3.736  -4.234
  144    H    ALA  19           H        ALA  19   9.441   1.835  -0.733
  145    HA   ALA  19           HA       ALA  19   6.891   1.947   0.251
  146    HB1  ALA  19           1HB      ALA  19   9.363   2.883   1.726
  147    HB2  ALA  19           2HB      ALA  19   8.868   1.200   1.547
  148    HB3  ALA  19           3HB      ALA  19   7.858   2.324   2.457
  149    H    ASN  20           H        ASN  20   8.761   4.563  -0.897
  150    HA   ASN  20           HA       ASN  20   7.394   6.622   0.612
  151    HB2  ASN  20           2HB      ASN  20   9.237   6.743  -1.787
  152    HB3  ASN  20           1HB      ASN  20   8.590   8.160  -0.963
  153   HD21  ASN  20          1HD2      ASN  20  11.439   6.852  -1.162
  154   HD22  ASN  20          2HD2      ASN  20  11.957   6.836   0.455
  155    H    GLN  21           H        GLN  21   7.347   5.373  -2.711
  156    HA   GLN  21           HA       GLN  21   5.347   7.094  -3.718
  157    HB2  GLN  21           2HB      GLN  21   6.152   4.285  -4.515
  158    HB3  GLN  21           1HB      GLN  21   5.032   5.290  -5.436
  159    HG2  GLN  21           2HG      GLN  21   7.836   6.169  -4.711
  160    HG3  GLN  21           1HG      GLN  21   7.432   5.380  -6.235
  161   HE21  GLN  21          1HE2      GLN  21   8.262   8.292  -5.482
  162   HE22  GLN  21          2HE2      GLN  21   7.107   9.241  -6.286
  163    H    CYS  22           H        CYS  22   5.206   3.956  -2.105
  164    HA   CYS  22           HA       CYS  22   2.550   3.281  -2.460
  165    HB2  CYS  22           2HB      CYS  22   3.976   2.894   0.164
  166    HB3  CYS  22           1HB      CYS  22   2.780   1.847  -0.600
  167    H    ASN  23           H        ASN  23   3.852   5.012   0.386
  168    HA   ASN  23           HA       ASN  23   1.289   5.606   1.446
  169    HB2  ASN  23           2HB      ASN  23   2.571   7.234   2.882
  170    HB3  ASN  23           1HB      ASN  23   3.144   5.569   2.939
  171   HD21  ASN  23          1HD2      ASN  23   4.519   8.392   3.181
  172   HD22  ASN  23          2HD2      ASN  23   5.878   8.227   2.178
  173    H    TYR  24           H        TYR  24   3.580   7.567  -0.448
  174    HA   TYR  24           HA       TYR  24   2.099   9.965  -0.392
  175    HB2  TYR  24           2HB      TYR  24   4.263   8.837  -2.091
  176    HB3  TYR  24           1HB      TYR  24   3.354  10.204  -2.735
  177    HD1  TYR  24           1HD      TYR  24   5.105   9.071   0.379
  178    HD2  TYR  24           2HD      TYR  24   3.913  12.383  -2.084
  179    HE1  TYR  24           1HE      TYR  24   6.382  10.618   1.839
  180    HE2  TYR  24           2HE      TYR  24   5.190  13.928  -0.625
  181    HH   TYR  24           HH       TYR  24   6.598  12.859   2.397
  182    H    ASP  25           H        ASP  25   2.239   7.436  -2.904
  183    HA   ASP  25           HA       ASP  25   0.239   8.553  -4.558
  184    HB2  ASP  25           2HB      ASP  25   1.128   5.679  -4.263
  185    HB3  ASP  25           1HB      ASP  25   0.141   6.304  -5.584
  186    H    CYS  26           H        CYS  26   0.067   6.082  -2.000
  187    HA   CYS  26           HA       CYS  26  -2.694   5.528  -2.296
  188    HB2  CYS  26           2HB      CYS  26  -0.822   5.239   0.061
  189    HB3  CYS  26           1HB      CYS  26  -2.487   4.658   0.066
  190    H    LYS  27           H        LYS  27  -0.918   7.826  -0.254
  191    HA   LYS  27           HA       LYS  27  -3.011   8.837   1.271
  192    HB2  LYS  27           2HB      LYS  27  -0.465  10.005   0.207
  193    HB3  LYS  27           1HB      LYS  27  -1.625  11.059   1.018
  194    HG2  LYS  27           2HG      LYS  27  -1.465   9.872   3.050
  195    HG3  LYS  27           1HG      LYS  27  -0.760   8.457   2.271
  196    HD2  LYS  27           2HD      LYS  27   0.952   9.733   3.518
  197    HD3  LYS  27           1HD      LYS  27   1.292   9.735   1.787
  198    HE2  LYS  27           2HE      LYS  27   1.495  11.993   2.969
  199    HE3  LYS  27           1HE      LYS  27   0.476  11.963   1.529
  200    HZ1  LYS  27           3HZ      LYS  27  -0.397  13.049   3.691
  201    HZ2  LYS  27           1HZ      LYS  27  -0.713  11.454   4.171
  202    HZ3  LYS  27           2HZ      LYS  27  -1.438  12.077   2.768
  203    H    LEU  28           H        LEU  28  -1.921   9.805  -1.962
  204    HA   LEU  28           HA       LEU  28  -3.921  11.806  -2.344
  205    HB2  LEU  28           2HB      LEU  28  -2.276  10.287  -4.385
  206    HB3  LEU  28           1HB      LEU  28  -3.191  11.764  -4.686
  207    HG   LEU  28           HG       LEU  28  -1.031  11.592  -2.576
  208   HD11  LEU  28          1HD1      LEU  28  -0.833  12.507  -5.462
  209   HD12  LEU  28          2HD1      LEU  28  -0.012  11.118  -4.751
  210   HD13  LEU  28          3HD1      LEU  28   0.415  12.751  -4.241
  211   HD21  LEU  28          3HD2      LEU  28  -1.088  14.136  -3.127
  212   HD22  LEU  28          1HD2      LEU  28  -2.406  13.469  -2.163
  213   HD23  LEU  28          2HD2      LEU  28  -2.642  13.786  -3.881
  214    H    ASP  29           H        ASP  29  -3.692   8.369  -3.091
  215    HA   ASP  29           HA       ASP  29  -6.246   8.453  -4.523
  216    HB2  ASP  29           2HB      ASP  29  -4.180   6.285  -4.153
  217    HB3  ASP  29           1HB      ASP  29  -5.701   6.053  -5.015
  218    H    LYS  30           H        LYS  30  -4.831   6.290  -2.035
  219    HA   LYS  30           HA       LYS  30  -7.556   5.588  -1.229
  220    HB2  LYS  30           2HB      LYS  30  -4.995   4.351  -0.233
  221    HB3  LYS  30           1HB      LYS  30  -6.617   3.655  -0.234
  222    HG2  LYS  30           2HG      LYS  30  -4.929   4.296  -2.670
  223    HG3  LYS  30           1HG      LYS  30  -5.355   2.691  -2.078
  224    HD2  LYS  30           2HD      LYS  30  -7.799   3.384  -2.368
  225    HD3  LYS  30           1HD      LYS  30  -7.194   4.773  -3.272
  226    HE2  LYS  30           2HE      LYS  30  -6.580   1.878  -3.928
  227    HE3  LYS  30           1HE      LYS  30  -7.769   2.873  -4.767
  228    HZ1  LYS  30           3HZ      LYS  30  -5.197   4.124  -4.551
  229    HZ2  LYS  30           1HZ      LYS  30  -6.186   3.912  -5.913
  230    HZ3  LYS  30           2HZ      LYS  30  -5.146   2.663  -5.417
  231    H    HIS  31           H        HIS  31  -5.392   7.886  -0.278
  232    HA   HIS  31           HA       HIS  31  -5.240   9.208   1.601
  233    HB2  HIS  31           2HB      HIS  31  -7.702   7.806   2.627
  234    HB3  HIS  31           1HB      HIS  31  -7.181   9.466   2.916
  235    HD2  HIS  31           2HD      HIS  31  -9.136   7.419   0.227
  236    HE1  HIS  31           1HE      HIS  31  -8.913  11.412  -1.127
  237    HE2  HIS  31           2HE      HIS  31  -9.968   9.141  -1.551
  238    H    ALA  32           H        ALA  32  -3.854   6.661   1.578
  239    HA   ALA  32           HA       ALA  32  -4.119   5.360   4.102
  240    HB1  ALA  32           1HB      ALA  32  -3.044   4.207   2.256
  241    HB2  ALA  32           2HB      ALA  32  -1.872   4.411   3.558
  242    HB3  ALA  32           3HB      ALA  32  -1.810   5.464   2.143
  243    H    ARG  33           H        ARG  33  -2.666   5.489   5.913
  244    HA   ARG  33           HA       ARG  33  -1.879   8.233   6.461
  245    HB2  ARG  33           2HB      ARG  33  -1.690   5.775   8.213
  246    HB3  ARG  33           1HB      ARG  33  -1.474   7.446   8.734
  247    HG2  ARG  33           2HG      ARG  33  -4.007   6.513   7.377
  248    HG3  ARG  33           1HG      ARG  33  -3.796   6.421   9.126
  249    HD2  ARG  33           2HD      ARG  33  -3.180   8.897   9.044
  250    HD3  ARG  33           1HD      ARG  33  -3.768   8.892   7.384
  251    HE   ARG  33           HE       ARG  33  -5.377   8.911   9.746
  252   HH11  ARG  33          1HH2      ARG  33  -5.142   7.682   6.520
  253   HH12  ARG  33          2HH2      ARG  33  -6.854   7.545   6.298
  254   HH21  ARG  33          1HH1      ARG  33  -7.626   8.735   9.463
  255   HH22  ARG  33          2HH1      ARG  33  -8.260   8.141   7.964
  256    H    SER  34           H        SER  34  -0.267   5.049   6.445
  257    HA   SER  34           HA       SER  34   2.304   6.473   6.101
  258    HB2  SER  34           2HB      SER  34   2.101   3.875   7.581
  259    HB3  SER  34           1HB      SER  34   3.362   5.103   7.659
  260    HG   SER  34           HG       SER  34   1.302   6.398   8.381
  261    H    GLY  35           H        GLY  35   0.159   4.406   4.671
  262    HA2  GLY  35           2HA      GLY  35   0.294   2.893   2.941
  263    HA3  GLY  35           1HA      GLY  35   1.799   3.708   2.525
  264    H    GLU  36           H        GLU  36   0.838   0.776   2.699
  265    HA   GLU  36           HA       GLU  36   3.332  -0.218   3.876
  266    HB2  GLU  36           2HB      GLU  36   0.633  -1.408   4.561
  267    HB3  GLU  36           1HB      GLU  36   2.205  -1.968   5.134
  268    HG2  GLU  36           2HG      GLU  36   1.004   0.764   5.682
  269    HG3  GLU  36           1HG      GLU  36   1.080  -0.568   6.834
  270    H    CYS  37           H        CYS  37   4.225  -1.051   2.082
  271    HA   CYS  37           HA       CYS  37   2.540  -2.710   0.313
  272    HB2  CYS  37           2HB      CYS  37   4.970  -1.022  -0.131
  273    HB3  CYS  37           1HB      CYS  37   4.663  -2.392  -1.199
  274    H    PHE  38           H        PHE  38   2.929  -4.825   0.088
  275    HA   PHE  38           HA       PHE  38   5.453  -5.916   1.174
  276    HB2  PHE  38           2HB      PHE  38   2.731  -7.217   1.417
  277    HB3  PHE  38           1HB      PHE  38   4.252  -7.808   2.086
  278    HD1  PHE  38           2HD      PHE  38   5.294  -6.728   4.014
  279    HD2  PHE  38           1HD      PHE  38   1.590  -5.286   2.386
  280    HE1  PHE  38           2HE      PHE  38   4.933  -5.360   6.049
  281    HE2  PHE  38           1HE      PHE  38   1.229  -3.918   4.424
  282    HZ   PHE  38           HZ       PHE  38   2.901  -3.955   6.255
  283    H    TYR  39           H        TYR  39   6.010  -8.051   0.280
  284    HA   TYR  39           HA       TYR  39   5.346  -8.156  -2.574
  285    HB2  TYR  39           2HB      TYR  39   7.460  -9.598  -0.953
  286    HB3  TYR  39           1HB      TYR  39   7.247  -9.748  -2.698
  287    HD1  TYR  39           1HD      TYR  39   7.937  -7.294   0.025
  288    HD2  TYR  39           2HD      TYR  39   8.136  -8.129  -4.184
  289    HE1  TYR  39           1HE      TYR  39   9.288  -5.244  -0.318
  290    HE2  TYR  39           2HE      TYR  39   9.488  -6.079  -4.526
  291    HH   TYR  39           HH       TYR  39  10.200  -3.875  -1.824
  292    H    ASP  40           H        ASP  40   4.114  -9.705  -3.459
  293    HA   ASP  40           HA       ASP  40   3.066 -11.801  -1.675
  294    HB2  ASP  40           2HB      ASP  40   1.253 -12.016  -3.314
  295    HB3  ASP  40           1HB      ASP  40   1.406 -10.348  -2.766
  296    H    GLU  41           H        GLU  41   2.324 -13.791  -3.172
  297    HA   GLU  41           HA       GLU  41   4.718 -15.116  -3.912
  298    HB2  GLU  41           2HB      GLU  41   1.835 -15.825  -4.503
  299    HB3  GLU  41           1HB      GLU  41   3.210 -16.909  -4.714
  300    HG2  GLU  41           2HG      GLU  41   2.449 -15.603  -2.086
  301    HG3  GLU  41           1HG      GLU  41   2.023 -17.253  -2.540
  302    H    LYS  42           H        LYS  42   2.362 -13.253  -5.691
  303    HA   LYS  42           HA       LYS  42   3.275 -14.122  -8.293
  304    HB2  LYS  42           2HB      LYS  42   1.556 -11.740  -7.562
  305    HB3  LYS  42           1HB      LYS  42   1.733 -12.458  -9.163
  306    HG2  LYS  42           2HG      LYS  42   0.676 -14.498  -8.453
  307    HG3  LYS  42           1HG      LYS  42   0.708 -13.993  -6.762
  308    HD2  LYS  42           2HD      LYS  42  -1.538 -13.682  -7.771
  309    HD3  LYS  42           1HD      LYS  42  -0.831 -12.148  -7.262
  310    HE2  LYS  42           2HE      LYS  42  -1.913 -12.296  -9.632
  311    HE3  LYS  42           1HE      LYS  42  -0.353 -11.492  -9.465
  312    HZ1  LYS  42           3HZ      LYS  42  -0.765 -13.368 -11.247
  313    HZ2  LYS  42           1HZ      LYS  42  -0.347 -14.372  -9.946
  314    HZ3  LYS  42           2HZ      LYS  42   0.739 -13.181 -10.480
  315    H    ARG  43           H        ARG  43   4.879 -12.503  -6.071
  316    HA   ARG  43           HA       ARG  43   6.652 -11.045  -6.088
  317    HB2  ARG  43           2HB      ARG  43   6.519 -11.202  -9.104
  318    HB3  ARG  43           1HB      ARG  43   7.921 -10.817  -8.103
  319    HG2  ARG  43           2HG      ARG  43   8.074 -13.049  -7.279
  320    HG3  ARG  43           1HG      ARG  43   6.471 -13.462  -7.890
  321    HD2  ARG  43           2HD      ARG  43   8.916 -12.822  -9.564
  322    HD3  ARG  43           1HD      ARG  43   8.179 -14.408  -9.362
  323    HE   ARG  43           HE       ARG  43   6.253 -12.561 -10.341
  324   HH11  ARG  43          1HH2      ARG  43   9.082 -14.341 -11.240
  325   HH12  ARG  43          2HH2      ARG  43   8.654 -14.440 -12.917
  326   HH21  ARG  43          1HH1      ARG  43   5.687 -12.686 -12.536
  327   HH22  ARG  43          2HH1      ARG  43   6.732 -13.503 -13.650
  328    H    ASN  44           H        ASN  44   3.690 -10.259  -6.724
  329    HA   ASN  44           HA       ASN  44   4.116  -7.610  -7.890
  330    HB2  ASN  44           2HB      ASN  44   1.950  -9.432  -7.823
  331    HB3  ASN  44           1HB      ASN  44   1.447  -8.016  -6.902
  332   HD21  ASN  44          1HD2      ASN  44   0.112  -6.966  -8.442
  333   HD22  ASN  44          2HD2      ASN  44   0.659  -6.462  -9.967
  334    H    LEU  45           H        LEU  45   3.600  -5.680  -6.788
  335    HA   LEU  45           HA       LEU  45   4.120  -5.805  -3.927
  336    HB2  LEU  45           2HB      LEU  45   3.661  -3.363  -5.652
  337    HB3  LEU  45           1HB      LEU  45   4.413  -3.419  -4.058
  338    HG   LEU  45           HG       LEU  45   5.501  -4.824  -6.515
  339   HD11  LEU  45          1HD1      LEU  45   7.337  -3.015  -6.155
  340   HD12  LEU  45          2HD1      LEU  45   6.091  -2.149  -5.256
  341   HD13  LEU  45          3HD1      LEU  45   5.842  -2.536  -6.959
  342   HD21  LEU  45          3HD2      LEU  45   6.301  -5.989  -4.629
  343   HD22  LEU  45          1HD2      LEU  45   6.395  -4.525  -3.650
  344   HD23  LEU  45          2HD2      LEU  45   7.574  -4.806  -4.932
  345    H    GLN  46           H        GLN  46   2.405  -6.297  -2.694
  346    HA   GLN  46           HA       GLN  46  -0.283  -5.542  -3.409
  347    HB2  GLN  46           2HB      GLN  46   0.905  -6.841  -0.951
  348    HB3  GLN  46           1HB      GLN  46  -0.820  -6.522  -1.143
  349    HG2  GLN  46           2HG      GLN  46   0.819  -8.109  -3.135
  350    HG3  GLN  46           1HG      GLN  46  -0.109  -8.847  -1.831
  351   HE21  GLN  46          1HE2      GLN  46  -0.346  -8.254  -5.055
  352   HE22  GLN  46          2HE2      GLN  46  -2.023  -8.041  -5.195
  353    H    CYS  47           H        CYS  47  -0.993  -3.526  -3.180
  354    HA   CYS  47           HA       CYS  47   0.221  -1.683  -1.308
  355    HB2  CYS  47           2HB      CYS  47  -2.279  -1.207  -2.926
  356    HB3  CYS  47           1HB      CYS  47  -1.121  -0.018  -2.326
  357    H    ILE  48           H        ILE  48  -0.239  -2.154   0.789
  358    HA   ILE  48           HA       ILE  48  -3.067  -2.578   1.521
  359    HB   ILE  48           HB       ILE  48  -0.610  -3.111   3.204
  360   HG12  ILE  48          2HG1      ILE  48  -2.250  -4.951   1.432
  361   HG13  ILE  48          1HG1      ILE  48  -0.538  -4.564   1.255
  362   HG21  ILE  48          1HG2      ILE  48  -3.433  -4.175   3.467
  363   HG22  ILE  48          2HG2      ILE  48  -2.867  -2.736   4.315
  364   HG23  ILE  48          3HG2      ILE  48  -2.121  -4.300   4.640
  365   HD11  ILE  48          3HD1      ILE  48  -0.475  -6.629   2.363
  366   HD12  ILE  48          1HD1      ILE  48  -1.883  -6.249   3.355
  367   HD13  ILE  48          2HD1      ILE  48  -0.332  -5.481   3.692
  368    H    CYS  49           H        CYS  49  -3.947  -0.612   1.879
  369    HA   CYS  49           HA       CYS  49  -2.500   1.586   3.016
  370    HB2  CYS  49           2HB      CYS  49  -5.484   1.201   2.706
  371    HB3  CYS  49           1HB      CYS  49  -4.659   2.726   3.023
  372    H    ASP  50           H        ASP  50  -2.213   2.111   5.094
  373    HA   ASP  50           HA       ASP  50  -3.626   0.502   7.132
  374    HB2  ASP  50           2HB      ASP  50  -1.758   0.880   8.587
  375    HB3  ASP  50           1HB      ASP  50  -1.110   0.379   7.025
  376    H    TYR  51           H        TYR  51  -4.600   1.489   8.890
  377    HA   TYR  51           HA       TYR  51  -4.891   4.427   8.690
  378    HB2  TYR  51           2HB      TYR  51  -6.803   2.320   9.719
  379    HB3  TYR  51           1HB      TYR  51  -7.013   4.040  10.034
  380    HD1  TYR  51           1HD      TYR  51  -6.174   1.837   7.112
  381    HD2  TYR  51           2HD      TYR  51  -8.428   5.180   8.591
  382    HE1  TYR  51           1HE      TYR  51  -7.222   2.115   4.883
  383    HE2  TYR  51           2HE      TYR  51  -9.476   5.460   6.360
  384    HH   TYR  51           HH       TYR  51  -8.521   3.409   3.614
  385    H    CYS  52           H        CYS  52  -3.183   5.025  10.003
  386    HA   CYS  52           HA       CYS  52  -2.294   5.674  12.027
  387    HB2  CYS  52           2HB      CYS  52  -4.380   4.100  13.497
  388    HB3  CYS  52           1HB      CYS  52  -3.614   5.626  13.943
  389    H    GLU  53           H        GLU  53  -3.666   2.490  12.875
  390    HA   GLU  53           HA       GLU  53  -1.231   1.647  14.114
  391    HB2  GLU  53           2HB      GLU  53  -3.721   0.111  13.340
  392    HB3  GLU  53           1HB      GLU  53  -2.394  -0.557  14.292
  393    HG2  GLU  53           2HG      GLU  53  -3.933   0.193  15.920
  394    HG3  GLU  53           1HG      GLU  53  -2.736   1.484  15.842
  395    H    TYR  54           H        TYR  54   0.543   1.070  13.059
  396    HA   TYR  54           HA       TYR  54   0.720   0.517  10.317
  397    HB2  TYR  54           2HB      TYR  54   2.573  -0.278  12.574
  398    HB3  TYR  54           1HB      TYR  54   2.977  -0.386  10.860
  399    HD1  TYR  54           1HD      TYR  54   2.173   1.933  13.635
  400    HD2  TYR  54           2HD      TYR  54   3.482   1.580   9.560
  401    HE1  TYR  54           1HE      TYR  54   2.820   4.328  13.635
  402    HE2  TYR  54           2HE      TYR  54   4.128   3.974   9.559
  403    HH   TYR  54           HH       TYR  54   3.541   6.036  10.790
  Start of MODEL    6
    1    H1   ASP   2           H        ASP   2  -7.645  -8.573  11.900
    2    HA   ASP   2           HA       ASP   2  -5.246  -6.879  11.528
    3    HB2  ASP   2           2HB      ASP   2  -5.463  -7.346   9.128
    4    HB3  ASP   2           1HB      ASP   2  -5.309  -8.842  10.048
    5    H    LYS   3           H        LYS   3  -7.058  -5.492  12.785
    6    HA   LYS   3           HA       LYS   3  -9.013  -4.285  11.025
    7    HB2  LYS   3           2HB      LYS   3  -8.124  -3.342  13.759
    8    HB3  LYS   3           1HB      LYS   3  -9.630  -2.950  12.929
    9    HG2  LYS   3           2HG      LYS   3  -8.804  -5.742  13.774
   10    HG3  LYS   3           1HG      LYS   3  -9.937  -4.718  14.657
   11    HD2  LYS   3           2HD      LYS   3 -11.233  -4.565  12.423
   12    HD3  LYS   3           1HD      LYS   3 -10.263  -5.951  11.923
   13    HE2  LYS   3           2HE      LYS   3 -12.241  -5.771  14.196
   14    HE3  LYS   3           1HE      LYS   3 -12.214  -6.916  12.856
   15    HZ1  LYS   3           3HZ      LYS   3 -11.303  -8.194  14.478
   16    HZ2  LYS   3           1HZ      LYS   3 -10.620  -6.881  15.306
   17    HZ3  LYS   3           2HZ      LYS   3  -9.880  -7.471  13.895
   18    H    CYS   4           H        CYS   4  -9.070  -1.933  10.661
   19    HA   CYS   4           HA       CYS   4  -8.147   0.062   9.978
   20    HB2  CYS   4           2HB      CYS   4  -5.489  -0.670  11.145
   21    HB3  CYS   4           1HB      CYS   4  -6.293   0.897  11.090
   22    H    LYS   5           H        LYS   5  -6.926  -2.993   9.222
   23    HA   LYS   5           HA       LYS   5  -5.166  -1.975   7.098
   24    HB2  LYS   5           2HB      LYS   5  -5.651  -4.816   8.024
   25    HB3  LYS   5           1HB      LYS   5  -4.445  -4.299   6.846
   26    HG2  LYS   5           2HG      LYS   5  -4.538  -3.220   9.672
   27    HG3  LYS   5           1HG      LYS   5  -3.585  -4.634   9.220
   28    HD2  LYS   5           2HD      LYS   5  -2.611  -3.110   7.354
   29    HD3  LYS   5           1HD      LYS   5  -3.252  -1.779   8.318
   30    HE2  LYS   5           2HE      LYS   5  -1.357  -3.917   9.339
   31    HE3  LYS   5           1HE      LYS   5  -0.894  -2.272   8.903
   32    HZ1  LYS   5           3HZ      LYS   5  -1.545  -2.950  11.360
   33    HZ2  LYS   5           1HZ      LYS   5  -3.098  -2.580  10.788
   34    HZ3  LYS   5           2HZ      LYS   5  -1.871  -1.405  10.731
   35    H    LYS   6           H        LYS   6  -5.653  -2.105   4.981
   36    HA   LYS   6           HA       LYS   6  -7.816  -3.831   4.059
   37    HB2  LYS   6           2HB      LYS   6  -7.900  -0.813   3.823
   38    HB3  LYS   6           1HB      LYS   6  -8.868  -1.890   2.816
   39    HG2  LYS   6           2HG      LYS   6  -9.695  -2.946   5.000
   40    HG3  LYS   6           1HG      LYS   6  -8.981  -1.555   5.817
   41    HD2  LYS   6           2HD      LYS   6 -10.956  -1.293   3.538
   42    HD3  LYS   6           1HD      LYS   6 -11.441  -1.310   5.234
   43    HE2  LYS   6           2HE      LYS   6  -9.800   0.595   5.604
   44    HE3  LYS   6           1HE      LYS   6  -9.643   0.694   3.850
   45    HZ1  LYS   6           3HZ      LYS   6 -11.873   1.435   5.560
   46    HZ2  LYS   6           1HZ      LYS   6 -12.284   0.678   4.099
   47    HZ3  LYS   6           2HZ      LYS   6 -11.362   2.106   4.086
   48    H    VAL   7           H        VAL   7  -7.084  -4.808   2.297
   49    HA   VAL   7           HA       VAL   7  -4.758  -3.778   0.906
   50    HB   VAL   7           HB       VAL   7  -4.831  -6.145   1.328
   51   HG11  VAL   7          1HG1      VAL   7  -7.214  -6.485   1.554
   52   HG12  VAL   7          2HG1      VAL   7  -6.644  -7.531   0.254
   53   HG13  VAL   7          3HG1      VAL   7  -7.486  -6.029  -0.129
   54   HG21  VAL   7          3HG2      VAL   7  -4.376  -6.956  -0.868
   55   HG22  VAL   7          1HG2      VAL   7  -3.987  -5.236  -0.923
   56   HG23  VAL   7          2HG2      VAL   7  -5.509  -5.819  -1.602
   57    H    TYR   8           H        TYR   8  -4.649  -3.025  -1.158
   58    HA   TYR   8           HA       TYR   8  -7.232  -2.506  -2.503
   59    HB2  TYR   8           2HB      TYR   8  -4.778  -0.846  -2.136
   60    HB3  TYR   8           1HB      TYR   8  -5.681  -0.670  -3.641
   61    HD1  TYR   8           2HD      TYR   8  -7.979   0.171  -3.651
   62    HD2  TYR   8           1HD      TYR   8  -5.779  -0.251   0.015
   63    HE1  TYR   8           2HE      TYR   8  -9.668   1.556  -2.478
   64    HE2  TYR   8           1HE      TYR   8  -7.469   1.134   1.188
   65    HH   TYR   8           HH       TYR   8  -9.284   3.105   0.129
   66    H    GLU   9           H        GLU   9  -7.200  -4.450  -3.685
   67    HA   GLU   9           HA       GLU   9  -4.985  -5.224  -5.320
   68    HB2  GLU   9           2HB      GLU   9  -7.905  -6.005  -5.482
   69    HB3  GLU   9           1HB      GLU   9  -6.583  -6.807  -6.331
   70    HG2  GLU   9           2HG      GLU   9  -6.747  -8.143  -4.438
   71    HG3  GLU   9           1HG      GLU   9  -5.540  -6.971  -3.911
   72    H    ASN  10           H        ASN  10  -5.087  -5.353  -7.693
   73    HA   ASN  10           HA       ASN  10  -5.378  -4.432  -9.783
   74    HB2  ASN  10           2HB      ASN  10  -7.621  -2.720  -8.766
   75    HB3  ASN  10           1HB      ASN  10  -7.423  -3.470 -10.348
   76   HD21  ASN  10          1HD2      ASN  10  -9.855  -3.903  -9.115
   77   HD22  ASN  10          2HD2      ASN  10  -9.948  -5.492  -8.523
   78    H    TYR  11           H        TYR  11  -4.448  -2.888  -7.053
   79    HA   TYR  11           HA       TYR  11  -3.941  -0.358  -8.484
   80    HB2  TYR  11           2HB      TYR  11  -4.507  -0.993  -5.640
   81    HB3  TYR  11           1HB      TYR  11  -3.373   0.322  -5.960
   82    HD1  TYR  11           2HD      TYR  11  -4.082   2.347  -7.140
   83    HD2  TYR  11           1HD      TYR  11  -6.842  -0.852  -6.359
   84    HE1  TYR  11           2HE      TYR  11  -5.978   3.845  -7.700
   85    HE2  TYR  11           1HE      TYR  11  -8.736   0.648  -6.922
   86    HH   TYR  11           HH       TYR  11  -8.453   3.971  -7.126
   87    HA   PRO  12           HA       PRO  12   0.156  -2.308  -6.315
   88    HB2  PRO  12           2HB      PRO  12  -0.108  -4.531  -8.323
   89    HB3  PRO  12           1HB      PRO  12   0.619  -4.568  -6.706
   90    HG2  PRO  12           2HG      PRO  12  -1.790  -5.625  -7.164
   91    HG3  PRO  12           1HG      PRO  12  -1.420  -4.787  -5.647
   92    HD2  PRO  12           2HD      PRO  12  -3.114  -3.870  -7.918
   93    HD3  PRO  12           1HD      PRO  12  -3.189  -3.413  -6.200
   94    H    VAL  13           H        VAL  13   1.736  -1.068  -7.247
   95    HA   VAL  13           HA       VAL  13   1.954  -1.070 -10.196
   96    HB   VAL  13           HB       VAL  13   2.383   1.379  -8.492
   97   HG11  VAL  13          1HG1      VAL  13   2.384   2.548 -10.562
   98   HG12  VAL  13          2HG1      VAL  13   1.717   1.165 -11.431
   99   HG13  VAL  13          3HG1      VAL  13   3.379   1.120 -10.840
  100   HG21  VAL  13          3HG2      VAL  13   0.112   1.157  -8.150
  101   HG22  VAL  13          1HG2      VAL  13  -0.121   0.197  -9.611
  102   HG23  VAL  13          2HG2      VAL  13   0.080   1.945  -9.727
  103    H    SER  14           H        SER  14   4.000  -1.063 -11.028
  104    HA   SER  14           HA       SER  14   6.162  -2.019  -9.568
  105    HB2  SER  14           2HB      SER  14   5.975  -1.923 -12.084
  106    HB3  SER  14           1HB      SER  14   6.364  -0.208 -11.986
  107    HG   SER  14           HG       SER  14   7.941  -2.455 -11.345
  108    H    LYS  15           H        LYS  15   4.965   1.231 -10.008
  109    HA   LYS  15           HA       LYS  15   7.221   2.660  -9.057
  110    HB2  LYS  15           2HB      LYS  15   4.273   3.358  -8.992
  111    HB3  LYS  15           1HB      LYS  15   5.580   4.486  -8.633
  112    HG2  LYS  15           2HG      LYS  15   6.524   4.045 -10.906
  113    HG3  LYS  15           1HG      LYS  15   5.117   3.042 -11.258
  114    HD2  LYS  15           2HD      LYS  15   3.653   5.017 -10.756
  115    HD3  LYS  15           1HD      LYS  15   5.109   5.999 -10.589
  116    HE2  LYS  15           2HE      LYS  15   4.338   4.445 -13.078
  117    HE3  LYS  15           1HE      LYS  15   4.127   6.183 -12.863
  118    HZ1  LYS  15           3HZ      LYS  15   6.243   5.274 -14.016
  119    HZ2  LYS  15           1HZ      LYS  15   6.773   4.978 -12.431
  120    HZ3  LYS  15           2HZ      LYS  15   6.375   6.558 -12.912
  121    H    CYS  16           H        CYS  16   4.701   0.851  -7.494
  122    HA   CYS  16           HA       CYS  16   4.853   2.001  -4.913
  123    HB2  CYS  16           2HB      CYS  16   4.125  -0.834  -5.700
  124    HB3  CYS  16           1HB      CYS  16   3.780  -0.071  -4.148
  125    H    GLN  17           H        GLN  17   6.912  -0.182  -6.644
  126    HA   GLN  17           HA       GLN  17   8.226  -1.617  -4.716
  127    HB2  GLN  17           2HB      GLN  17  10.161  -1.605  -6.148
  128    HB3  GLN  17           1HB      GLN  17   8.735  -1.591  -7.189
  129    HG2  GLN  17           2HG      GLN  17   8.960   0.977  -7.154
  130    HG3  GLN  17           1HG      GLN  17  10.580   0.699  -6.516
  131   HE21  GLN  17          1HE2      GLN  17  11.837   1.249  -8.355
  132   HE22  GLN  17          2HE2      GLN  17  11.702   0.456  -9.850
  133    H    LEU  18           H        LEU  18   7.950   1.757  -4.934
  134    HA   LEU  18           HA       LEU  18  10.237   2.194  -3.122
  135    HB2  LEU  18           2HB      LEU  18   8.549   4.227  -4.606
  136    HB3  LEU  18           1HB      LEU  18   9.999   4.563  -3.661
  137    HG   LEU  18           HG       LEU  18   9.880   2.810  -6.133
  138   HD11  LEU  18          1HD1      LEU  18  11.338   4.670  -7.060
  139   HD12  LEU  18          2HD1      LEU  18  10.903   5.618  -5.639
  140   HD13  LEU  18          3HD1      LEU  18   9.656   5.117  -6.780
  141   HD21  LEU  18          3HD2      LEU  18  12.465   3.180  -5.820
  142   HD22  LEU  18          1HD2      LEU  18  11.648   1.938  -4.873
  143   HD23  LEU  18          2HD2      LEU  18  12.027   3.497  -4.142
  144    H    ALA  19           H        ALA  19   9.587   1.828  -1.071
  145    HA   ALA  19           HA       ALA  19   7.075   1.942   0.022
  146    HB1  ALA  19           1HB      ALA  19   9.120   1.151   1.202
  147    HB2  ALA  19           2HB      ALA  19   8.135   2.233   2.186
  148    HB3  ALA  19           3HB      ALA  19   9.606   2.833   1.422
  149    H    ASN  20           H        ASN  20   8.916   4.550  -1.174
  150    HA   ASN  20           HA       ASN  20   7.667   6.602   0.444
  151    HB2  ASN  20           2HB      ASN  20   9.375   6.744  -2.052
  152    HB3  ASN  20           1HB      ASN  20   8.803   8.152  -1.159
  153   HD21  ASN  20          1HD2      ASN  20  11.610   6.795  -1.550
  154   HD22  ASN  20          2HD2      ASN  20  12.219   6.736   0.033
  155    H    GLN  21           H        GLN  21   7.488   5.541  -2.949
  156    HA   GLN  21           HA       GLN  21   5.430   7.279  -3.766
  157    HB2  GLN  21           2HB      GLN  21   6.214   4.522  -4.743
  158    HB3  GLN  21           1HB      GLN  21   5.042   5.557  -5.558
  159    HG2  GLN  21           2HG      GLN  21   7.861   6.449  -4.915
  160    HG3  GLN  21           1HG      GLN  21   7.414   5.706  -6.451
  161   HE21  GLN  21          1HE2      GLN  21   8.328   8.521  -5.960
  162   HE22  GLN  21          2HE2      GLN  21   7.079   9.510  -6.545
  163    H    CYS  22           H        CYS  22   5.376   4.104  -2.241
  164    HA   CYS  22           HA       CYS  22   2.712   3.403  -2.567
  165    HB2  CYS  22           2HB      CYS  22   4.535   2.901  -0.207
  166    HB3  CYS  22           1HB      CYS  22   2.998   2.080  -0.485
  167    H    ASN  23           H        ASN  23   4.087   4.989   0.330
  168    HA   ASN  23           HA       ASN  23   1.548   5.471   1.500
  169    HB2  ASN  23           2HB      ASN  23   2.707   6.593   3.210
  170    HB3  ASN  23           1HB      ASN  23   3.833   5.360   2.647
  171   HD21  ASN  23          1HD2      ASN  23   4.084   8.316   3.771
  172   HD22  ASN  23          2HD2      ASN  23   5.230   8.999   2.720
  173    H    TYR  24           H        TYR  24   3.735   7.553  -0.377
  174    HA   TYR  24           HA       TYR  24   2.219   9.929  -0.100
  175    HB2  TYR  24           2HB      TYR  24   4.410   8.973  -1.847
  176    HB3  TYR  24           1HB      TYR  24   3.436  10.304  -2.472
  177    HD1  TYR  24           2HD      TYR  24   3.356  12.464  -1.324
  178    HD2  TYR  24           1HD      TYR  24   5.750   9.230   0.182
  179    HE1  TYR  24           2HE      TYR  24   4.545  14.042   0.175
  180    HE2  TYR  24           1HE      TYR  24   6.938  10.809   1.680
  181    HH   TYR  24           HH       TYR  24   5.893  13.621   2.588
  182    H    ASP  25           H        ASP  25   2.389   7.599  -2.798
  183    HA   ASP  25           HA       ASP  25   0.360   8.788  -4.352
  184    HB2  ASP  25           2HB      ASP  25   1.242   5.898  -4.265
  185    HB3  ASP  25           1HB      ASP  25   0.303   6.645  -5.555
  186    H    CYS  26           H        CYS  26   0.231   6.158  -1.957
  187    HA   CYS  26           HA       CYS  26  -2.481   5.498  -2.281
  188    HB2  CYS  26           2HB      CYS  26  -0.623   5.308   0.092
  189    HB3  CYS  26           1HB      CYS  26  -2.277   4.699   0.132
  190    H    LYS  27           H        LYS  27  -0.903   7.894  -0.186
  191    HA   LYS  27           HA       LYS  27  -3.150   8.776   1.229
  192    HB2  LYS  27           2HB      LYS  27  -0.592  10.111   0.377
  193    HB3  LYS  27           1HB      LYS  27  -1.836  11.014   1.239
  194    HG2  LYS  27           2HG      LYS  27  -1.663   9.659   3.159
  195    HG3  LYS  27           1HG      LYS  27  -0.861   8.358   2.278
  196    HD2  LYS  27           2HD      LYS  27   0.773   9.550   3.656
  197    HD3  LYS  27           1HD      LYS  27   1.115   9.833   1.949
  198    HE2  LYS  27           2HE      LYS  27   0.159  12.018   2.018
  199    HE3  LYS  27           1HE      LYS  27  -0.582  11.721   3.591
  200    HZ1  LYS  27           3HZ      LYS  27   1.383  11.986   4.676
  201    HZ2  LYS  27           1HZ      LYS  27   1.665  13.027   3.367
  202    HZ3  LYS  27           2HZ      LYS  27   2.324  11.461   3.363
  203    H    LEU  28           H        LEU  28  -1.860   9.774  -1.911
  204    HA   LEU  28           HA       LEU  28  -3.797  11.815  -2.393
  205    HB2  LEU  28           2HB      LEU  28  -2.044  10.270  -4.321
  206    HB3  LEU  28           1HB      LEU  28  -2.953  11.730  -4.711
  207    HG   LEU  28           HG       LEU  28  -0.858  11.571  -2.527
  208   HD11  LEU  28          1HD1      LEU  28  -0.631  12.852  -5.264
  209   HD12  LEU  28          2HD1      LEU  28   0.030  11.264  -4.875
  210   HD13  LEU  28          3HD1      LEU  28   0.638  12.699  -4.050
  211   HD21  LEU  28          3HD2      LEU  28  -2.216  13.383  -1.969
  212   HD22  LEU  28          1HD2      LEU  28  -2.643  13.712  -3.648
  213   HD23  LEU  28          2HD2      LEU  28  -1.049  14.160  -3.039
  214    H    ASP  29           H        ASP  29  -3.500   8.423  -3.409
  215    HA   ASP  29           HA       ASP  29  -6.100   8.592  -4.750
  216    HB2  ASP  29           2HB      ASP  29  -3.957   6.467  -4.725
  217    HB3  ASP  29           1HB      ASP  29  -5.494   6.305  -5.574
  218    H    LYS  30           H        LYS  30  -4.511   6.224  -2.573
  219    HA   LYS  30           HA       LYS  30  -7.088   5.099  -1.904
  220    HB2  LYS  30           2HB      LYS  30  -4.275   4.475  -1.005
  221    HB3  LYS  30           1HB      LYS  30  -5.697   3.581  -0.462
  222    HG2  LYS  30           2HG      LYS  30  -6.250   2.976  -2.759
  223    HG3  LYS  30           1HG      LYS  30  -4.927   3.971  -3.368
  224    HD2  LYS  30           2HD      LYS  30  -3.357   2.527  -1.981
  225    HD3  LYS  30           1HD      LYS  30  -4.722   1.442  -1.719
  226    HE2  LYS  30           2HE      LYS  30  -3.625   0.541  -3.612
  227    HE3  LYS  30           1HE      LYS  30  -4.978   1.447  -4.288
  228    HZ1  LYS  30           3HZ      LYS  30  -2.563   2.984  -3.887
  229    HZ2  LYS  30           1HZ      LYS  30  -3.621   2.948  -5.212
  230    HZ3  LYS  30           2HZ      LYS  30  -2.429   1.750  -5.046
  231    H    HIS  31           H        HIS  31  -5.614   7.812  -0.788
  232    HA   HIS  31           HA       HIS  31  -5.861   9.094   1.112
  233    HB2  HIS  31           2HB      HIS  31  -8.231   7.304   1.668
  234    HB3  HIS  31           1HB      HIS  31  -7.989   8.967   2.203
  235    HD2  HIS  31           2HD      HIS  31  -7.760  10.813  -0.195
  236    HE1  HIS  31           1HE      HIS  31 -10.358   8.364  -2.450
  237    HE2  HIS  31           2HE      HIS  31  -9.262  10.652  -2.326
  238    H    ALA  32           H        ALA  32  -4.547   6.258   1.228
  239    HA   ALA  32           HA       ALA  32  -4.883   5.334   3.898
  240    HB1  ALA  32           1HB      ALA  32  -3.171   3.831   3.434
  241    HB2  ALA  32           2HB      ALA  32  -2.309   4.974   2.403
  242    HB3  ALA  32           3HB      ALA  32  -3.770   4.182   1.812
  243    H    ARG  33           H        ARG  33  -3.395   5.557   5.677
  244    HA   ARG  33           HA       ARG  33  -2.405   8.266   5.921
  245    HB2  ARG  33           2HB      ARG  33  -2.174   5.989   7.897
  246    HB3  ARG  33           1HB      ARG  33  -1.980   7.711   8.230
  247    HG2  ARG  33           2HG      ARG  33  -4.534   6.625   7.044
  248    HG3  ARG  33           1HG      ARG  33  -4.271   6.651   8.788
  249    HD2  ARG  33           2HD      ARG  33  -3.747   9.111   8.587
  250    HD3  ARG  33           1HD      ARG  33  -4.262   9.022   6.905
  251    HE   ARG  33           HE       ARG  33  -6.452   9.013   7.653
  252   HH11  ARG  33          1HH2      ARG  33  -4.291   8.065  10.184
  253   HH12  ARG  33          2HH2      ARG  33  -5.520   8.012  11.402
  254   HH21  ARG  33          1HH1      ARG  33  -8.071   8.947   9.248
  255   HH22  ARG  33          2HH1      ARG  33  -7.660   8.511  10.873
  256    H    SER  34           H        SER  34  -0.997   5.008   5.849
  257    HA   SER  34           HA       SER  34   1.650   6.267   5.451
  258    HB2  SER  34           2HB      SER  34   1.002   4.941   7.693
  259    HB3  SER  34           1HB      SER  34   1.523   3.583   6.700
  260    HG   SER  34           HG       SER  34   3.168   4.801   7.975
  261    H    GLY  35           H        GLY  35  -0.707   4.270   4.140
  262    HA2  GLY  35           2HA      GLY  35  -0.626   2.497   2.605
  263    HA3  GLY  35           1HA      GLY  35   0.278   3.729   1.732
  264    H    GLU  36           H        GLU  36   0.422   0.688   3.302
  265    HA   GLU  36           HA       GLU  36   3.364   0.616   3.001
  266    HB2  GLU  36           2HB      GLU  36   1.582  -1.088   4.762
  267    HB3  GLU  36           1HB      GLU  36   3.336  -1.234   4.633
  268    HG2  GLU  36           2HG      GLU  36   1.878   1.278   5.505
  269    HG3  GLU  36           1HG      GLU  36   2.621   0.121   6.607
  270    H    CYS  37           H        CYS  37   4.178  -0.684   1.484
  271    HA   CYS  37           HA       CYS  37   2.347  -2.584   0.159
  272    HB2  CYS  37           2HB      CYS  37   4.682  -0.963  -0.799
  273    HB3  CYS  37           1HB      CYS  37   4.193  -2.420  -1.664
  274    H    PHE  38           H        PHE  38   2.889  -4.698  -0.106
  275    HA   PHE  38           HA       PHE  38   5.506  -5.587   0.936
  276    HB2  PHE  38           2HB      PHE  38   2.832  -6.912   1.455
  277    HB3  PHE  38           1HB      PHE  38   4.403  -7.529   1.964
  278    HD1  PHE  38           1HD      PHE  38   1.933  -4.811   2.425
  279    HD2  PHE  38           2HD      PHE  38   5.590  -6.572   3.830
  280    HE1  PHE  38           1HE      PHE  38   1.828  -3.403   4.464
  281    HE2  PHE  38           2HE      PHE  38   5.485  -5.164   5.869
  282    HZ   PHE  38           HZ       PHE  38   3.604  -3.579   6.186
  283    H    TYR  39           H        TYR  39   6.099  -7.776   0.171
  284    HA   TYR  39           HA       TYR  39   5.364  -8.068  -2.645
  285    HB2  TYR  39           2HB      TYR  39   7.513  -9.419  -0.992
  286    HB3  TYR  39           1HB      TYR  39   7.276  -9.640  -2.725
  287    HD1  TYR  39           1HD      TYR  39   8.119  -7.155  -0.096
  288    HD2  TYR  39           2HD      TYR  39   8.007  -7.997  -4.306
  289    HE1  TYR  39           1HE      TYR  39   9.455  -5.114  -0.539
  290    HE2  TYR  39           2HE      TYR  39   9.341  -5.955  -4.750
  291    HH   TYR  39           HH       TYR  39   9.765  -3.749  -3.583
  292    H    ASP  40           H        ASP  40   4.096  -9.652  -3.402
  293    HA   ASP  40           HA       ASP  40   3.156 -11.691  -1.492
  294    HB2  ASP  40           2HB      ASP  40   1.241 -11.955  -2.993
  295    HB3  ASP  40           1HB      ASP  40   1.425 -10.268  -2.519
  296    H    GLU  41           H        GLU  41   2.286 -13.688  -2.974
  297    HA   GLU  41           HA       GLU  41   4.643 -15.052  -3.780
  298    HB2  GLU  41           2HB      GLU  41   1.730 -15.734  -4.236
  299    HB3  GLU  41           1HB      GLU  41   3.080 -16.834  -4.510
  300    HG2  GLU  41           2HG      GLU  41   2.468 -15.508  -1.854
  301    HG3  GLU  41           1HG      GLU  41   1.992 -17.152  -2.277
  302    H    LYS  42           H        LYS  42   2.214 -13.211  -5.492
  303    HA   LYS  42           HA       LYS  42   3.027 -14.110  -8.115
  304    HB2  LYS  42           2HB      LYS  42   1.364 -11.694  -7.371
  305    HB3  LYS  42           1HB      LYS  42   1.448 -12.478  -8.948
  306    HG2  LYS  42           2HG      LYS  42   0.614 -14.594  -7.824
  307    HG3  LYS  42           1HG      LYS  42   0.303 -13.616  -6.388
  308    HD2  LYS  42           2HD      LYS  42  -0.852 -13.072  -9.139
  309    HD3  LYS  42           1HD      LYS  42  -1.721 -13.847  -7.815
  310    HE2  LYS  42           2HE      LYS  42  -1.073 -11.735  -6.445
  311    HE3  LYS  42           1HE      LYS  42  -0.753 -11.001  -8.015
  312    HZ1  LYS  42           3HZ      LYS  42  -3.149 -12.194  -8.381
  313    HZ2  LYS  42           1HZ      LYS  42  -2.923 -10.553  -8.020
  314    HZ3  LYS  42           2HZ      LYS  42  -3.263 -11.657  -6.774
  315    H    ARG  43           H        ARG  43   4.725 -12.471  -5.977
  316    HA   ARG  43           HA       ARG  43   6.487 -11.004  -6.074
  317    HB2  ARG  43           2HB      ARG  43   6.303 -11.176  -9.080
  318    HB3  ARG  43           1HB      ARG  43   7.731 -10.880  -8.088
  319    HG2  ARG  43           2HG      ARG  43   6.148 -13.462  -8.250
  320    HG3  ARG  43           1HG      ARG  43   7.782 -13.189  -8.856
  321    HD2  ARG  43           2HD      ARG  43   6.833 -13.449  -6.024
  322    HD3  ARG  43           1HD      ARG  43   8.229 -14.188  -6.803
  323    HE   ARG  43           HE       ARG  43   8.298 -11.280  -6.494
  324   HH11  ARG  43          1HH2      ARG  43   9.203 -14.424  -5.367
  325   HH12  ARG  43          2HH2      ARG  43  10.537 -13.853  -4.421
  326   HH21  ARG  43          1HH1      ARG  43  10.045 -10.523  -5.255
  327   HH22  ARG  43          2HH1      ARG  43  11.014 -11.645  -4.358
  328    H    ASN  44           H        ASN  44   3.540 -10.199  -6.536
  329    HA   ASN  44           HA       ASN  44   3.940  -7.583  -7.808
  330    HB2  ASN  44           2HB      ASN  44   1.773  -9.406  -7.698
  331    HB3  ASN  44           1HB      ASN  44   1.277  -7.969  -6.805
  332   HD21  ASN  44          1HD2      ASN  44  -0.062  -6.950  -8.362
  333   HD22  ASN  44          2HD2      ASN  44   0.481  -6.479  -9.900
  334    H    LEU  45           H        LEU  45   3.391  -5.639  -6.728
  335    HA   LEU  45           HA       LEU  45   3.965  -5.718  -3.875
  336    HB2  LEU  45           2HB      LEU  45   3.414  -3.296  -5.599
  337    HB3  LEU  45           1HB      LEU  45   4.235  -3.340  -4.038
  338    HG   LEU  45           HG       LEU  45   5.228  -4.673  -6.576
  339   HD11  LEU  45          1HD1      LEU  45   5.531  -2.323  -6.831
  340   HD12  LEU  45          2HD1      LEU  45   7.084  -2.934  -6.263
  341   HD13  LEU  45          3HD1      LEU  45   5.991  -2.124  -5.141
  342   HD21  LEU  45          3HD2      LEU  45   7.348  -4.783  -5.060
  343   HD22  LEU  45          1HD2      LEU  45   6.066  -5.964  -4.795
  344   HD23  LEU  45          2HD2      LEU  45   6.211  -4.567  -3.728
  345    H    GLN  46           H        GLN  46   2.250  -6.303  -2.662
  346    HA   GLN  46           HA       GLN  46  -0.445  -5.507  -3.315
  347    HB2  GLN  46           2HB      GLN  46   0.770  -6.942  -0.948
  348    HB3  GLN  46           1HB      GLN  46  -0.954  -6.588  -1.083
  349    HG2  GLN  46           2HG      GLN  46   0.625  -8.106  -3.175
  350    HG3  GLN  46           1HG      GLN  46  -0.322  -8.881  -1.906
  351   HE21  GLN  46          1HE2      GLN  46  -0.559  -8.194  -5.089
  352   HE22  GLN  46          2HE2      GLN  46  -2.226  -7.896  -5.214
  353    H    CYS  47           H        CYS  47  -1.128  -3.496  -2.985
  354    HA   CYS  47           HA       CYS  47   0.143  -1.728  -1.094
  355    HB2  CYS  47           2HB      CYS  47  -2.418  -1.281  -2.640
  356    HB3  CYS  47           1HB      CYS  47  -1.371  -0.054  -1.927
  357    H    ILE  48           H        ILE  48  -0.191  -2.310   1.002
  358    HA   ILE  48           HA       ILE  48  -2.933  -2.873   1.896
  359    HB   ILE  48           HB       ILE  48  -0.367  -3.030   3.491
  360   HG12  ILE  48          2HG1      ILE  48  -1.855  -5.171   1.933
  361   HG13  ILE  48          1HG1      ILE  48  -0.240  -4.556   1.576
  362   HG21  ILE  48          1HG2      ILE  48  -2.573  -2.858   4.709
  363   HG22  ILE  48          2HG2      ILE  48  -1.684  -4.347   5.027
  364   HG23  ILE  48          3HG2      ILE  48  -3.056  -4.360   3.920
  365   HD11  ILE  48          3HD1      ILE  48  -1.139  -6.282   3.868
  366   HD12  ILE  48          1HD1      ILE  48   0.291  -5.264   4.041
  367   HD13  ILE  48          2HD1      ILE  48   0.237  -6.502   2.787
  368    H    CYS  49           H        CYS  49  -3.990  -0.967   2.132
  369    HA   CYS  49           HA       CYS  49  -2.690   1.387   3.194
  370    HB2  CYS  49           2HB      CYS  49  -5.589   0.810   2.554
  371    HB3  CYS  49           1HB      CYS  49  -4.958   2.387   3.031
  372    H    ASP  50           H        ASP  50  -2.740   2.147   5.239
  373    HA   ASP  50           HA       ASP  50  -4.204   0.539   7.243
  374    HB2  ASP  50           2HB      ASP  50  -2.525   1.127   8.837
  375    HB3  ASP  50           1HB      ASP  50  -1.676   0.623   7.375
  376    H    TYR  51           H        TYR  51  -5.424   1.558   8.819
  377    HA   TYR  51           HA       TYR  51  -5.890   4.448   8.388
  378    HB2  TYR  51           2HB      TYR  51  -7.776   2.270   9.310
  379    HB3  TYR  51           1HB      TYR  51  -8.134   3.986   9.484
  380    HD1  TYR  51           1HD      TYR  51  -6.863   1.629   6.855
  381    HD2  TYR  51           2HD      TYR  51  -9.360   4.995   7.788
  382    HE1  TYR  51           1HE      TYR  51  -7.637   1.705   4.502
  383    HE2  TYR  51           2HE      TYR  51 -10.136   5.074   5.434
  384    HH   TYR  51           HH       TYR  51  -8.629   3.194   2.943
  385    H    CYS  52           H        CYS  52  -4.412   5.247   9.861
  386    HA   CYS  52           HA       CYS  52  -3.869   6.100  11.932
  387    HB2  CYS  52           2HB      CYS  52  -6.004   4.432  13.221
  388    HB3  CYS  52           1HB      CYS  52  -5.430   6.043  13.658
  389    H    GLU  53           H        GLU  53  -4.338   2.672  11.501
  390    HA   GLU  53           HA       GLU  53  -2.120   2.183  13.389
  391    HB2  GLU  53           2HB      GLU  53  -4.598   0.477  13.057
  392    HB3  GLU  53           1HB      GLU  53  -3.216   0.093  14.085
  393    HG2  GLU  53           2HG      GLU  53  -4.906   2.596  14.354
  394    HG3  GLU  53           1HG      GLU  53  -5.104   1.151  15.342
  395    H    TYR  54           H        TYR  54  -0.439   1.448  12.278
  396    HA   TYR  54           HA       TYR  54  -0.917  -0.157   9.851
  397    HB2  TYR  54           2HB      TYR  54   1.304   0.456   9.160
  398    HB3  TYR  54           1HB      TYR  54   0.488   1.926   9.690
  399    HD1  TYR  54           2HD      TYR  54   1.091   3.024  11.789
  400    HD2  TYR  54           1HD      TYR  54   3.083  -0.556  10.500
  401    HE1  TYR  54           2HE      TYR  54   2.869   3.407  13.474
  402    HE2  TYR  54           1HE      TYR  54   4.862  -0.173  12.185
  403    HH   TYR  54           HH       TYR  54   5.771   2.109  13.410
  Start of MODEL    7
    1    H1   ASP   2           H        ASP   2  -6.551  -5.049  13.390
    2    HA   ASP   2           HA       ASP   2  -5.326  -5.649  11.406
    3    HB2  ASP   2           2HB      ASP   2  -6.059  -7.559  10.057
    4    HB3  ASP   2           1HB      ASP   2  -5.760  -8.053  11.722
    5    H    LYS   3           H        LYS   3  -8.567  -4.917  12.065
    6    HA   LYS   3           HA       LYS   3  -9.659  -4.493   9.520
    7    HB2  LYS   3           2HB      LYS   3 -10.135  -2.996  12.109
    8    HB3  LYS   3           1HB      LYS   3 -11.142  -2.848  10.667
    9    HG2  LYS   3           2HG      LYS   3 -11.554  -5.311  10.753
   10    HG3  LYS   3           1HG      LYS   3 -10.648  -5.377  12.265
   11    HD2  LYS   3           2HD      LYS   3 -12.244  -3.723  13.245
   12    HD3  LYS   3           1HD      LYS   3 -13.187  -3.801  11.757
   13    HE2  LYS   3           2HE      LYS   3 -14.161  -5.315  13.407
   14    HE3  LYS   3           1HE      LYS   3 -13.453  -6.258  12.095
   15    HZ1  LYS   3           3HZ      LYS   3 -12.931  -6.622  14.712
   16    HZ2  LYS   3           1HZ      LYS   3 -11.621  -5.655  14.235
   17    HZ3  LYS   3           2HZ      LYS   3 -11.922  -7.128  13.443
   18    H    CYS   4           H        CYS   4  -7.480  -2.532  11.462
   19    HA   CYS   4           HA       CYS   4  -7.655  -0.096  10.117
   20    HB2  CYS   4           2HB      CYS   4  -5.031  -1.199  11.087
   21    HB3  CYS   4           1HB      CYS   4  -5.611   0.465  11.129
   22    H    LYS   5           H        LYS   5  -6.292  -3.113   9.107
   23    HA   LYS   5           HA       LYS   5  -4.845  -1.853   6.886
   24    HB2  LYS   5           2HB      LYS   5  -4.995  -4.783   7.618
   25    HB3  LYS   5           1HB      LYS   5  -3.861  -4.020   6.504
   26    HG2  LYS   5           2HG      LYS   5  -4.058  -3.331   9.448
   27    HG3  LYS   5           1HG      LYS   5  -2.891  -4.470   8.778
   28    HD2  LYS   5           2HD      LYS   5  -2.231  -2.550   7.177
   29    HD3  LYS   5           1HD      LYS   5  -3.093  -1.499   8.301
   30    HE2  LYS   5           2HE      LYS   5  -1.671  -2.244  10.144
   31    HE3  LYS   5           1HE      LYS   5  -0.850  -3.385   9.079
   32    HZ1  LYS   5           3HZ      LYS   5  -0.797  -0.427   8.961
   33    HZ2  LYS   5           1HZ      LYS   5  -0.261  -1.400   7.681
   34    HZ3  LYS   5           2HZ      LYS   5   0.510  -1.486   9.192
   35    H    LYS   6           H        LYS   6  -5.519  -1.912   4.824
   36    HA   LYS   6           HA       LYS   6  -7.687  -3.749   4.070
   37    HB2  LYS   6           2HB      LYS   6  -7.708  -0.745   3.697
   38    HB3  LYS   6           1HB      LYS   6  -8.742  -1.837   2.773
   39    HG2  LYS   6           2HG      LYS   6  -9.511  -2.781   5.025
   40    HG3  LYS   6           1HG      LYS   6  -8.725  -1.384   5.762
   41    HD2  LYS   6           2HD      LYS   6 -10.730  -1.080   3.523
   42    HD3  LYS   6           1HD      LYS   6 -11.227  -1.146   5.216
   43    HE2  LYS   6           2HE      LYS   6  -9.297   0.847   3.991
   44    HE3  LYS   6           1HE      LYS   6 -10.938   1.187   4.542
   45    HZ1  LYS   6           3HZ      LYS   6 -10.078   0.224   6.759
   46    HZ2  LYS   6           1HZ      LYS   6  -9.670   1.815   6.339
   47    HZ3  LYS   6           2HZ      LYS   6  -8.538   0.566   6.129
   48    H    VAL   7           H        VAL   7  -7.117  -4.811   2.296
   49    HA   VAL   7           HA       VAL   7  -4.774  -4.039   0.808
   50    HB   VAL   7           HB       VAL   7  -5.358  -6.408   1.333
   51   HG11  VAL   7          1HG1      VAL   7  -7.424  -6.117  -0.858
   52   HG12  VAL   7          2HG1      VAL   7  -7.841  -6.012   0.852
   53   HG13  VAL   7          3HG1      VAL   7  -7.156  -7.501   0.202
   54   HG21  VAL   7          3HG2      VAL   7  -4.749  -7.267  -0.889
   55   HG22  VAL   7          1HG2      VAL   7  -3.828  -5.807  -0.530
   56   HG23  VAL   7          2HG2      VAL   7  -5.210  -5.731  -1.623
   57    H    TYR   8           H        TYR   8  -4.625  -3.227  -1.220
   58    HA   TYR   8           HA       TYR   8  -7.159  -2.460  -2.539
   59    HB2  TYR   8           2HB      TYR   8  -4.605  -1.000  -2.097
   60    HB3  TYR   8           1HB      TYR   8  -5.414  -0.751  -3.645
   61    HD1  TYR   8           1HD      TYR   8  -5.668  -0.339   0.006
   62    HD2  TYR   8           2HD      TYR   8  -7.630   0.274  -3.766
   63    HE1  TYR   8           1HE      TYR   8  -7.301   1.174   1.101
   64    HE2  TYR   8           2HE      TYR   8  -9.263   1.786  -2.671
   65    HH   TYR   8           HH       TYR   8  -9.967   2.648  -0.751
   66    H    GLU   9           H        GLU   9  -7.257  -4.412  -3.729
   67    HA   GLU   9           HA       GLU   9  -5.098  -5.292  -5.393
   68    HB2  GLU   9           2HB      GLU   9  -8.050  -5.952  -5.515
   69    HB3  GLU   9           1HB      GLU   9  -6.767  -6.816  -6.361
   70    HG2  GLU   9           2HG      GLU   9  -6.909  -6.485  -3.352
   71    HG3  GLU   9           1HG      GLU   9  -7.440  -7.923  -4.221
   72    H    ASN  10           H        ASN  10  -5.159  -5.359  -7.738
   73    HA   ASN  10           HA       ASN  10  -5.455  -4.440  -9.830
   74    HB2  ASN  10           2HB      ASN  10  -7.657  -2.676  -8.817
   75    HB3  ASN  10           1HB      ASN  10  -7.485  -3.452 -10.390
   76   HD21  ASN  10          1HD2      ASN  10  -9.919  -3.803  -9.112
   77   HD22  ASN  10          2HD2      ASN  10 -10.046  -5.385  -8.511
   78    H    TYR  11           H        TYR  11  -4.375  -2.985  -7.154
   79    HA   TYR  11           HA       TYR  11  -3.849  -0.444  -8.566
   80    HB2  TYR  11           2HB      TYR  11  -4.445  -1.050  -5.718
   81    HB3  TYR  11           1HB      TYR  11  -3.297   0.250  -6.049
   82    HD1  TYR  11           1HD      TYR  11  -6.777  -0.891  -6.444
   83    HD2  TYR  11           2HD      TYR  11  -3.982   2.270  -7.252
   84    HE1  TYR  11           1HE      TYR  11  -8.655   0.620  -7.027
   85    HE2  TYR  11           2HE      TYR  11  -5.860   3.781  -7.835
   86    HH   TYR  11           HH       TYR  11  -9.245   2.672  -7.624
   87    HA   PRO  12           HA       PRO  12   0.172  -2.483  -6.342
   88    HB2  PRO  12           2HB      PRO  12  -0.118  -4.707  -8.346
   89    HB3  PRO  12           1HB      PRO  12   0.585  -4.754  -6.719
   90    HG2  PRO  12           2HG      PRO  12  -1.843  -5.754  -7.207
   91    HG3  PRO  12           1HG      PRO  12  -1.473  -4.922  -5.687
   92    HD2  PRO  12           2HD      PRO  12  -3.115  -3.969  -7.980
   93    HD3  PRO  12           1HD      PRO  12  -3.198  -3.505  -6.265
   94    H    VAL  13           H        VAL  13   1.707  -1.176  -7.259
   95    HA   VAL  13           HA       VAL  13   2.042  -1.280 -10.197
   96    HB   VAL  13           HB       VAL  13   2.316   1.228  -8.542
   97   HG11  VAL  13          1HG1      VAL  13   2.466   2.347 -10.629
   98   HG12  VAL  13          2HG1      VAL  13   1.884   0.937 -11.517
   99   HG13  VAL  13          3HG1      VAL  13   3.498   0.929 -10.803
  100   HG21  VAL  13          3HG2      VAL  13   0.102   1.636 -10.061
  101   HG22  VAL  13          1HG2      VAL  13   0.041   1.070  -8.392
  102   HG23  VAL  13          2HG2      VAL  13  -0.067  -0.086  -9.719
  103    H    SER  14           H        SER  14   4.122  -1.209 -10.959
  104    HA   SER  14           HA       SER  14   6.245  -2.095  -9.400
  105    HB2  SER  14           2HB      SER  14   6.437  -0.346 -11.868
  106    HB3  SER  14           1HB      SER  14   7.697  -1.398 -11.229
  107    HG   SER  14           HG       SER  14   5.635  -2.935 -11.444
  108    H    LYS  15           H        LYS  15   5.042   1.139 -10.002
  109    HA   LYS  15           HA       LYS  15   7.195   2.642  -8.981
  110    HB2  LYS  15           2HB      LYS  15   4.225   3.234  -8.971
  111    HB3  LYS  15           1HB      LYS  15   5.484   4.411  -8.600
  112    HG2  LYS  15           2HG      LYS  15   6.482   3.986 -10.854
  113    HG3  LYS  15           1HG      LYS  15   5.118   2.930 -11.220
  114    HD2  LYS  15           2HD      LYS  15   3.575   4.850 -10.772
  115    HD3  LYS  15           1HD      LYS  15   4.986   5.888 -10.565
  116    HE2  LYS  15           2HE      LYS  15   5.721   5.298 -12.871
  117    HE3  LYS  15           1HE      LYS  15   4.249   4.348 -13.072
  118    HZ1  LYS  15           3HZ      LYS  15   3.901   6.506 -13.996
  119    HZ2  LYS  15           1HZ      LYS  15   4.435   7.269 -12.579
  120    HZ3  LYS  15           2HZ      LYS  15   2.979   6.393 -12.573
  121    H    CYS  16           H        CYS  16   4.708   0.765  -7.441
  122    HA   CYS  16           HA       CYS  16   4.797   1.939  -4.866
  123    HB2  CYS  16           2HB      CYS  16   4.165  -0.933  -5.599
  124    HB3  CYS  16           1HB      CYS  16   3.728  -0.115  -4.100
  125    H    GLN  17           H        GLN  17   6.907  -0.244  -6.551
  126    HA   GLN  17           HA       GLN  17   8.234  -1.623  -4.596
  127    HB2  GLN  17           2HB      GLN  17  10.163  -1.622  -6.016
  128    HB3  GLN  17           1HB      GLN  17   8.757  -1.583  -7.080
  129    HG2  GLN  17           2HG      GLN  17   9.008   0.983  -7.012
  130    HG3  GLN  17           1HG      GLN  17  10.616   0.678  -6.355
  131   HE21  GLN  17          1HE2      GLN  17  11.917   1.213  -8.164
  132   HE22  GLN  17          2HE2      GLN  17  11.786   0.446  -9.672
  133    H    LEU  18           H        LEU  18   7.935   1.756  -4.897
  134    HA   LEU  18           HA       LEU  18  10.201   2.260  -3.082
  135    HB2  LEU  18           2HB      LEU  18   8.568   4.013  -4.905
  136    HB3  LEU  18           1HB      LEU  18   9.518   4.710  -3.593
  137    HG   LEU  18           HG       LEU  18  10.828   2.731  -5.423
  138   HD11  LEU  18          1HD1      LEU  18  10.352   5.661  -6.049
  139   HD12  LEU  18          2HD1      LEU  18   9.732   4.287  -6.963
  140   HD13  LEU  18          3HD1      LEU  18  11.464   4.612  -6.927
  141   HD21  LEU  18          3HD2      LEU  18  12.006   3.581  -3.429
  142   HD22  LEU  18          1HD2      LEU  18  11.749   5.238  -3.978
  143   HD23  LEU  18          2HD2      LEU  18  12.788   4.153  -4.902
  144    H    ALA  19           H        ALA  19   9.554   1.876  -1.029
  145    HA   ALA  19           HA       ALA  19   7.049   1.970   0.075
  146    HB1  ALA  19           1HB      ALA  19   8.990   1.173   1.318
  147    HB2  ALA  19           2HB      ALA  19   8.159   2.423   2.244
  148    HB3  ALA  19           3HB      ALA  19   9.647   2.809   1.381
  149    H    ASN  20           H        ASN  20   8.902   4.606  -1.086
  150    HA   ASN  20           HA       ASN  20   7.594   6.642   0.496
  151    HB2  ASN  20           2HB      ASN  20   9.330   6.804  -1.979
  152    HB3  ASN  20           1HB      ASN  20   8.731   8.204  -1.091
  153   HD21  ASN  20          1HD2      ASN  20  11.559   6.890  -1.454
  154   HD22  ASN  20          2HD2      ASN  20  12.152   6.831   0.136
  155    H    GLN  21           H        GLN  21   7.463   5.550  -2.887
  156    HA   GLN  21           HA       GLN  21   5.401   7.261  -3.750
  157    HB2  GLN  21           2HB      GLN  21   6.189   4.488  -4.681
  158    HB3  GLN  21           1HB      GLN  21   5.048   5.532  -5.529
  159    HG2  GLN  21           2HG      GLN  21   7.862   6.400  -4.835
  160    HG3  GLN  21           1HG      GLN  21   7.446   5.636  -6.369
  161   HE21  GLN  21          1HE2      GLN  21   8.414   8.390  -6.083
  162   HE22  GLN  21          2HE2      GLN  21   7.173   9.407  -6.639
  163    H    CYS  22           H        CYS  22   5.353   4.109  -2.179
  164    HA   CYS  22           HA       CYS  22   2.705   3.372  -2.517
  165    HB2  CYS  22           2HB      CYS  22   4.508   2.959  -0.125
  166    HB3  CYS  22           1HB      CYS  22   2.974   2.124  -0.377
  167    H    ASN  23           H        ASN  23   4.006   5.046   0.365
  168    HA   ASN  23           HA       ASN  23   1.433   5.544   1.457
  169    HB2  ASN  23           2HB      ASN  23   2.547   6.734   3.165
  170    HB3  ASN  23           1HB      ASN  23   3.657   5.450   2.691
  171   HD21  ASN  23          1HD2      ASN  23   3.967   8.429   3.715
  172   HD22  ASN  23          2HD2      ASN  23   5.159   9.044   2.675
  173    H    TYR  24           H        TYR  24   3.694   7.620  -0.347
  174    HA   TYR  24           HA       TYR  24   2.183   9.995  -0.169
  175    HB2  TYR  24           2HB      TYR  24   4.387   8.984  -1.873
  176    HB3  TYR  24           1HB      TYR  24   3.437  10.320  -2.526
  177    HD1  TYR  24           2HD      TYR  24   3.375  12.496  -1.411
  178    HD2  TYR  24           1HD      TYR  24   5.703   9.251   0.172
  179    HE1  TYR  24           2HE      TYR  24   4.566  14.078   0.081
  180    HE2  TYR  24           1HE      TYR  24   6.894  10.835   1.664
  181    HH   TYR  24           HH       TYR  24   7.038  13.990   1.255
  182    H    ASP  25           H        ASP  25   2.347   7.581  -2.791
  183    HA   ASP  25           HA       ASP  25   0.345   8.765  -4.398
  184    HB2  ASP  25           2HB      ASP  25   1.217   5.874  -4.252
  185    HB3  ASP  25           1HB      ASP  25   0.292   6.602  -5.564
  186    H    CYS  26           H        CYS  26   0.189   6.176  -1.960
  187    HA   CYS  26           HA       CYS  26  -2.534   5.541  -2.297
  188    HB2  CYS  26           2HB      CYS  26  -0.681   5.322   0.078
  189    HB3  CYS  26           1HB      CYS  26  -2.342   4.729   0.108
  190    H    LYS  27           H        LYS  27  -0.920   7.914  -0.205
  191    HA   LYS  27           HA       LYS  27  -3.156   8.825   1.212
  192    HB2  LYS  27           2HB      LYS  27  -0.580  10.132   0.362
  193    HB3  LYS  27           1HB      LYS  27  -1.810  11.040   1.241
  194    HG2  LYS  27           2HG      LYS  27  -1.642   9.658   3.144
  195    HG3  LYS  27           1HG      LYS  27  -0.854   8.363   2.244
  196    HD2  LYS  27           2HD      LYS  27   1.168   9.689   2.001
  197    HD3  LYS  27           1HD      LYS  27   0.385  11.084   2.744
  198    HE2  LYS  27           2HE      LYS  27   0.900   8.422   4.103
  199    HE3  LYS  27           1HE      LYS  27   1.811   9.907   4.376
  200    HZ1  LYS  27           3HZ      LYS  27  -1.056   9.422   4.962
  201    HZ2  LYS  27           1HZ      LYS  27  -0.336  10.957   5.022
  202    HZ3  LYS  27           2HZ      LYS  27   0.188   9.731   6.078
  203    H    LEU  28           H        LEU  28  -1.835   9.830  -1.916
  204    HA   LEU  28           HA       LEU  28  -3.731  11.899  -2.404
  205    HB2  LEU  28           2HB      LEU  28  -2.018  10.299  -4.323
  206    HB3  LEU  28           1HB      LEU  28  -2.909  11.765  -4.734
  207    HG   LEU  28           HG       LEU  28  -0.897  11.688  -2.479
  208   HD11  LEU  28          1HD1      LEU  28  -0.497  12.262  -5.424
  209   HD12  LEU  28          2HD1      LEU  28   0.382  11.109  -4.420
  210   HD13  LEU  28          3HD1      LEU  28   0.614  12.841  -4.183
  211   HD21  LEU  28          3HD2      LEU  28  -2.375  13.811  -4.033
  212   HD22  LEU  28          1HD2      LEU  28  -0.874  14.193  -3.191
  213   HD23  LEU  28          2HD2      LEU  28  -2.266  13.601  -2.285
  214    H    ASP  29           H        ASP  29  -3.533   8.491  -3.387
  215    HA   ASP  29           HA       ASP  29  -6.131   8.721  -4.728
  216    HB2  ASP  29           2HB      ASP  29  -4.049   6.538  -4.688
  217    HB3  ASP  29           1HB      ASP  29  -5.590   6.415  -5.536
  218    H    LYS  30           H        LYS  30  -4.589   6.396  -2.472
  219    HA   LYS  30           HA       LYS  30  -7.211   5.341  -1.803
  220    HB2  LYS  30           2HB      LYS  30  -4.412   4.580  -0.971
  221    HB3  LYS  30           1HB      LYS  30  -5.861   3.748  -0.403
  222    HG2  LYS  30           2HG      LYS  30  -6.456   3.067  -2.615
  223    HG3  LYS  30           1HG      LYS  30  -5.279   4.162  -3.341
  224    HD2  LYS  30           2HD      LYS  30  -3.464   2.843  -2.181
  225    HD3  LYS  30           1HD      LYS  30  -4.698   1.672  -1.715
  226    HE2  LYS  30           2HE      LYS  30  -5.287   1.426  -4.146
  227    HE3  LYS  30           1HE      LYS  30  -3.906   2.452  -4.533
  228    HZ1  LYS  30           3HZ      LYS  30  -2.472   0.809  -4.119
  229    HZ2  LYS  30           1HZ      LYS  30  -3.808  -0.224  -4.276
  230    HZ3  LYS  30           2HZ      LYS  30  -3.303   0.281  -2.734
  231    H    HIS  31           H        HIS  31  -5.519   7.945  -0.673
  232    HA   HIS  31           HA       HIS  31  -5.642   9.209   1.249
  233    HB2  HIS  31           2HB      HIS  31  -8.138   7.619   1.848
  234    HB3  HIS  31           1HB      HIS  31  -7.760   9.273   2.332
  235    HD2  HIS  31           2HD      HIS  31  -7.571  11.097  -0.030
  236    HE1  HIS  31           1HE      HIS  31 -10.154   8.676  -2.331
  237    HE2  HIS  31           2HE      HIS  31  -9.049  10.957  -2.178
  238    H    ALA  32           H        ALA  32  -4.398   6.419   1.319
  239    HA   ALA  32           HA       ALA  32  -4.851   5.342   3.917
  240    HB1  ALA  32           1HB      ALA  32  -2.266   5.071   2.391
  241    HB2  ALA  32           2HB      ALA  32  -3.724   4.218   1.885
  242    HB3  ALA  32           3HB      ALA  32  -3.030   3.909   3.476
  243    H    ARG  33           H        ARG  33  -3.390   5.426   5.746
  244    HA   ARG  33           HA       ARG  33  -2.423   8.116   6.204
  245    HB2  ARG  33           2HB      ARG  33  -2.339   5.666   7.979
  246    HB3  ARG  33           1HB      ARG  33  -1.943   7.311   8.479
  247    HG2  ARG  33           2HG      ARG  33  -4.596   6.751   7.179
  248    HG3  ARG  33           1HG      ARG  33  -4.369   6.397   8.892
  249    HD2  ARG  33           2HD      ARG  33  -3.569   8.740   9.224
  250    HD3  ARG  33           1HD      ARG  33  -3.943   9.074   7.535
  251    HE   ARG  33           HE       ARG  33  -6.189   9.183   8.113
  252   HH11  ARG  33          1HH2      ARG  33  -4.340   7.627  10.590
  253   HH12  ARG  33          2HH2      ARG  33  -5.652   7.561  11.720
  254   HH21  ARG  33          1HH1      ARG  33  -7.914   9.101   9.590
  255   HH22  ARG  33          2HH1      ARG  33  -7.675   8.396  11.154
  256    H    SER  34           H        SER  34  -0.992   4.879   5.929
  257    HA   SER  34           HA       SER  34   1.647   6.177   5.622
  258    HB2  SER  34           2HB      SER  34   0.848   4.530   7.736
  259    HB3  SER  34           1HB      SER  34   1.841   3.505   6.703
  260    HG   SER  34           HG       SER  34   3.406   5.220   6.744
  261    H    GLY  35           H        GLY  35  -0.675   4.291   4.170
  262    HA2  GLY  35           2HA      GLY  35  -0.589   2.546   2.600
  263    HA3  GLY  35           1HA      GLY  35   0.382   3.773   1.792
  264    H    GLU  36           H        GLU  36   0.385   0.697   3.314
  265    HA   GLU  36           HA       GLU  36   3.329   0.539   3.078
  266    HB2  GLU  36           2HB      GLU  36   1.467  -1.113   4.805
  267    HB3  GLU  36           1HB      GLU  36   3.217  -1.306   4.710
  268    HG2  GLU  36           2HG      GLU  36   1.813   1.245   5.555
  269    HG3  GLU  36           1HG      GLU  36   2.500   0.067   6.671
  270    H    CYS  37           H        CYS  37   4.129  -0.782   1.572
  271    HA   CYS  37           HA       CYS  37   2.267  -2.619   0.207
  272    HB2  CYS  37           2HB      CYS  37   4.685  -1.087  -0.675
  273    HB3  CYS  37           1HB      CYS  37   4.205  -2.545  -1.542
  274    H    PHE  38           H        PHE  38   2.731  -4.756  -0.050
  275    HA   PHE  38           HA       PHE  38   5.238  -5.754   1.155
  276    HB2  PHE  38           2HB      PHE  38   2.481  -6.979   1.415
  277    HB3  PHE  38           1HB      PHE  38   3.978  -7.690   2.020
  278    HD1  PHE  38           1HD      PHE  38   1.644  -4.829   2.368
  279    HD2  PHE  38           2HD      PHE  38   5.028  -6.890   4.024
  280    HE1  PHE  38           1HE      PHE  38   1.448  -3.483   4.442
  281    HE2  PHE  38           2HE      PHE  38   4.833  -5.545   6.098
  282    HZ   PHE  38           HZ       PHE  38   3.044  -3.841   6.307
  283    H    TYR  39           H        TYR  39   5.880  -7.895   0.364
  284    HA   TYR  39           HA       TYR  39   5.234  -8.168  -2.489
  285    HB2  TYR  39           2HB      TYR  39   7.456  -9.447  -0.875
  286    HB3  TYR  39           1HB      TYR  39   7.270  -9.509  -2.627
  287    HD1  TYR  39           1HD      TYR  39   7.541  -7.062   0.197
  288    HD2  TYR  39           2HD      TYR  39   8.265  -7.860  -3.961
  289    HE1  TYR  39           1HE      TYR  39   8.742  -4.902  -0.009
  290    HE2  TYR  39           2HE      TYR  39   9.467  -5.701  -4.167
  291    HH   TYR  39           HH       TYR  39   9.584  -3.401  -1.483
  292    H    ASP  40           H        ASP  40   4.024  -9.796  -3.226
  293    HA   ASP  40           HA       ASP  40   3.311 -11.959  -1.353
  294    HB2  ASP  40           2HB      ASP  40   1.923 -10.694  -3.692
  295    HB3  ASP  40           1HB      ASP  40   1.499 -12.332  -3.199
  296    H    GLU  41           H        GLU  41   2.509 -13.950  -2.907
  297    HA   GLU  41           HA       GLU  41   4.924 -15.133  -3.815
  298    HB2  GLU  41           2HB      GLU  41   2.047 -15.967  -4.256
  299    HB3  GLU  41           1HB      GLU  41   3.455 -16.972  -4.597
  300    HG2  GLU  41           2HG      GLU  41   2.815 -15.799  -1.877
  301    HG3  GLU  41           1HG      GLU  41   2.428 -17.449  -2.364
  302    H    LYS  42           H        LYS  42   2.368 -13.354  -5.400
  303    HA   LYS  42           HA       LYS  42   3.117 -14.103  -8.076
  304    HB2  LYS  42           2HB      LYS  42   1.471 -11.739  -7.145
  305    HB3  LYS  42           1HB      LYS  42   1.526 -12.404  -8.778
  306    HG2  LYS  42           2HG      LYS  42   0.516 -14.467  -8.054
  307    HG3  LYS  42           1HG      LYS  42   0.667 -14.009  -6.357
  308    HD2  LYS  42           2HD      LYS  42  -1.637 -13.654  -7.152
  309    HD3  LYS  42           1HD      LYS  42  -0.878 -12.118  -6.731
  310    HE2  LYS  42           2HE      LYS  42  -0.691 -13.129  -9.553
  311    HE3  LYS  42           1HE      LYS  42  -2.174 -12.345  -9.011
  312    HZ1  LYS  42           3HZ      LYS  42  -0.200 -10.727  -8.074
  313    HZ2  LYS  42           1HZ      LYS  42  -1.135 -10.448  -9.461
  314    HZ3  LYS  42           2HZ      LYS  42   0.382 -11.198  -9.598
  315    H    ARG  43           H        ARG  43   4.844 -12.502  -5.898
  316    HA   ARG  43           HA       ARG  43   6.588 -11.011  -5.979
  317    HB2  ARG  43           2HB      ARG  43   6.374 -11.302  -8.984
  318    HB3  ARG  43           1HB      ARG  43   7.787 -10.793  -8.058
  319    HG2  ARG  43           2HG      ARG  43   8.092 -12.959  -7.127
  320    HG3  ARG  43           1HG      ARG  43   6.479 -13.481  -7.616
  321    HD2  ARG  43           2HD      ARG  43   8.791 -12.843  -9.469
  322    HD3  ARG  43           1HD      ARG  43   8.153 -14.446  -9.118
  323    HE   ARG  43           HE       ARG  43   6.081 -12.763 -10.101
  324   HH11  ARG  43          1HH2      ARG  43   8.936 -14.477 -11.045
  325   HH12  ARG  43          2HH2      ARG  43   8.418 -14.717 -12.681
  326   HH21  ARG  43          1HH1      ARG  43   5.397 -13.073 -12.245
  327   HH22  ARG  43          2HH1      ARG  43   6.414 -13.922 -13.360
  328    H    ASN  44           H        ASN  44   3.611 -10.256  -6.566
  329    HA   ASN  44           HA       ASN  44   4.014  -7.624  -7.789
  330    HB2  ASN  44           2HB      ASN  44   1.865  -9.466  -7.716
  331    HB3  ASN  44           1HB      ASN  44   1.342  -8.041  -6.817
  332   HD21  ASN  44          1HD2      ASN  44   0.013  -7.018  -8.378
  333   HD22  ASN  44          2HD2      ASN  44   0.567  -6.531  -9.907
  334    H    LEU  45           H        LEU  45   3.490  -5.686  -6.713
  335    HA   LEU  45           HA       LEU  45   3.977  -5.781  -3.843
  336    HB2  LEU  45           2HB      LEU  45   3.540  -3.342  -5.575
  337    HB3  LEU  45           1HB      LEU  45   4.317  -3.414  -3.993
  338    HG   LEU  45           HG       LEU  45   5.345  -4.790  -6.494
  339   HD11  LEU  45          1HD1      LEU  45   5.712  -2.472  -6.825
  340   HD12  LEU  45          2HD1      LEU  45   7.226  -3.058  -6.136
  341   HD13  LEU  45          3HD1      LEU  45   6.068  -2.200  -5.119
  342   HD21  LEU  45          3HD2      LEU  45   7.429  -4.903  -4.941
  343   HD22  LEU  45          1HD2      LEU  45   6.118  -6.046  -4.652
  344   HD23  LEU  45          2HD2      LEU  45   6.283  -4.616  -3.632
  345    H    GLN  46           H        GLN  46   2.211  -6.318  -2.683
  346    HA   GLN  46           HA       GLN  46  -0.437  -5.422  -3.426
  347    HB2  GLN  46           2HB      GLN  46   0.640  -6.987  -1.075
  348    HB3  GLN  46           1HB      GLN  46  -1.061  -6.550  -1.241
  349    HG2  GLN  46           2HG      GLN  46   0.511  -8.074  -3.335
  350    HG3  GLN  46           1HG      GLN  46  -0.527  -8.835  -2.131
  351   HE21  GLN  46          1HE2      GLN  46  -0.683  -8.324  -5.259
  352   HE22  GLN  46          2HE2      GLN  46  -2.287  -7.806  -5.454
  353    H    CYS  47           H        CYS  47  -1.050  -3.395  -3.056
  354    HA   CYS  47           HA       CYS  47   0.197  -1.767  -1.016
  355    HB2  CYS  47           2HB      CYS  47  -2.074  -1.233  -2.943
  356    HB3  CYS  47           1HB      CYS  47  -1.411  -0.031  -1.835
  357    H    ILE  48           H        ILE  48  -0.341  -2.229   1.042
  358    HA   ILE  48           HA       ILE  48  -3.182  -2.694   1.684
  359    HB   ILE  48           HB       ILE  48  -0.736  -3.213   3.392
  360   HG12  ILE  48          2HG1      ILE  48  -2.471  -5.139   1.810
  361   HG13  ILE  48          1HG1      ILE  48  -0.838  -4.648   1.358
  362   HG21  ILE  48          1HG2      ILE  48  -2.329  -4.507   4.765
  363   HG22  ILE  48          2HG2      ILE  48  -3.642  -4.039   3.685
  364   HG23  ILE  48          3HG2      ILE  48  -2.821  -2.817   4.656
  365   HD11  ILE  48          3HD1      ILE  48  -0.161  -5.459   3.723
  366   HD12  ILE  48          1HD1      ILE  48  -0.507  -6.685   2.504
  367   HD13  ILE  48          2HD1      ILE  48  -1.715  -6.293   3.728
  368    H    CYS  49           H        CYS  49  -4.083  -0.716   1.974
  369    HA   CYS  49           HA       CYS  49  -2.727   1.494   3.176
  370    HB2  CYS  49           2HB      CYS  49  -5.691   1.043   2.772
  371    HB3  CYS  49           1HB      CYS  49  -4.917   2.585   3.132
  372    H    ASP  50           H        ASP  50  -2.516   2.030   5.261
  373    HA   ASP  50           HA       ASP  50  -3.952   0.391   7.258
  374    HB2  ASP  50           2HB      ASP  50  -2.130   0.768   8.756
  375    HB3  ASP  50           1HB      ASP  50  -1.423   0.319   7.202
  376    H    TYR  51           H        TYR  51  -5.090   1.350   8.897
  377    HA   TYR  51           HA       TYR  51  -5.346   4.293   8.757
  378    HB2  TYR  51           2HB      TYR  51  -7.312   2.168   9.633
  379    HB3  TYR  51           1HB      TYR  51  -7.537   3.880   9.983
  380    HD1  TYR  51           1HD      TYR  51  -6.553   1.748   7.053
  381    HD2  TYR  51           2HD      TYR  51  -8.866   5.067   8.495
  382    HE1  TYR  51           1HE      TYR  51  -7.481   2.088   4.779
  383    HE2  TYR  51           2HE      TYR  51  -9.794   5.410   6.221
  384    HH   TYR  51           HH       TYR  51  -8.490   4.203   3.507
  385    H    CYS  52           H        CYS  52  -3.754   4.910  10.182
  386    HA   CYS  52           HA       CYS  52  -3.016   5.533  12.279
  387    HB2  CYS  52           2HB      CYS  52  -5.040   3.729  13.565
  388    HB3  CYS  52           1HB      CYS  52  -4.386   5.262  14.145
  389    H    GLU  53           H        GLU  53  -4.171   2.202  12.851
  390    HA   GLU  53           HA       GLU  53  -1.795   1.435  14.205
  391    HB2  GLU  53           2HB      GLU  53  -3.944  -0.287  12.948
  392    HB3  GLU  53           1HB      GLU  53  -2.720  -0.846  14.089
  393    HG2  GLU  53           2HG      GLU  53  -4.726   1.351  14.674
  394    HG3  GLU  53           1HG      GLU  53  -4.911  -0.326  15.183
  395    H    TYR  54           H        TYR  54   0.047   0.508  13.510
  396    HA   TYR  54           HA       TYR  54   0.456   0.325  10.616
  397    HB2  TYR  54           2HB      TYR  54   2.405   0.149  12.929
  398    HB3  TYR  54           1HB      TYR  54   2.850   0.098  11.223
  399    HD1  TYR  54           2HD      TYR  54   2.667   2.080   9.805
  400    HD2  TYR  54           1HD      TYR  54   1.579   2.211  13.958
  401    HE1  TYR  54           2HE      TYR  54   2.654   4.559   9.723
  402    HE2  TYR  54           1HE      TYR  54   1.567   4.689  13.876
  403    HH   TYR  54           HH       TYR  54   1.607   6.431  10.972
  Start of MODEL    8
    1    H1   ASP   2           H        ASP   2  -8.352  -2.373  14.199
    2    HA   ASP   2           HA       ASP   2 -10.624  -3.870  14.510
    3    HB2  ASP   2           2HB      ASP   2 -12.479  -2.275  14.139
    4    HB3  ASP   2           1HB      ASP   2 -11.666  -1.995  15.678
    5    H    LYS   3           H        LYS   3  -9.105  -4.462  12.691
    6    HA   LYS   3           HA       LYS   3  -8.745  -4.759  10.442
    7    HB2  LYS   3           2HB      LYS   3 -11.362  -3.299  10.051
    8    HB3  LYS   3           1HB      LYS   3 -10.610  -4.469   8.968
    9    HG2  LYS   3           2HG      LYS   3 -11.575  -5.078  11.778
   10    HG3  LYS   3           1HG      LYS   3 -12.451  -5.481  10.301
   11    HD2  LYS   3           2HD      LYS   3 -10.292  -6.708   9.584
   12    HD3  LYS   3           1HD      LYS   3  -9.819  -6.587  11.278
   13    HE2  LYS   3           2HE      LYS   3 -10.937  -8.718  10.939
   14    HE3  LYS   3           1HE      LYS   3 -11.985  -7.680  11.906
   15    HZ1  LYS   3           3HZ      LYS   3 -12.460  -7.250   9.155
   16    HZ2  LYS   3           1HZ      LYS   3 -13.537  -7.784  10.351
   17    HZ3  LYS   3           2HZ      LYS   3 -12.588  -8.908   9.501
   18    H    CYS   4           H        CYS   4  -7.513  -2.543  11.626
   19    HA   CYS   4           HA       CYS   4  -7.887  -0.112  10.245
   20    HB2  CYS   4           2HB      CYS   4  -5.252  -1.098  11.336
   21    HB3  CYS   4           1HB      CYS   4  -5.809   0.568  11.183
   22    H    LYS   5           H        LYS   5  -6.291  -3.071   9.377
   23    HA   LYS   5           HA       LYS   5  -4.898  -1.822   7.125
   24    HB2  LYS   5           2HB      LYS   5  -4.978  -4.732   7.945
   25    HB3  LYS   5           1HB      LYS   5  -3.874  -3.991   6.786
   26    HG2  LYS   5           2HG      LYS   5  -4.053  -3.163   9.695
   27    HG3  LYS   5           1HG      LYS   5  -2.885  -4.333   9.081
   28    HD2  LYS   5           2HD      LYS   5  -2.233  -2.508   7.375
   29    HD3  LYS   5           1HD      LYS   5  -3.109  -1.396   8.429
   30    HE2  LYS   5           2HE      LYS   5  -0.854  -1.309   9.182
   31    HE3  LYS   5           1HE      LYS   5  -1.686  -2.342  10.345
   32    HZ1  LYS   5           3HZ      LYS   5  -0.119  -3.298   8.011
   33    HZ2  LYS   5           1HZ      LYS   5  -0.895  -4.278   9.156
   34    HZ3  LYS   5           2HZ      LYS   5   0.416  -3.303   9.622
   35    H    LYS   6           H        LYS   6  -5.530  -1.953   5.050
   36    HA   LYS   6           HA       LYS   6  -7.566  -3.898   4.256
   37    HB2  LYS   6           2HB      LYS   6  -7.909  -0.900   3.959
   38    HB3  LYS   6           1HB      LYS   6  -8.885  -2.097   3.106
   39    HG2  LYS   6           2HG      LYS   6  -9.409  -3.097   5.402
   40    HG3  LYS   6           1HG      LYS   6  -8.717  -1.628   6.088
   41    HD2  LYS   6           2HD      LYS   6 -10.915  -1.580   4.010
   42    HD3  LYS   6           1HD      LYS   6 -11.241  -1.590   5.746
   43    HE2  LYS   6           2HE      LYS   6  -9.670   0.493   4.205
   44    HE3  LYS   6           1HE      LYS   6 -11.232   0.715   4.995
   45    HZ1  LYS   6           3HZ      LYS   6  -9.637   1.565   6.469
   46    HZ2  LYS   6           1HZ      LYS   6  -8.597   0.242   6.258
   47    HZ3  LYS   6           2HZ      LYS   6 -10.057   0.047   7.105
   48    H    VAL   7           H        VAL   7  -7.015  -4.758   2.362
   49    HA   VAL   7           HA       VAL   7  -4.800  -3.614   0.868
   50    HB   VAL   7           HB       VAL   7  -4.883  -6.034   1.320
   51   HG11  VAL   7          1HG1      VAL   7  -7.390  -6.188   1.214
   52   HG12  VAL   7          2HG1      VAL   7  -6.566  -7.432   0.273
   53   HG13  VAL   7          3HG1      VAL   7  -7.277  -6.038  -0.541
   54   HG21  VAL   7          3HG2      VAL   7  -5.260  -5.440  -1.631
   55   HG22  VAL   7          1HG2      VAL   7  -4.319  -6.754  -0.924
   56   HG23  VAL   7          2HG2      VAL   7  -3.778  -5.085  -0.740
   57    H    TYR   8           H        TYR   8  -4.864  -2.753  -1.142
   58    HA   TYR   8           HA       TYR   8  -7.509  -2.536  -2.448
   59    HB2  TYR   8           2HB      TYR   8  -5.444  -0.401  -1.939
   60    HB3  TYR   8           1HB      TYR   8  -6.612  -0.252  -3.253
   61    HD1  TYR   8           2HD      TYR   8  -9.010  -0.033  -2.799
   62    HD2  TYR   8           1HD      TYR   8  -6.158  -0.353   0.397
   63    HE1  TYR   8           2HE      TYR   8 -10.736   0.719  -1.184
   64    HE2  TYR   8           1HE      TYR   8  -7.883   0.397   2.013
   65    HH   TYR   8           HH       TYR   8  -9.932   1.363   2.196
   66    H    GLU   9           H        GLU   9  -6.807  -4.378  -3.710
   67    HA   GLU   9           HA       GLU   9  -4.505  -4.411  -5.330
   68    HB2  GLU   9           2HB      GLU   9  -7.203  -5.689  -5.831
   69    HB3  GLU   9           1HB      GLU   9  -5.700  -6.108  -6.654
   70    HG2  GLU   9           2HG      GLU   9  -5.771  -7.704  -4.950
   71    HG3  GLU   9           1HG      GLU   9  -4.773  -6.442  -4.228
   72    H    ASN  10           H        ASN  10  -4.626  -4.385  -7.783
   73    HA   ASN  10           HA       ASN  10  -4.920  -3.199  -9.728
   74    HB2  ASN  10           2HB      ASN  10  -7.505  -2.149  -8.591
   75    HB3  ASN  10           1HB      ASN  10  -7.088  -2.441 -10.278
   76   HD21  ASN  10          1HD2      ASN  10  -9.385  -3.662  -9.640
   77   HD22  ASN  10          2HD2      ASN  10  -9.177  -5.318  -9.335
   78    H    TYR  11           H        TYR  11  -3.357  -2.049  -7.718
   79    HA   TYR  11           HA       TYR  11  -3.634   0.746  -8.451
   80    HB2  TYR  11           2HB      TYR  11  -4.307  -0.270  -5.760
   81    HB3  TYR  11           1HB      TYR  11  -3.286   1.169  -5.804
   82    HD1  TYR  11           2HD      TYR  11  -4.090   3.265  -6.784
   83    HD2  TYR  11           1HD      TYR  11  -6.578  -0.236  -6.672
   84    HE1  TYR  11           2HE      TYR  11  -6.071   4.655  -7.330
   85    HE2  TYR  11           1HE      TYR  11  -8.557   1.155  -7.220
   86    HH   TYR  11           HH       TYR  11  -8.418   4.633  -7.215
   87    HA   PRO  12           HA       PRO  12   0.575  -0.206  -6.101
   88    HB2  PRO  12           2HB      PRO  12   0.800  -3.076  -6.853
   89    HB3  PRO  12           1HB      PRO  12   1.165  -2.293  -5.305
   90    HG2  PRO  12           2HG      PRO  12  -0.978  -3.857  -5.584
   91    HG3  PRO  12           1HG      PRO  12  -1.026  -2.397  -4.581
   92    HD2  PRO  12           2HD      PRO  12  -2.142  -2.806  -7.344
   93    HD3  PRO  12           1HD      PRO  12  -2.830  -1.896  -5.979
   94    H    VAL  13           H        VAL  13   2.416   0.234  -7.340
   95    HA   VAL  13           HA       VAL  13   2.480  -0.793 -10.108
   96    HB   VAL  13           HB       VAL  13   3.053   2.068  -9.326
   97   HG11  VAL  13          1HG1      VAL  13   4.296   1.491 -11.276
   98   HG12  VAL  13          2HG1      VAL  13   2.855   2.321 -11.864
   99   HG13  VAL  13          3HG1      VAL  13   2.956   0.561 -11.944
  100   HG21  VAL  13          3HG2      VAL  13   0.599   0.735 -10.477
  101   HG22  VAL  13          1HG2      VAL  13   0.920   2.452 -10.715
  102   HG23  VAL  13          2HG2      VAL  13   0.703   1.813  -9.085
  103    H    SER  14           H        SER  14   4.592  -0.653 -11.132
  104    HA   SER  14           HA       SER  14   6.704  -1.659  -9.672
  105    HB2  SER  14           2HB      SER  14   6.958   0.182 -12.066
  106    HB3  SER  14           1HB      SER  14   8.146  -0.994 -11.511
  107    HG   SER  14           HG       SER  14   6.744  -2.632 -12.049
  108    H    LYS  15           H        LYS  15   5.577   1.616  -9.973
  109    HA   LYS  15           HA       LYS  15   7.914   2.904  -8.927
  110    HB2  LYS  15           2HB      LYS  15   5.033   3.828  -9.097
  111    HB3  LYS  15           1HB      LYS  15   6.394   4.854  -8.647
  112    HG2  LYS  15           2HG      LYS  15   7.468   4.328 -10.838
  113    HG3  LYS  15           1HG      LYS  15   6.029   3.413 -11.289
  114    HD2  LYS  15           2HD      LYS  15   4.663   5.483 -10.922
  115    HD3  LYS  15           1HD      LYS  15   6.161   6.373 -10.647
  116    HE2  LYS  15           2HE      LYS  15   6.938   5.880 -12.887
  117    HE3  LYS  15           1HE      LYS  15   5.569   4.807 -13.172
  118    HZ1  LYS  15           3HZ      LYS  15   5.076   6.882 -14.175
  119    HZ2  LYS  15           1HZ      LYS  15   5.500   7.745 -12.777
  120    HZ3  LYS  15           2HZ      LYS  15   4.110   6.768 -12.783
  121    H    CYS  16           H        CYS  16   5.136   1.309  -7.576
  122    HA   CYS  16           HA       CYS  16   5.206   2.476  -4.987
  123    HB2  CYS  16           2HB      CYS  16   4.128  -0.172  -5.983
  124    HB3  CYS  16           1HB      CYS  16   3.916   0.411  -4.331
  125    H    GLN  17           H        GLN  17   7.212   0.194  -6.579
  126    HA   GLN  17           HA       GLN  17   8.163  -1.440  -4.569
  127    HB2  GLN  17           2HB      GLN  17  10.209  -1.615  -5.830
  128    HB3  GLN  17           1HB      GLN  17   8.886  -1.450  -6.985
  129    HG2  GLN  17           2HG      GLN  17   9.354   1.067  -6.936
  130    HG3  GLN  17           1HG      GLN  17  10.856   0.665  -6.105
  131   HE21  GLN  17          1HE2      GLN  17  12.339   1.138  -7.803
  132   HE22  GLN  17          2HE2      GLN  17  12.335   0.320  -9.291
  133    H    LEU  18           H        LEU  18   8.085   1.892  -4.566
  134    HA   LEU  18           HA       LEU  18  10.339   2.104  -2.666
  135    HB2  LEU  18           2HB      LEU  18   8.891   4.326  -4.130
  136    HB3  LEU  18           1HB      LEU  18  10.333   4.489  -3.129
  137    HG   LEU  18           HG       LEU  18  10.156   2.830  -5.661
  138   HD11  LEU  18          1HD1      LEU  18  10.055   5.254  -6.111
  139   HD12  LEU  18          2HD1      LEU  18  11.604   4.586  -6.624
  140   HD13  LEU  18          3HD1      LEU  18  11.492   5.501  -5.120
  141   HD21  LEU  18          3HD2      LEU  18  11.831   1.836  -4.345
  142   HD22  LEU  18          1HD2      LEU  18  12.309   3.373  -3.626
  143   HD23  LEU  18          2HD2      LEU  18  12.741   3.010  -5.297
  144    H    ALA  19           H        ALA  19   9.676   1.913  -0.619
  145    HA   ALA  19           HA       ALA  19   7.126   2.027   0.388
  146    HB1  ALA  19           1HB      ALA  19   9.109   1.286   1.673
  147    HB2  ALA  19           2HB      ALA  19   8.121   2.432   2.579
  148    HB3  ALA  19           3HB      ALA  19   9.621   2.968   1.821
  149    H    ASN  20           H        ASN  20   8.952   4.612  -0.859
  150    HA   ASN  20           HA       ASN  20   7.645   6.702   0.666
  151    HB2  ASN  20           2HB      ASN  20   9.419   6.782  -1.786
  152    HB3  ASN  20           1HB      ASN  20   8.806   8.212  -0.958
  153   HD21  ASN  20          1HD2      ASN  20  11.638   6.871  -1.226
  154   HD22  ASN  20          2HD2      ASN  20  12.204   6.874   0.374
  155    H    GLN  21           H        GLN  21   7.544   5.482  -2.672
  156    HA   GLN  21           HA       GLN  21   5.490   7.185  -3.602
  157    HB2  GLN  21           2HB      GLN  21   6.374   4.427  -4.480
  158    HB3  GLN  21           1HB      GLN  21   5.173   5.386  -5.344
  159    HG2  GLN  21           2HG      GLN  21   7.958   6.384  -4.703
  160    HG3  GLN  21           1HG      GLN  21   7.527   5.619  -6.231
  161   HE21  GLN  21          1HE2      GLN  21   8.139   8.588  -5.195
  162   HE22  GLN  21          2HE2      GLN  21   6.961   9.486  -6.024
  163    H    CYS  22           H        CYS  22   5.458   4.072  -1.962
  164    HA   CYS  22           HA       CYS  22   2.817   3.301  -2.331
  165    HB2  CYS  22           2HB      CYS  22   4.269   2.929   0.280
  166    HB3  CYS  22           1HB      CYS  22   3.111   1.850  -0.498
  167    H    ASN  23           H        ASN  23   4.097   5.046   0.518
  168    HA   ASN  23           HA       ASN  23   1.525   5.518   1.621
  169    HB2  ASN  23           2HB      ASN  23   2.626   6.745   3.296
  170    HB3  ASN  23           1HB      ASN  23   3.793   5.520   2.809
  171   HD21  ASN  23          1HD2      ASN  23   3.952   8.524   3.804
  172   HD22  ASN  23          2HD2      ASN  23   5.094   9.192   2.741
  173    H    TYR  24           H        TYR  24   3.685   7.544  -0.341
  174    HA   TYR  24           HA       TYR  24   2.106   9.898  -0.196
  175    HB2  TYR  24           2HB      TYR  24   4.369   8.925  -1.837
  176    HB3  TYR  24           1HB      TYR  24   3.372  10.188  -2.559
  177    HD1  TYR  24           2HD      TYR  24   3.191  12.403  -1.535
  178    HD2  TYR  24           1HD      TYR  24   5.642   9.336   0.210
  179    HE1  TYR  24           2HE      TYR  24   4.287  14.098  -0.095
  180    HE2  TYR  24           1HE      TYR  24   6.738  11.033   1.650
  181    HH   TYR  24           HH       TYR  24   6.562  13.167   2.434
  182    H    ASP  25           H        ASP  25   2.369   7.399  -2.726
  183    HA   ASP  25           HA       ASP  25   0.375   8.462  -4.416
  184    HB2  ASP  25           2HB      ASP  25   1.306   5.604  -4.103
  185    HB3  ASP  25           1HB      ASP  25   0.357   6.224  -5.452
  186    H    CYS  26           H        CYS  26   0.207   5.980  -1.868
  187    HA   CYS  26           HA       CYS  26  -2.499   5.298  -2.210
  188    HB2  CYS  26           2HB      CYS  26  -0.716   5.250   0.231
  189    HB3  CYS  26           1HB      CYS  26  -2.351   4.590   0.217
  190    H    LYS  27           H        LYS  27  -0.956   7.825  -0.256
  191    HA   LYS  27           HA       LYS  27  -3.232   8.783   1.072
  192    HB2  LYS  27           2HB      LYS  27  -0.649  10.053   0.200
  193    HB3  LYS  27           1HB      LYS  27  -1.910  11.021   0.962
  194    HG2  LYS  27           2HG      LYS  27  -1.810   9.781   2.971
  195    HG3  LYS  27           1HG      LYS  27  -0.961   8.440   2.202
  196    HD2  LYS  27           2HD      LYS  27   0.590   9.768   3.577
  197    HD3  LYS  27           1HD      LYS  27   1.016   9.891   1.870
  198    HE2  LYS  27           2HE      LYS  27  -0.826  11.912   3.132
  199    HE3  LYS  27           1HE      LYS  27   0.923  12.078   3.282
  200    HZ1  LYS  27           3HZ      LYS  27   0.949  12.940   1.258
  201    HZ2  LYS  27           1HZ      LYS  27  -0.718  12.686   1.077
  202    HZ3  LYS  27           2HZ      LYS  27   0.380  11.469   0.627
  203    H    LEU  28           H        LEU  28  -1.877   9.585  -2.096
  204    HA   LEU  28           HA       LEU  28  -3.820  11.575  -2.751
  205    HB2  LEU  28           2HB      LEU  28  -2.011   9.930  -4.540
  206    HB3  LEU  28           1HB      LEU  28  -2.919  11.358  -5.035
  207    HG   LEU  28           HG       LEU  28  -0.939  11.398  -2.747
  208   HD11  LEU  28          1HD1      LEU  28   0.628  12.445  -4.368
  209   HD12  LEU  28          2HD1      LEU  28  -0.513  12.103  -5.668
  210   HD13  LEU  28          3HD1      LEU  28   0.255  10.776  -4.796
  211   HD21  LEU  28          3HD2      LEU  28  -2.482  13.443  -4.340
  212   HD22  LEU  28          1HD2      LEU  28  -0.990  13.891  -3.513
  213   HD23  LEU  28          2HD2      LEU  28  -2.360  13.274  -2.590
  214    H    ASP  29           H        ASP  29  -3.612   8.096  -3.175
  215    HA   ASP  29           HA       ASP  29  -6.004   8.085  -4.868
  216    HB2  ASP  29           2HB      ASP  29  -4.075   5.911  -4.057
  217    HB3  ASP  29           1HB      ASP  29  -5.493   5.645  -5.069
  218    H    LYS  30           H        LYS  30  -4.924   6.148  -2.048
  219    HA   LYS  30           HA       LYS  30  -7.763   5.732  -1.402
  220    HB2  LYS  30           2HB      LYS  30  -5.371   4.242  -0.321
  221    HB3  LYS  30           1HB      LYS  30  -7.068   3.766  -0.224
  222    HG2  LYS  30           2HG      LYS  30  -5.407   4.020  -2.749
  223    HG3  LYS  30           1HG      LYS  30  -6.017   2.527  -2.035
  224    HD2  LYS  30           2HD      LYS  30  -8.360   3.616  -2.277
  225    HD3  LYS  30           1HD      LYS  30  -7.568   4.725  -3.396
  226    HE2  LYS  30           2HE      LYS  30  -6.690   2.703  -4.635
  227    HE3  LYS  30           1HE      LYS  30  -7.730   1.710  -3.616
  228    HZ1  LYS  30           3HZ      LYS  30  -9.625   3.068  -4.381
  229    HZ2  LYS  30           1HZ      LYS  30  -8.876   2.209  -5.636
  230    HZ3  LYS  30           2HZ      LYS  30  -8.587   3.874  -5.458
  231    H    HIS  31           H        HIS  31  -5.826   8.059  -0.574
  232    HA   HIS  31           HA       HIS  31  -5.489   9.364   1.303
  233    HB2  HIS  31           2HB      HIS  31  -8.100   8.177   2.239
  234    HB3  HIS  31           1HB      HIS  31  -7.458   9.789   2.557
  235    HD2  HIS  31           2HD      HIS  31  -9.593   7.981  -0.115
  236    HE1  HIS  31           1HE      HIS  31  -8.677  11.801  -1.662
  237    HE2  HIS  31           2HE      HIS  31 -10.094   9.721  -1.997
  238    H    ALA  32           H        ALA  32  -4.483   6.551   1.421
  239    HA   ALA  32           HA       ALA  32  -4.866   5.524   4.042
  240    HB1  ALA  32           1HB      ALA  32  -3.850   4.353   1.969
  241    HB2  ALA  32           2HB      ALA  32  -3.134   4.012   3.545
  242    HB3  ALA  32           3HB      ALA  32  -2.343   5.139   2.443
  243    H    ARG  33           H        ARG  33  -3.356   5.574   5.825
  244    HA   ARG  33           HA       ARG  33  -2.326   8.225   6.275
  245    HB2  ARG  33           2HB      ARG  33  -2.024   5.758   7.996
  246    HB3  ARG  33           1HB      ARG  33  -1.774   7.431   8.496
  247    HG2  ARG  33           2HG      ARG  33  -4.406   6.497   7.346
  248    HG3  ARG  33           1HG      ARG  33  -4.054   6.381   9.070
  249    HD2  ARG  33           2HD      ARG  33  -3.476   8.851   9.005
  250    HD3  ARG  33           1HD      ARG  33  -4.134   8.885   7.372
  251    HE   ARG  33           HE       ARG  33  -5.642   8.853   9.798
  252   HH11  ARG  33          1HH2      ARG  33  -5.544   7.685   6.542
  253   HH12  ARG  33          2HH2      ARG  33  -7.264   7.551   6.390
  254   HH21  ARG  33          1HH1      ARG  33  -7.901   8.679   9.607
  255   HH22  ARG  33          2HH1      ARG  33  -8.598   8.114   8.126
  256    H    SER  34           H        SER  34  -0.857   4.987   6.023
  257    HA   SER  34           HA       SER  34   1.720   6.319   5.445
  258    HB2  SER  34           2HB      SER  34   1.067   4.131   7.364
  259    HB3  SER  34           1HB      SER  34   2.631   4.104   6.555
  260    HG   SER  34           HG       SER  34   2.874   6.307   7.282
  261    H    GLY  35           H        GLY  35  -0.656   4.321   4.254
  262    HA2  GLY  35           2HA      GLY  35  -0.615   2.500   2.756
  263    HA3  GLY  35           1HA      GLY  35   0.186   3.757   1.820
  264    H    GLU  36           H        GLU  36   0.522   0.707   3.302
  265    HA   GLU  36           HA       GLU  36   3.446   0.743   2.851
  266    HB2  GLU  36           2HB      GLU  36   1.785  -0.981   4.704
  267    HB3  GLU  36           1HB      GLU  36   3.508  -1.213   4.409
  268    HG2  GLU  36           2HG      GLU  36   3.549   0.132   6.314
  269    HG3  GLU  36           1HG      GLU  36   3.665   1.339   5.034
  270    H    CYS  37           H        CYS  37   4.242  -0.536   1.300
  271    HA   CYS  37           HA       CYS  37   2.388  -2.409  -0.026
  272    HB2  CYS  37           2HB      CYS  37   4.801  -0.883  -0.974
  273    HB3  CYS  37           1HB      CYS  37   4.161  -2.254  -1.878
  274    H    PHE  38           H        PHE  38   2.794  -4.535  -0.112
  275    HA   PHE  38           HA       PHE  38   5.432  -5.490   0.823
  276    HB2  PHE  38           2HB      PHE  38   2.746  -6.763   1.404
  277    HB3  PHE  38           1HB      PHE  38   4.319  -7.358   1.935
  278    HD1  PHE  38           1HD      PHE  38   1.763  -4.747   2.382
  279    HD2  PHE  38           2HD      PHE  38   5.582  -6.218   3.685
  280    HE1  PHE  38           1HE      PHE  38   1.652  -3.270   4.370
  281    HE2  PHE  38           2HE      PHE  38   5.473  -4.741   5.674
  282    HZ   PHE  38           HZ       PHE  38   3.508  -3.267   6.017
  283    H    TYR  39           H        TYR  39   5.967  -7.682   0.060
  284    HA   TYR  39           HA       TYR  39   5.041  -8.047  -2.703
  285    HB2  TYR  39           2HB      TYR  39   7.322  -9.482  -1.340
  286    HB3  TYR  39           1HB      TYR  39   7.036  -9.294  -3.070
  287    HD1  TYR  39           1HD      TYR  39   7.850  -7.430   0.050
  288    HD2  TYR  39           2HD      TYR  39   7.797  -7.372  -4.244
  289    HE1  TYR  39           1HE      TYR  39   9.158  -5.323   0.063
  290    HE2  TYR  39           2HE      TYR  39   9.104  -5.265  -4.232
  291    HH   TYR  39           HH       TYR  39   9.515  -3.374  -1.474
  292    H    ASP  40           H        ASP  40   3.722  -9.661  -3.259
  293    HA   ASP  40           HA       ASP  40   3.038 -11.667  -1.224
  294    HB2  ASP  40           2HB      ASP  40   1.663 -10.609  -3.674
  295    HB3  ASP  40           1HB      ASP  40   1.191 -12.164  -2.993
  296    H    GLU  41           H        GLU  41   2.217 -13.800  -2.502
  297    HA   GLU  41           HA       GLU  41   4.580 -15.103  -3.352
  298    HB2  GLU  41           2HB      GLU  41   1.684 -15.925  -3.660
  299    HB3  GLU  41           1HB      GLU  41   3.070 -16.985  -3.917
  300    HG2  GLU  41           2HG      GLU  41   2.491 -15.530  -1.322
  301    HG3  GLU  41           1HG      GLU  41   2.071 -17.213  -1.632
  302    H    LYS  42           H        LYS  42   2.027 -13.444  -5.062
  303    HA   LYS  42           HA       LYS  42   2.627 -14.475  -7.660
  304    HB2  LYS  42           2HB      LYS  42   1.329 -11.816  -7.062
  305    HB3  LYS  42           1HB      LYS  42   1.106 -12.841  -8.479
  306    HG2  LYS  42           2HG      LYS  42   0.315 -13.600  -5.651
  307    HG3  LYS  42           1HG      LYS  42  -0.799 -13.020  -6.891
  308    HD2  LYS  42           2HD      LYS  42   0.076 -14.949  -8.346
  309    HD3  LYS  42           1HD      LYS  42   0.781 -15.593  -6.864
  310    HE2  LYS  42           2HE      LYS  42  -2.129 -15.167  -7.527
  311    HE3  LYS  42           1HE      LYS  42  -1.332 -16.637  -6.964
  312    HZ1  LYS  42           3HZ      LYS  42  -1.786 -14.158  -5.394
  313    HZ2  LYS  42           1HZ      LYS  42  -0.896 -15.494  -4.845
  314    HZ3  LYS  42           2HZ      LYS  42  -2.555 -15.656  -5.169
  315    H    ARG  43           H        ARG  43   4.545 -12.766  -5.690
  316    HA   ARG  43           HA       ARG  43   6.437 -11.503  -5.994
  317    HB2  ARG  43           2HB      ARG  43   6.130 -11.982  -8.959
  318    HB3  ARG  43           1HB      ARG  43   7.614 -11.698  -8.047
  319    HG2  ARG  43           2HG      ARG  43   5.825 -14.142  -7.880
  320    HG3  ARG  43           1HG      ARG  43   7.458 -14.072  -8.544
  321    HD2  ARG  43           2HD      ARG  43   6.572 -13.928  -5.681
  322    HD3  ARG  43           1HD      ARG  43   7.870 -14.880  -6.398
  323    HE   ARG  43           HE       ARG  43   8.214 -11.975  -6.432
  324   HH11  ARG  43          1HH2      ARG  43   8.860 -15.040  -4.960
  325   HH12  ARG  43          2HH2      ARG  43  10.269 -14.492  -4.114
  326   HH21  ARG  43          1HH1      ARG  43  10.060 -11.249  -5.324
  327   HH22  ARG  43          2HH1      ARG  43  10.947 -12.346  -4.320
  328    H    ASN  44           H        ASN  44   3.568 -10.475  -6.438
  329    HA   ASN  44           HA       ASN  44   4.252  -7.987  -7.876
  330    HB2  ASN  44           2HB      ASN  44   2.140  -7.938  -8.675
  331    HB3  ASN  44           1HB      ASN  44   2.074  -9.634  -8.202
  332   HD21  ASN  44          1HD2      ASN  44   0.071  -7.180  -8.089
  333   HD22  ASN  44          2HD2      ASN  44  -0.585  -7.324  -6.530
  334    H    LEU  45           H        LEU  45   3.613  -5.970  -6.943
  335    HA   LEU  45           HA       LEU  45   3.907  -5.959  -4.046
  336    HB2  LEU  45           2HB      LEU  45   3.521  -3.515  -5.757
  337    HB3  LEU  45           1HB      LEU  45   4.419  -3.680  -4.248
  338    HG   LEU  45           HG       LEU  45   5.182  -4.858  -6.935
  339   HD11  LEU  45          1HD1      LEU  45   6.262  -2.617  -5.218
  340   HD12  LEU  45          2HD1      LEU  45   5.757  -2.549  -6.908
  341   HD13  LEU  45          3HD1      LEU  45   7.241  -3.394  -6.462
  342   HD21  LEU  45          3HD2      LEU  45   7.281  -5.510  -5.637
  343   HD22  LEU  45          1HD2      LEU  45   5.834  -6.441  -5.255
  344   HD23  LEU  45          2HD2      LEU  45   6.372  -5.162  -4.167
  345    H    GLN  46           H        GLN  46   2.219  -5.998  -2.723
  346    HA   GLN  46           HA       GLN  46  -0.408  -5.114  -3.713
  347    HB2  GLN  46           2HB      GLN  46   0.395  -6.789  -1.324
  348    HB3  GLN  46           1HB      GLN  46  -1.260  -6.274  -1.654
  349    HG2  GLN  46           2HG      GLN  46   0.443  -7.838  -3.610
  350    HG3  GLN  46           1HG      GLN  46  -0.729  -8.574  -2.519
  351   HE21  GLN  46          1HE2      GLN  46  -0.961  -8.682  -5.413
  352   HE22  GLN  46          2HE2      GLN  46  -2.358  -7.819  -5.841
  353    H    CYS  47           H        CYS  47  -1.250  -3.242  -3.068
  354    HA   CYS  47           HA       CYS  47   0.168  -1.636  -1.097
  355    HB2  CYS  47           2HB      CYS  47  -2.128  -1.096  -2.978
  356    HB3  CYS  47           1HB      CYS  47  -1.615   0.072  -1.760
  357    H    ILE  48           H        ILE  48  -0.271  -1.978   0.990
  358    HA   ILE  48           HA       ILE  48  -3.039  -2.633   1.772
  359    HB   ILE  48           HB       ILE  48  -0.521  -2.884   3.430
  360   HG12  ILE  48          2HG1      ILE  48  -2.008  -4.941   1.765
  361   HG13  ILE  48          1HG1      ILE  48  -0.366  -4.361   1.486
  362   HG21  ILE  48          1HG2      ILE  48  -1.902  -4.212   4.898
  363   HG22  ILE  48          2HG2      ILE  48  -3.244  -4.173   3.755
  364   HG23  ILE  48          3HG2      ILE  48  -2.758  -2.700   4.595
  365   HD11  ILE  48          3HD1      ILE  48  -1.395  -6.107   3.713
  366   HD12  ILE  48          1HD1      ILE  48   0.081  -5.163   3.925
  367   HD13  ILE  48          2HD1      ILE  48  -0.015  -6.375   2.646
  368    H    CYS  49           H        CYS  49  -4.067  -0.710   2.022
  369    HA   CYS  49           HA       CYS  49  -2.800   1.583   3.225
  370    HB2  CYS  49           2HB      CYS  49  -5.713   1.047   2.606
  371    HB3  CYS  49           1HB      CYS  49  -5.028   2.609   3.055
  372    H    ASP  50           H        ASP  50  -2.780   2.175   5.311
  373    HA   ASP  50           HA       ASP  50  -4.323   0.522   7.220
  374    HB2  ASP  50           2HB      ASP  50  -2.577   0.831   8.817
  375    HB3  ASP  50           1HB      ASP  50  -1.797   0.373   7.302
  376    H    TYR  51           H        TYR  51  -5.435   1.515   8.886
  377    HA   TYR  51           HA       TYR  51  -5.650   4.459   8.694
  378    HB2  TYR  51           2HB      TYR  51  -7.669   2.403   9.628
  379    HB3  TYR  51           1HB      TYR  51  -7.873   4.141   9.831
  380    HD1  TYR  51           1HD      TYR  51  -6.958   1.686   7.146
  381    HD2  TYR  51           2HD      TYR  51  -9.036   5.299   8.182
  382    HE1  TYR  51           1HE      TYR  51  -7.821   1.855   4.828
  383    HE2  TYR  51           2HE      TYR  51  -9.900   5.469   5.864
  384    HH   TYR  51           HH       TYR  51  -8.812   3.263   3.335
  385    H    CYS  52           H        CYS  52  -4.078   5.073  10.139
  386    HA   CYS  52           HA       CYS  52  -3.422   5.748  12.253
  387    HB2  CYS  52           2HB      CYS  52  -5.411   3.871  13.495
  388    HB3  CYS  52           1HB      CYS  52  -4.804   5.411  14.107
  389    H    GLU  53           H        GLU  53  -4.469   2.384  12.827
  390    HA   GLU  53           HA       GLU  53  -2.004   1.733  14.132
  391    HB2  GLU  53           2HB      GLU  53  -4.214  -0.088  13.148
  392    HB3  GLU  53           1HB      GLU  53  -2.924  -0.536  14.266
  393    HG2  GLU  53           2HG      GLU  53  -4.941   1.672  14.763
  394    HG3  GLU  53           1HG      GLU  53  -5.049   0.047  15.438
  395    H    TYR  54           H        TYR  54  -0.159   1.061  13.264
  396    HA   TYR  54           HA       TYR  54  -0.035   0.521  10.400
  397    HB2  TYR  54           2HB      TYR  54   2.258   0.515  12.367
  398    HB3  TYR  54           1HB      TYR  54   2.328   0.740  10.620
  399    HD1  TYR  54           2HD      TYR  54   1.647   2.848   9.583
  400    HD2  TYR  54           1HD      TYR  54   1.476   2.305  13.841
  401    HE1  TYR  54           2HE      TYR  54   1.372   5.294   9.884
  402    HE2  TYR  54           1HE      TYR  54   1.201   4.751  14.142
  403    HH   TYR  54           HH       TYR  54   1.936   6.967  11.936
  Start of MODEL    9
    1    H1   ASP   2           H        ASP   2  -8.317  -7.464  12.751
    2    HA   ASP   2           HA       ASP   2  -8.121  -5.155  12.873
    3    HB2  ASP   2           2HB      ASP   2  -5.946  -4.337  11.942
    4    HB3  ASP   2           1HB      ASP   2  -5.788  -5.769  12.956
    5    H    LYS   3           H        LYS   3  -9.940  -4.432  11.763
    6    HA   LYS   3           HA       LYS   3 -10.274  -4.339   8.985
    7    HB2  LYS   3           2HB      LYS   3 -11.373  -2.517  11.138
    8    HB3  LYS   3           1HB      LYS   3 -11.932  -2.530   9.466
    9    HG2  LYS   3           2HG      LYS   3 -12.467  -4.962   9.711
   10    HG3  LYS   3           1HG      LYS   3 -12.029  -4.849  11.417
   11    HD2  LYS   3           2HD      LYS   3 -13.757  -3.078  11.711
   12    HD3  LYS   3           1HD      LYS   3 -14.235  -3.300  10.028
   13    HE2  LYS   3           2HE      LYS   3 -14.237  -5.520  12.091
   14    HE3  LYS   3           1HE      LYS   3 -15.664  -4.578  11.654
   15    HZ1  LYS   3           3HZ      LYS   3 -15.815  -6.384  10.260
   16    HZ2  LYS   3           1HZ      LYS   3 -14.139  -6.500  10.028
   17    HZ3  LYS   3           2HZ      LYS   3 -15.017  -5.262   9.265
   18    H    CYS   4           H        CYS   4  -8.567  -2.195  11.173
   19    HA   CYS   4           HA       CYS   4  -8.284   0.111   9.708
   20    HB2  CYS   4           2HB      CYS   4  -5.898  -1.127  11.055
   21    HB3  CYS   4           1HB      CYS   4  -6.369   0.571  10.980
   22    H    LYS   5           H        LYS   5  -7.191  -3.030   8.886
   23    HA   LYS   5           HA       LYS   5  -5.287  -2.000   6.898
   24    HB2  LYS   5           2HB      LYS   5  -5.909  -4.844   7.723
   25    HB3  LYS   5           1HB      LYS   5  -4.646  -4.351   6.595
   26    HG2  LYS   5           2HG      LYS   5  -4.798  -3.354   9.449
   27    HG3  LYS   5           1HG      LYS   5  -3.851  -4.760   8.966
   28    HD2  LYS   5           2HD      LYS   5  -2.818  -3.168   7.185
   29    HD3  LYS   5           1HD      LYS   5  -3.458  -1.874   8.200
   30    HE2  LYS   5           2HE      LYS   5  -2.221  -2.729  10.127
   31    HE3  LYS   5           1HE      LYS   5  -1.638  -4.094   9.176
   32    HZ1  LYS   5           3HZ      LYS   5  -0.041  -2.220   9.368
   33    HZ2  LYS   5           1HZ      LYS   5  -1.120  -1.257   8.483
   34    HZ3  LYS   5           2HZ      LYS   5  -0.427  -2.634   7.766
   35    H    LYS   6           H        LYS   6  -5.775  -1.860   4.804
   36    HA   LYS   6           HA       LYS   6  -7.950  -3.502   3.707
   37    HB2  LYS   6           2HB      LYS   6  -7.770  -0.485   3.544
   38    HB3  LYS   6           1HB      LYS   6  -8.742  -1.448   2.432
   39    HG2  LYS   6           2HG      LYS   6 -10.061  -2.344   4.257
   40    HG3  LYS   6           1HG      LYS   6  -9.014  -1.571   5.447
   41    HD2  LYS   6           2HD      LYS   6 -11.070  -0.258   5.130
   42    HD3  LYS   6           1HD      LYS   6  -9.664   0.649   4.569
   43    HE2  LYS   6           2HE      LYS   6 -10.199   0.336   2.313
   44    HE3  LYS   6           1HE      LYS   6 -11.195  -1.082   2.644
   45    HZ1  LYS   6           3HZ      LYS   6 -11.873   1.737   2.784
   46    HZ2  LYS   6           1HZ      LYS   6 -12.491   0.774   4.038
   47    HZ3  LYS   6           2HZ      LYS   6 -12.853   0.397   2.421
   48    H    VAL   7           H        VAL   7  -7.074  -4.590   2.082
   49    HA   VAL   7           HA       VAL   7  -4.679  -3.633   0.757
   50    HB   VAL   7           HB       VAL   7  -6.314  -6.110   0.178
   51   HG11  VAL   7          1HG1      VAL   7  -4.736  -5.477  -1.599
   52   HG12  VAL   7          2HG1      VAL   7  -4.163  -6.917  -0.757
   53   HG13  VAL   7          3HG1      VAL   7  -3.436  -5.348  -0.414
   54   HG21  VAL   7          3HG2      VAL   7  -3.977  -5.654   2.061
   55   HG22  VAL   7          1HG2      VAL   7  -4.615  -7.239   1.626
   56   HG23  VAL   7          2HG2      VAL   7  -5.620  -6.099   2.522
   57    H    TYR   8           H        TYR   8  -4.548  -2.663  -1.162
   58    HA   TYR   8           HA       TYR   8  -7.022  -2.430  -2.768
   59    HB2  TYR   8           2HB      TYR   8  -4.796  -0.483  -2.212
   60    HB3  TYR   8           1HB      TYR   8  -5.791  -0.325  -3.661
   61    HD1  TYR   8           2HD      TYR   8  -8.184   0.180  -3.507
   62    HD2  TYR   8           1HD      TYR   8  -5.750  -0.173   0.016
   63    HE1  TYR   8           2HE      TYR   8  -9.980   1.235  -2.160
   64    HE2  TYR   8           1HE      TYR   8  -7.546   0.882   1.362
   65    HH   TYR   8           HH       TYR   8 -10.016   2.603   0.103
   66    H    GLU   9           H        GLU   9  -6.489  -4.386  -3.893
   67    HA   GLU   9           HA       GLU   9  -4.063  -4.698  -5.357
   68    HB2  GLU   9           2HB      GLU   9  -6.761  -5.959  -5.899
   69    HB3  GLU   9           1HB      GLU   9  -5.194  -6.537  -6.466
   70    HG2  GLU   9           2HG      GLU   9  -5.577  -7.865  -4.569
   71    HG3  GLU   9           1HG      GLU   9  -4.553  -6.574  -3.944
   72    H    ASN  10           H        ASN  10  -4.074  -4.899  -7.787
   73    HA   ASN  10           HA       ASN  10  -4.315  -3.952  -9.867
   74    HB2  ASN  10           2HB      ASN  10  -6.885  -2.675  -8.972
   75    HB3  ASN  10           1HB      ASN  10  -6.448  -3.285 -10.567
   76   HD21  ASN  10          1HD2      ASN  10  -8.840  -4.217  -9.601
   77   HD22  ASN  10          2HD2      ASN  10  -8.697  -5.823  -9.072
   78    H    TYR  11           H        TYR  11  -3.979  -2.289  -7.025
   79    HA   TYR  11           HA       TYR  11  -3.750   0.301  -8.410
   80    HB2  TYR  11           2HB      TYR  11  -4.452  -0.477  -5.640
   81    HB3  TYR  11           1HB      TYR  11  -3.503   1.000  -5.828
   82    HD1  TYR  11           2HD      TYR  11  -4.393   2.931  -7.045
   83    HD2  TYR  11           1HD      TYR  11  -6.706  -0.658  -6.570
   84    HE1  TYR  11           2HE      TYR  11  -6.431   4.150  -7.762
   85    HE2  TYR  11           1HE      TYR  11  -8.743   0.562  -7.288
   86    HH   TYR  11           HH       TYR  11  -9.063   3.763  -7.295
   87    HA   PRO  12           HA       PRO  12   0.472  -0.505  -6.221
   88    HB2  PRO  12           2HB      PRO  12   1.308  -3.093  -6.268
   89    HB3  PRO  12           1HB      PRO  12   0.298  -2.464  -4.954
   90    HG2  PRO  12           2HG      PRO  12  -0.456  -4.186  -7.265
   91    HG3  PRO  12           1HG      PRO  12  -1.063  -4.194  -5.600
   92    HD2  PRO  12           2HD      PRO  12  -2.373  -3.001  -7.761
   93    HD3  PRO  12           1HD      PRO  12  -2.670  -2.605  -6.052
   94    H    VAL  13           H        VAL  13   2.296  -0.153  -7.501
   95    HA   VAL  13           HA       VAL  13   2.394  -1.471 -10.144
   96    HB   VAL  13           HB       VAL  13   2.878   1.471  -9.644
   97   HG11  VAL  13          1HG1      VAL  13   2.750   1.435 -12.217
   98   HG12  VAL  13          2HG1      VAL  13   2.990  -0.307 -12.080
   99   HG13  VAL  13          3HG1      VAL  13   4.220   0.806 -11.477
  100   HG21  VAL  13          3HG2      VAL  13   0.523   1.103  -9.463
  101   HG22  VAL  13          1HG2      VAL  13   0.529  -0.043 -10.802
  102   HG23  VAL  13          2HG2      VAL  13   0.795   1.673 -11.110
  103    H    SER  14           H        SER  14   4.520  -1.324 -11.189
  104    HA   SER  14           HA       SER  14   6.640  -2.188  -9.655
  105    HB2  SER  14           2HB      SER  14   6.845  -0.505 -12.167
  106    HB3  SER  14           1HB      SER  14   8.091  -1.567 -11.518
  107    HG   SER  14           HG       SER  14   6.370  -2.269 -13.234
  108    H    LYS  15           H        LYS  15   5.424   1.027 -10.136
  109    HA   LYS  15           HA       LYS  15   7.724   2.443  -9.177
  110    HB2  LYS  15           2HB      LYS  15   4.814   3.262  -9.383
  111    HB3  LYS  15           1HB      LYS  15   6.139   4.355  -8.988
  112    HG2  LYS  15           2HG      LYS  15   7.232   3.744 -11.152
  113    HG3  LYS  15           1HG      LYS  15   5.813   2.777 -11.555
  114    HD2  LYS  15           2HD      LYS  15   4.404   4.836 -11.278
  115    HD3  LYS  15           1HD      LYS  15   5.886   5.767 -11.059
  116    HE2  LYS  15           2HE      LYS  15   5.215   5.929 -13.388
  117    HE3  LYS  15           1HE      LYS  15   6.669   4.936 -13.293
  118    HZ1  LYS  15           3HZ      LYS  15   4.252   4.240 -14.421
  119    HZ2  LYS  15           1HZ      LYS  15   4.343   3.347 -12.981
  120    HZ3  LYS  15           2HZ      LYS  15   5.581   3.220 -14.137
  121    H    CYS  16           H        CYS  16   5.000   0.845  -7.721
  122    HA   CYS  16           HA       CYS  16   5.045   2.154  -5.202
  123    HB2  CYS  16           2HB      CYS  16   4.040  -0.566  -6.065
  124    HB3  CYS  16           1HB      CYS  16   3.845   0.062  -4.428
  125    H    GLN  17           H        GLN  17   7.098  -0.178  -6.672
  126    HA   GLN  17           HA       GLN  17   8.125  -1.650  -4.582
  127    HB2  GLN  17           2HB      GLN  17  10.169  -1.826  -5.844
  128    HB3  GLN  17           1HB      GLN  17   8.835  -1.771  -6.998
  129    HG2  GLN  17           2HG      GLN  17   9.218   0.760  -7.093
  130    HG3  GLN  17           1HG      GLN  17  10.736   0.456  -6.248
  131   HE21  GLN  17          1HE2      GLN  17  12.191   0.889  -7.982
  132   HE22  GLN  17          2HE2      GLN  17  12.212  -0.013  -9.420
  133    H    LEU  18           H        LEU  18   7.953   1.681  -4.789
  134    HA   LEU  18           HA       LEU  18  10.216   2.082  -2.934
  135    HB2  LEU  18           2HB      LEU  18   8.633   4.156  -4.473
  136    HB3  LEU  18           1HB      LEU  18  10.084   4.440  -3.512
  137    HG   LEU  18           HG       LEU  18   9.947   2.638  -5.947
  138   HD11  LEU  18          1HD1      LEU  18   9.737   4.900  -6.706
  139   HD12  LEU  18          2HD1      LEU  18  11.436   4.474  -6.911
  140   HD13  LEU  18          3HD1      LEU  18  10.935   5.472  -5.546
  141   HD21  LEU  18          3HD2      LEU  18  12.525   2.989  -5.653
  142   HD22  LEU  18          1HD2      LEU  18  11.704   1.818  -4.621
  143   HD23  LEU  18          2HD2      LEU  18  12.104   3.417  -3.994
  144    H    ALA  19           H        ALA  19   9.540   1.841  -0.885
  145    HA   ALA  19           HA       ALA  19   6.989   1.996   0.133
  146    HB1  ALA  19           1HB      ALA  19   8.919   1.183   1.423
  147    HB2  ALA  19           2HB      ALA  19   8.020   2.402   2.325
  148    HB3  ALA  19           3HB      ALA  19   9.538   2.831   1.536
  149    H    ASN  20           H        ASN  20   8.810   4.527  -1.174
  150    HA   ASN  20           HA       ASN  20   7.607   6.651   0.397
  151    HB2  ASN  20           2HB      ASN  20   9.319   6.689  -2.099
  152    HB3  ASN  20           1HB      ASN  20   8.761   8.133  -1.256
  153   HD21  ASN  20          1HD2      ASN  20  11.550   6.704  -1.596
  154   HD22  ASN  20          2HD2      ASN  20  12.158   6.703  -0.011
  155    H    GLN  21           H        GLN  21   7.388   5.424  -2.932
  156    HA   GLN  21           HA       GLN  21   5.352   7.179  -3.810
  157    HB2  GLN  21           2HB      GLN  21   6.111   4.390  -4.717
  158    HB3  GLN  21           1HB      GLN  21   4.965   5.429  -5.565
  159    HG2  GLN  21           2HG      GLN  21   7.791   6.289  -4.916
  160    HG3  GLN  21           1HG      GLN  21   7.350   5.514  -6.436
  161   HE21  GLN  21          1HE2      GLN  21   8.281   8.351  -5.928
  162   HE22  GLN  21          2HE2      GLN  21   7.063   9.333  -6.586
  163    H    CYS  22           H        CYS  22   5.296   4.073  -2.161
  164    HA   CYS  22           HA       CYS  22   2.613   3.382  -2.482
  165    HB2  CYS  22           2HB      CYS  22   4.103   2.875   0.078
  166    HB3  CYS  22           1HB      CYS  22   2.938   1.841  -0.749
  167    H    ASN  23           H        ASN  23   4.059   5.002   0.360
  168    HA   ASN  23           HA       ASN  23   1.557   5.507   1.593
  169    HB2  ASN  23           2HB      ASN  23   2.768   6.702   3.230
  170    HB3  ASN  23           1HB      ASN  23   3.855   5.426   2.690
  171   HD21  ASN  23          1HD2      ASN  23   4.198   8.413   3.690
  172   HD22  ASN  23          2HD2      ASN  23   5.324   9.034   2.581
  173    H    TYR  24           H        TYR  24   3.671   7.547  -0.408
  174    HA   TYR  24           HA       TYR  24   2.142   9.921  -0.136
  175    HB2  TYR  24           2HB      TYR  24   4.307   8.951  -1.909
  176    HB3  TYR  24           1HB      TYR  24   3.308  10.263  -2.537
  177    HD1  TYR  24           2HD      TYR  24   3.234  12.443  -1.432
  178    HD2  TYR  24           1HD      TYR  24   5.684   9.259   0.089
  179    HE1  TYR  24           2HE      TYR  24   4.438  14.059   0.012
  180    HE2  TYR  24           1HE      TYR  24   6.888  10.877   1.534
  181    HH   TYR  24           HH       TYR  24   7.300  13.138   1.812
  182    H    ASP  25           H        ASP  25   2.260   7.504  -2.756
  183    HA   ASP  25           HA       ASP  25   0.200   8.645  -4.312
  184    HB2  ASP  25           2HB      ASP  25   1.090   5.760  -4.150
  185    HB3  ASP  25           1HB      ASP  25   0.125   6.466  -5.444
  186    H    CYS  26           H        CYS  26   0.133   6.154  -1.781
  187    HA   CYS  26           HA       CYS  26  -2.595   5.471  -2.048
  188    HB2  CYS  26           2HB      CYS  26  -0.679   5.314   0.283
  189    HB3  CYS  26           1HB      CYS  26  -2.333   4.705   0.365
  190    H    LYS  27           H        LYS  27  -0.940   7.905  -0.065
  191    HA   LYS  27           HA       LYS  27  -3.128   8.831   1.411
  192    HB2  LYS  27           2HB      LYS  27  -0.604  10.135   0.422
  193    HB3  LYS  27           1HB      LYS  27  -1.813  11.070   1.300
  194    HG2  LYS  27           2HG      LYS  27  -1.592   9.741   3.248
  195    HG3  LYS  27           1HG      LYS  27  -0.768   8.450   2.374
  196    HD2  LYS  27           2HD      LYS  27   0.864   9.708   3.685
  197    HD3  LYS  27           1HD      LYS  27   1.148   9.993   1.967
  198    HE2  LYS  27           2HE      LYS  27   0.125  12.143   2.049
  199    HE3  LYS  27           1HE      LYS  27  -0.573  11.832   3.638
  200    HZ1  LYS  27           3HZ      LYS  27   1.246  13.062   4.202
  201    HZ2  LYS  27           1HZ      LYS  27   2.191  12.486   2.916
  202    HZ3  LYS  27           2HZ      LYS  27   1.920  11.503   4.277
  203    H    LEU  28           H        LEU  28  -1.964   9.741  -1.805
  204    HA   LEU  28           HA       LEU  28  -3.954  11.745  -2.269
  205    HB2  LEU  28           2HB      LEU  28  -2.241  10.197  -4.229
  206    HB3  LEU  28           1HB      LEU  28  -3.166  11.653  -4.594
  207    HG   LEU  28           HG       LEU  28  -1.017  11.524  -2.462
  208   HD11  LEU  28          1HD1      LEU  28  -0.884  12.552  -5.314
  209   HD12  LEU  28          2HD1      LEU  28  -0.024  11.150  -4.677
  210   HD13  LEU  28          3HD1      LEU  28   0.376  12.767  -4.099
  211   HD21  LEU  28          3HD2      LEU  28  -2.398  13.349  -1.950
  212   HD22  LEU  28          1HD2      LEU  28  -2.768  13.670  -3.645
  213   HD23  LEU  28          2HD2      LEU  28  -1.185  14.091  -2.993
  214    H    ASP  29           H        ASP  29  -3.707   8.293  -2.919
  215    HA   ASP  29           HA       ASP  29  -6.223   8.347  -4.423
  216    HB2  ASP  29           2HB      ASP  29  -4.172   6.179  -3.972
  217    HB3  ASP  29           1HB      ASP  29  -5.661   5.955  -4.891
  218    H    LYS  30           H        LYS  30  -4.857   6.195  -1.900
  219    HA   LYS  30           HA       LYS  30  -7.596   5.517  -1.124
  220    HB2  LYS  30           2HB      LYS  30  -5.057   4.276  -0.080
  221    HB3  LYS  30           1HB      LYS  30  -6.683   3.588  -0.102
  222    HG2  LYS  30           2HG      LYS  30  -4.952   4.200  -2.515
  223    HG3  LYS  30           1HG      LYS  30  -5.397   2.602  -1.918
  224    HD2  LYS  30           2HD      LYS  30  -7.829   3.292  -2.258
  225    HD3  LYS  30           1HD      LYS  30  -7.213   4.688  -3.143
  226    HE2  LYS  30           2HE      LYS  30  -6.144   3.286  -4.775
  227    HE3  LYS  30           1HE      LYS  30  -6.447   1.838  -3.816
  228    HZ1  LYS  30           3HZ      LYS  30  -8.293   3.402  -5.460
  229    HZ2  LYS  30           1HZ      LYS  30  -8.912   2.667  -4.061
  230    HZ3  LYS  30           2HZ      LYS  30  -8.174   1.719  -5.263
  231    H    HIS  31           H        HIS  31  -5.642   7.924  -0.220
  232    HA   HIS  31           HA       HIS  31  -5.427   9.211   1.680
  233    HB2  HIS  31           2HB      HIS  31  -7.990   7.842   2.514
  234    HB3  HIS  31           1HB      HIS  31  -7.411   9.432   3.011
  235    HD2  HIS  31           2HD      HIS  31  -9.411   7.833   0.103
  236    HE1  HIS  31           1HE      HIS  31  -8.651  11.841  -0.985
  237    HE2  HIS  31           2HE      HIS  31  -9.956   9.747  -1.588
  238    H    ALA  32           H        ALA  32  -4.223   6.501   1.713
  239    HA   ALA  32           HA       ALA  32  -4.550   5.424   4.352
  240    HB1  ALA  32           1HB      ALA  32  -2.857   3.897   3.775
  241    HB2  ALA  32           2HB      ALA  32  -2.109   5.018   2.636
  242    HB3  ALA  32           3HB      ALA  32  -3.641   4.243   2.231
  243    H    ARG  33           H        ARG  33  -3.098   5.588   6.115
  244    HA   ARG  33           HA       ARG  33  -1.924   8.201   6.401
  245    HB2  ARG  33           2HB      ARG  33  -1.914   5.790   8.227
  246    HB3  ARG  33           1HB      ARG  33  -1.278   7.378   8.661
  247    HG2  ARG  33           2HG      ARG  33  -3.574   8.315   8.029
  248    HG3  ARG  33           1HG      ARG  33  -4.136   6.643   8.006
  249    HD2  ARG  33           2HD      ARG  33  -3.266   6.389  10.349
  250    HD3  ARG  33           1HD      ARG  33  -2.910   8.114  10.354
  251    HE   ARG  33           HE       ARG  33  -5.658   7.416   9.688
  252   HH11  ARG  33          1HH2      ARG  33  -3.331   8.269  12.104
  253   HH12  ARG  33          2HH2      ARG  33  -4.509   8.861  13.227
  254   HH21  ARG  33          1HH1      ARG  33  -7.209   8.192  11.157
  255   HH22  ARG  33          2HH1      ARG  33  -6.704   8.817  12.691
  256    H    SER  34           H        SER  34  -0.661   4.891   6.153
  257    HA   SER  34           HA       SER  34   2.023   6.056   5.708
  258    HB2  SER  34           2HB      SER  34   1.531   4.734   7.904
  259    HB3  SER  34           1HB      SER  34   1.641   3.319   6.862
  260    HG   SER  34           HG       SER  34   3.696   4.214   6.161
  261    H    GLY  35           H        GLY  35  -0.474   4.282   4.346
  262    HA2  GLY  35           2HA      GLY  35  -0.428   2.481   2.778
  263    HA3  GLY  35           1HA      GLY  35   0.201   3.858   1.879
  264    H    GLU  36           H        GLU  36   0.876   0.747   3.094
  265    HA   GLU  36           HA       GLU  36   3.707   1.012   2.275
  266    HB2  GLU  36           2HB      GLU  36   2.572  -0.744   4.468
  267    HB3  GLU  36           1HB      GLU  36   4.254  -0.736   3.937
  268    HG2  GLU  36           2HG      GLU  36   2.784   1.685   5.020
  269    HG3  GLU  36           1HG      GLU  36   3.872   0.672   5.968
  270    H    CYS  37           H        CYS  37   4.496  -0.532   0.914
  271    HA   CYS  37           HA       CYS  37   2.540  -2.501  -0.094
  272    HB2  CYS  37           2HB      CYS  37   4.913  -1.177  -1.410
  273    HB3  CYS  37           1HB      CYS  37   4.012  -2.507  -2.135
  274    H    PHE  38           H        PHE  38   2.950  -4.620   0.033
  275    HA   PHE  38           HA       PHE  38   5.672  -5.472   0.817
  276    HB2  PHE  38           2HB      PHE  38   3.077  -6.745   1.712
  277    HB3  PHE  38           1HB      PHE  38   4.704  -7.194   2.218
  278    HD1  PHE  38           1HD      PHE  38   2.035  -4.675   2.498
  279    HD2  PHE  38           2HD      PHE  38   5.987  -5.795   3.753
  280    HE1  PHE  38           1HE      PHE  38   1.943  -2.977   4.304
  281    HE2  PHE  38           2HE      PHE  38   5.896  -4.099   5.558
  282    HZ   PHE  38           HZ       PHE  38   3.874  -2.689   5.833
  283    H    TYR  39           H        TYR  39   6.128  -7.764   0.265
  284    HA   TYR  39           HA       TYR  39   5.104  -8.350  -2.414
  285    HB2  TYR  39           2HB      TYR  39   7.332  -9.703  -0.873
  286    HB3  TYR  39           1HB      TYR  39   6.973  -9.888  -2.590
  287    HD1  TYR  39           1HD      TYR  39   7.792  -7.273  -0.036
  288    HD2  TYR  39           2HD      TYR  39   7.995  -8.475  -4.155
  289    HE1  TYR  39           1HE      TYR  39   9.196  -5.294  -0.544
  290    HE2  TYR  39           2HE      TYR  39   9.400  -6.495  -4.663
  291    HH   TYR  39           HH       TYR  39  10.573  -4.369  -2.100
  292    H    ASP  40           H        ASP  40   3.538  -9.788  -2.725
  293    HA   ASP  40           HA       ASP  40   2.839 -11.628  -0.543
  294    HB2  ASP  40           2HB      ASP  40   1.375 -10.568  -2.944
  295    HB3  ASP  40           1HB      ASP  40   0.812 -12.021  -2.120
  296    H    GLU  41           H        GLU  41   1.674 -13.700  -1.712
  297    HA   GLU  41           HA       GLU  41   3.830 -15.300  -2.610
  298    HB2  GLU  41           2HB      GLU  41   0.845 -15.781  -2.747
  299    HB3  GLU  41           1HB      GLU  41   2.079 -17.005  -3.048
  300    HG2  GLU  41           2HG      GLU  41   1.477 -17.296  -0.769
  301    HG3  GLU  41           1HG      GLU  41   3.002 -16.415  -0.727
  302    H    LYS  42           H        LYS  42   1.430 -13.387  -4.267
  303    HA   LYS  42           HA       LYS  42   1.735 -14.579  -6.846
  304    HB2  LYS  42           2HB      LYS  42   0.883 -11.734  -6.301
  305    HB3  LYS  42           1HB      LYS  42   0.428 -12.767  -7.657
  306    HG2  LYS  42           2HG      LYS  42  -0.309 -13.273  -4.758
  307    HG3  LYS  42           1HG      LYS  42  -1.393 -12.606  -5.980
  308    HD2  LYS  42           2HD      LYS  42  -0.869 -14.715  -7.355
  309    HD3  LYS  42           1HD      LYS  42  -0.188 -15.373  -5.866
  310    HE2  LYS  42           2HE      LYS  42  -3.038 -14.626  -6.470
  311    HE3  LYS  42           1HE      LYS  42  -2.408 -16.111  -5.756
  312    HZ1  LYS  42           3HZ      LYS  42  -2.488 -13.434  -4.471
  313    HZ2  LYS  42           1HZ      LYS  42  -1.778 -14.816  -3.788
  314    HZ3  LYS  42           2HZ      LYS  42  -3.452 -14.775  -4.072
  315    H    ARG  43           H        ARG  43   3.964 -13.042  -5.033
  316    HA   ARG  43           HA       ARG  43   5.996 -12.073  -5.479
  317    HB2  ARG  43           2HB      ARG  43   5.451 -12.841  -8.356
  318    HB3  ARG  43           1HB      ARG  43   7.021 -12.500  -7.627
  319    HG2  ARG  43           2HG      ARG  43   6.984 -14.477  -6.336
  320    HG3  ARG  43           1HG      ARG  43   5.245 -14.681  -6.538
  321    HD2  ARG  43           2HD      ARG  43   7.334 -14.959  -8.717
  322    HD3  ARG  43           1HD      ARG  43   6.455 -16.280  -7.952
  323    HE   ARG  43           HE       ARG  43   4.627 -14.400  -9.049
  324   HH11  ARG  43          1HH2      ARG  43   6.915 -16.852  -9.901
  325   HH12  ARG  43          2HH2      ARG  43   6.115 -17.279 -11.377
  326   HH21  ARG  43          1HH1      ARG  43   3.574 -14.954 -10.984
  327   HH22  ARG  43          2HH1      ARG  43   4.224 -16.205 -11.990
  328    H    ASN  44           H        ASN  44   3.254 -10.718  -6.001
  329    HA   ASN  44           HA       ASN  44   4.304  -8.412  -7.525
  330    HB2  ASN  44           2HB      ASN  44   2.273  -8.135  -8.494
  331    HB3  ASN  44           1HB      ASN  44   2.030  -9.824  -8.051
  332   HD21  ASN  44          1HD2      ASN  44   0.237  -7.202  -8.082
  333   HD22  ASN  44          2HD2      ASN  44  -0.575  -7.310  -6.595
  334    H    LEU  45           H        LEU  45   3.765  -6.294  -6.737
  335    HA   LEU  45           HA       LEU  45   3.920  -6.126  -3.858
  336    HB2  LEU  45           2HB      LEU  45   3.542  -3.786  -5.714
  337    HB3  LEU  45           1HB      LEU  45   4.394  -3.845  -4.170
  338    HG   LEU  45           HG       LEU  45   5.259  -5.229  -6.727
  339   HD11  LEU  45          1HD1      LEU  45   6.198  -2.760  -5.260
  340   HD12  LEU  45          2HD1      LEU  45   5.739  -2.913  -6.956
  341   HD13  LEU  45          3HD1      LEU  45   7.245  -3.630  -6.381
  342   HD21  LEU  45          3HD2      LEU  45   5.961  -6.592  -4.898
  343   HD22  LEU  45          1HD2      LEU  45   6.372  -5.188  -3.913
  344   HD23  LEU  45          2HD2      LEU  45   7.365  -5.608  -5.310
  345    H    GLN  46           H        GLN  46   2.254  -5.975  -2.510
  346    HA   GLN  46           HA       GLN  46  -0.371  -5.161  -3.590
  347    HB2  GLN  46           2HB      GLN  46   0.330  -6.772  -1.122
  348    HB3  GLN  46           1HB      GLN  46  -1.306  -6.306  -1.592
  349    HG2  GLN  46           2HG      GLN  46   0.584  -7.940  -3.309
  350    HG3  GLN  46           1HG      GLN  46  -0.726  -8.611  -2.338
  351   HE21  GLN  46          1HE2      GLN  46  -0.652  -8.890  -5.205
  352   HE22  GLN  46          2HE2      GLN  46  -1.952  -8.007  -5.848
  353    H    CYS  47           H        CYS  47  -1.180  -3.258  -2.998
  354    HA   CYS  47           HA       CYS  47   0.229  -1.624  -1.060
  355    HB2  CYS  47           2HB      CYS  47  -2.122  -1.140  -2.890
  356    HB3  CYS  47           1HB      CYS  47  -1.578   0.056  -1.713
  357    H    ILE  48           H        ILE  48  -0.142  -2.091   1.032
  358    HA   ILE  48           HA       ILE  48  -2.884  -2.723   1.891
  359    HB   ILE  48           HB       ILE  48  -0.345  -2.877   3.523
  360   HG12  ILE  48          2HG1      ILE  48  -1.732  -4.990   1.843
  361   HG13  ILE  48          1HG1      ILE  48  -0.109  -4.347   1.589
  362   HG21  ILE  48          1HG2      ILE  48  -2.993  -4.310   3.849
  363   HG22  ILE  48          2HG2      ILE  48  -2.610  -2.796   4.667
  364   HG23  ILE  48          3HG2      ILE  48  -1.660  -4.243   5.001
  365   HD11  ILE  48          3HD1      ILE  48   0.295  -6.355   2.745
  366   HD12  ILE  48          1HD1      ILE  48  -1.100  -6.136   3.801
  367   HD13  ILE  48          2HD1      ILE  48   0.341  -5.143   4.025
  368    H    CYS  49           H        CYS  49  -3.956  -0.826   2.147
  369    HA   CYS  49           HA       CYS  49  -2.698   1.511   3.289
  370    HB2  CYS  49           2HB      CYS  49  -5.596   0.920   2.650
  371    HB3  CYS  49           1HB      CYS  49  -4.963   2.494   3.131
  372    H    ASP  50           H        ASP  50  -2.649   2.109   5.369
  373    HA   ASP  50           HA       ASP  50  -4.179   0.480   7.307
  374    HB2  ASP  50           2HB      ASP  50  -2.454   0.852   8.895
  375    HB3  ASP  50           1HB      ASP  50  -1.630   0.458   7.385
  376    H    TYR  51           H        TYR  51  -5.472   1.458   8.799
  377    HA   TYR  51           HA       TYR  51  -5.671   4.406   8.640
  378    HB2  TYR  51           2HB      TYR  51  -7.790   2.322   9.206
  379    HB3  TYR  51           1HB      TYR  51  -8.022   4.040   9.523
  380    HD1  TYR  51           1HD      TYR  51  -7.155   1.608   6.834
  381    HD2  TYR  51           2HD      TYR  51  -8.619   5.530   7.791
  382    HE1  TYR  51           1HE      TYR  51  -7.739   1.970   4.452
  383    HE2  TYR  51           2HE      TYR  51  -9.203   5.894   5.409
  384    HH   TYR  51           HH       TYR  51  -8.596   5.057   3.221
  385    H    CYS  52           H        CYS  52  -4.260   4.937  10.285
  386    HA   CYS  52           HA       CYS  52  -3.889   5.592  12.468
  387    HB2  CYS  52           2HB      CYS  52  -6.144   3.850  13.409
  388    HB3  CYS  52           1HB      CYS  52  -5.568   5.379  14.074
  389    H    GLU  53           H        GLU  53  -4.639   2.183  11.902
  390    HA   GLU  53           HA       GLU  53  -2.572   1.463  13.891
  391    HB2  GLU  53           2HB      GLU  53  -4.953  -0.131  12.914
  392    HB3  GLU  53           1HB      GLU  53  -3.723  -0.732  14.027
  393    HG2  GLU  53           2HG      GLU  53  -5.407   1.736  14.532
  394    HG3  GLU  53           1HG      GLU  53  -5.773   0.140  15.183
  395    H    TYR  54           H        TYR  54  -0.736   0.702  13.094
  396    HA   TYR  54           HA       TYR  54  -0.771  -1.011  10.721
  397    HB2  TYR  54           2HB      TYR  54   0.882   0.259   9.531
  398    HB3  TYR  54           1HB      TYR  54  -0.422   1.370   9.955
  399    HD1  TYR  54           2HD      TYR  54  -0.128   3.066  11.691
  400    HD2  TYR  54           1HD      TYR  54   3.049   0.366  10.661
  401    HE1  TYR  54           2HE      TYR  54   1.482   4.493  12.923
  402    HE2  TYR  54           1HE      TYR  54   4.661   1.794  11.892
  403    HH   TYR  54           HH       TYR  54   4.761   4.296  12.558
  Start of MODEL   10
    1    H1   ASP   2           H        ASP   2 -12.319  -6.179  11.178
    2    HA   ASP   2           HA       ASP   2 -12.422  -3.593   9.738
    3    HB2  ASP   2           2HB      ASP   2 -13.160  -4.256  12.595
    4    HB3  ASP   2           1HB      ASP   2 -13.043  -2.615  11.963
    5    H    LYS   3           H        LYS   3 -10.047  -4.954   9.695
    6    HA   LYS   3           HA       LYS   3  -8.369  -4.060  11.894
    7    HB2  LYS   3           2HB      LYS   3  -7.717  -5.484   9.302
    8    HB3  LYS   3           1HB      LYS   3  -6.546  -5.126  10.572
    9    HG2  LYS   3           2HG      LYS   3  -7.960  -6.412  12.181
   10    HG3  LYS   3           1HG      LYS   3  -9.026  -6.848  10.845
   11    HD2  LYS   3           2HD      LYS   3  -7.068  -7.871   9.674
   12    HD3  LYS   3           1HD      LYS   3  -6.084  -7.534  11.099
   13    HE2  LYS   3           2HE      LYS   3  -7.775  -8.859  12.450
   14    HE3  LYS   3           1HE      LYS   3  -8.494  -9.357  10.918
   15    HZ1  LYS   3           3HZ      LYS   3  -6.124 -10.296  12.190
   16    HZ2  LYS   3           1HZ      LYS   3  -5.808  -9.780  10.607
   17    HZ3  LYS   3           2HZ      LYS   3  -6.989 -10.967  10.892
   18    H    CYS   4           H        CYS   4  -6.684  -2.557  11.723
   19    HA   CYS   4           HA       CYS   4  -7.200  -0.216  10.297
   20    HB2  CYS   4           2HB      CYS   4  -4.425  -1.041  11.130
   21    HB3  CYS   4           1HB      CYS   4  -5.127   0.576  11.097
   22    H    LYS   5           H        LYS   5  -5.572  -3.126   9.331
   23    HA   LYS   5           HA       LYS   5  -4.400  -1.858   6.968
   24    HB2  LYS   5           2HB      LYS   5  -4.324  -4.752   7.847
   25    HB3  LYS   5           1HB      LYS   5  -3.367  -4.025   6.557
   26    HG2  LYS   5           2HG      LYS   5  -3.264  -3.115   9.445
   27    HG3  LYS   5           1HG      LYS   5  -2.128  -4.262   8.736
   28    HD2  LYS   5           2HD      LYS   5  -1.753  -2.449   6.922
   29    HD3  LYS   5           1HD      LYS   5  -2.512  -1.348   8.072
   30    HE2  LYS   5           2HE      LYS   5  -0.090  -1.295   8.384
   31    HE3  LYS   5           1HE      LYS   5  -0.844  -2.049   9.789
   32    HZ1  LYS   5           3HZ      LYS   5   0.281  -3.900   9.407
   33    HZ2  LYS   5           1HZ      LYS   5   1.109  -3.123   8.147
   34    HZ3  LYS   5           2HZ      LYS   5  -0.310  -3.997   7.817
   35    H    LYS   6           H        LYS   6  -5.248  -1.948   4.982
   36    HA   LYS   6           HA       LYS   6  -7.295  -3.967   4.373
   37    HB2  LYS   6           2HB      LYS   6  -7.629  -0.980   4.002
   38    HB3  LYS   6           1HB      LYS   6  -8.653  -2.185   3.223
   39    HG2  LYS   6           2HG      LYS   6  -9.081  -3.131   5.561
   40    HG3  LYS   6           1HG      LYS   6  -8.337  -1.658   6.184
   41    HD2  LYS   6           2HD      LYS   6 -10.608  -1.580   4.193
   42    HD3  LYS   6           1HD      LYS   6 -10.893  -1.633   5.933
   43    HE2  LYS   6           2HE      LYS   6  -9.305   0.472   4.435
   44    HE3  LYS   6           1HE      LYS   6 -10.884   0.693   5.191
   45    HZ1  LYS   6           3HZ      LYS   6  -8.277   0.209   6.498
   46    HZ2  LYS   6           1HZ      LYS   6  -9.743  -0.048   7.313
   47    HZ3  LYS   6           2HZ      LYS   6  -9.353   1.502   6.735
   48    H    VAL   7           H        VAL   7  -7.012  -4.836   2.408
   49    HA   VAL   7           HA       VAL   7  -4.767  -3.957   0.812
   50    HB   VAL   7           HB       VAL   7  -6.743  -6.158   0.198
   51   HG11  VAL   7          1HG1      VAL   7  -4.900  -7.063  -1.120
   52   HG12  VAL   7          2HG1      VAL   7  -3.840  -5.758  -0.587
   53   HG13  VAL   7          3HG1      VAL   7  -5.217  -5.405  -1.633
   54   HG21  VAL   7          3HG2      VAL   7  -4.912  -7.598   1.267
   55   HG22  VAL   7          1HG2      VAL   7  -5.898  -6.649   2.380
   56   HG23  VAL   7          2HG2      VAL   7  -4.277  -6.103   1.952
   57    H    TYR   8           H        TYR   8  -4.790  -2.896  -1.080
   58    HA   TYR   8           HA       TYR   8  -7.416  -2.299  -2.301
   59    HB2  TYR   8           2HB      TYR   8  -5.153  -0.468  -1.594
   60    HB3  TYR   8           1HB      TYR   8  -6.145  -0.104  -3.008
   61    HD1  TYR   8           2HD      TYR   8  -8.527   0.421  -2.785
   62    HD2  TYR   8           1HD      TYR   8  -6.105  -0.436   0.657
   63    HE1  TYR   8           2HE      TYR   8 -10.304   1.322  -1.310
   64    HE2  TYR   8           1HE      TYR   8  -7.882   0.464   2.133
   65    HH   TYR   8           HH       TYR   8  -9.829   2.189   1.821
   66    H    GLU   9           H        GLU   9  -6.921  -4.157  -3.667
   67    HA   GLU   9           HA       GLU   9  -4.676  -4.318  -5.357
   68    HB2  GLU   9           2HB      GLU   9  -7.494  -5.313  -5.842
   69    HB3  GLU   9           1HB      GLU   9  -6.053  -5.832  -6.721
   70    HG2  GLU   9           2HG      GLU   9  -6.293  -7.492  -5.073
   71    HG3  GLU   9           1HG      GLU   9  -5.098  -6.402  -4.373
   72    H    ASN  10           H        ASN  10  -4.946  -4.212  -7.830
   73    HA   ASN  10           HA       ASN  10  -5.369  -2.991  -9.743
   74    HB2  ASN  10           2HB      ASN  10  -7.301  -1.230  -8.275
   75    HB3  ASN  10           1HB      ASN  10  -7.337  -1.768  -9.953
   76   HD21  ASN  10          1HD2      ASN  10  -9.680  -2.125  -8.540
   77   HD22  ASN  10          2HD2      ASN  10  -9.897  -3.762  -8.149
   78    H    TYR  11           H        TYR  11  -4.174  -1.888  -6.844
   79    HA   TYR  11           HA       TYR  11  -3.209   0.580  -8.150
   80    HB2  TYR  11           2HB      TYR  11  -4.171   0.129  -5.350
   81    HB3  TYR  11           1HB      TYR  11  -2.973   1.385  -5.674
   82    HD1  TYR  11           1HD      TYR  11  -6.358   0.159  -6.640
   83    HD2  TYR  11           2HD      TYR  11  -3.591   3.445  -6.694
   84    HE1  TYR  11           1HE      TYR  11  -8.152   1.656  -7.473
   85    HE2  TYR  11           2HE      TYR  11  -5.385   4.941  -7.526
   86    HH   TYR  11           HH       TYR  11  -8.654   4.107  -7.460
   87    HA   PRO  12           HA       PRO  12   0.388  -1.757  -6.027
   88    HB2  PRO  12           2HB      PRO  12   0.626  -4.256  -7.041
   89    HB3  PRO  12           1HB      PRO  12  -0.418  -3.927  -5.647
   90    HG2  PRO  12           2HG      PRO  12  -1.155  -4.416  -8.491
   91    HG3  PRO  12           1HG      PRO  12  -2.001  -4.880  -7.005
   92    HD2  PRO  12           2HD      PRO  12  -2.640  -2.659  -8.600
   93    HD3  PRO  12           1HD      PRO  12  -3.165  -2.900  -6.917
   94    H    VAL  13           H        VAL  13   2.076  -0.787  -7.086
   95    HA   VAL  13           HA       VAL  13   2.503  -1.451  -9.934
   96    HB   VAL  13           HB       VAL  13   2.821   1.326  -8.798
   97   HG11  VAL  13          1HG1      VAL  13   2.717   0.214 -11.616
   98   HG12  VAL  13          2HG1      VAL  13   4.143   0.855 -10.799
   99   HG13  VAL  13          3HG1      VAL  13   2.805   1.927 -11.214
  100   HG21  VAL  13          3HG2      VAL  13   0.482   0.892  -8.649
  101   HG22  VAL  13          1HG2      VAL  13   0.473   0.016 -10.180
  102   HG23  VAL  13          2HG2      VAL  13   0.701   1.766 -10.166
  103    H    SER  14           H        SER  14   4.661  -1.270 -10.673
  104    HA   SER  14           HA       SER  14   6.675  -2.136  -8.971
  105    HB2  SER  14           2HB      SER  14   6.773  -2.152 -11.477
  106    HB3  SER  14           1HB      SER  14   7.063  -0.416 -11.434
  107    HG   SER  14           HG       SER  14   8.731  -1.517  -9.724
  108    H    LYS  15           H        LYS  15   5.534   1.092  -9.694
  109    HA   LYS  15           HA       LYS  15   7.632   2.603  -8.579
  110    HB2  LYS  15           2HB      LYS  15   4.671   3.164  -8.829
  111    HB3  LYS  15           1HB      LYS  15   5.836   4.354  -8.251
  112    HG2  LYS  15           2HG      LYS  15   7.088   4.184 -10.355
  113    HG3  LYS  15           1HG      LYS  15   5.970   2.948 -10.935
  114    HD2  LYS  15           2HD      LYS  15   5.346   5.117 -11.875
  115    HD3  LYS  15           1HD      LYS  15   4.104   4.588 -10.740
  116    HE2  LYS  15           2HE      LYS  15   4.709   6.158  -9.132
  117    HE3  LYS  15           1HE      LYS  15   6.362   6.286  -9.733
  118    HZ1  LYS  15           3HZ      LYS  15   4.185   7.105 -11.508
  119    HZ2  LYS  15           1HZ      LYS  15   5.760   7.719 -11.373
  120    HZ3  LYS  15           2HZ      LYS  15   4.586   8.135 -10.218
  121    H    CYS  16           H        CYS  16   5.029   0.786  -7.147
  122    HA   CYS  16           HA       CYS  16   5.030   1.985  -4.580
  123    HB2  CYS  16           2HB      CYS  16   4.347  -0.872  -5.321
  124    HB3  CYS  16           1HB      CYS  16   3.868  -0.031  -3.847
  125    H    GLN  17           H        GLN  17   7.156  -0.261  -6.147
  126    HA   GLN  17           HA       GLN  17   8.358  -1.659  -4.126
  127    HB2  GLN  17           2HB      GLN  17  10.345  -1.719  -5.454
  128    HB3  GLN  17           1HB      GLN  17   8.997  -1.633  -6.589
  129    HG2  GLN  17           2HG      GLN  17   9.336   0.938  -6.458
  130    HG3  GLN  17           1HG      GLN  17  10.916   0.544  -5.781
  131   HE21  GLN  17          1HE2      GLN  17   9.511   1.314  -8.665
  132   HE22  GLN  17          2HE2      GLN  17  10.534   0.467  -9.722
  133    H    LEU  18           H        LEU  18   8.152   1.724  -4.457
  134    HA   LEU  18           HA       LEU  18  10.315   2.174  -2.504
  135    HB2  LEU  18           2HB      LEU  18   8.892   3.962  -4.463
  136    HB3  LEU  18           1HB      LEU  18   9.779   4.638  -3.099
  137    HG   LEU  18           HG       LEU  18  11.122   2.575  -4.808
  138   HD11  LEU  18          1HD1      LEU  18  11.990   4.529  -6.198
  139   HD12  LEU  18          2HD1      LEU  18  10.673   5.484  -5.518
  140   HD13  LEU  18          3HD1      LEU  18  10.315   4.066  -6.503
  141   HD21  LEU  18          3HD2      LEU  18  12.048   5.055  -3.321
  142   HD22  LEU  18          1HD2      LEU  18  13.104   3.926  -4.171
  143   HD23  LEU  18          2HD2      LEU  18  12.204   3.393  -2.752
  144    H    ALA  19           H        ALA  19   9.515   1.870  -0.495
  145    HA   ALA  19           HA       ALA  19   6.957   2.045   0.441
  146    HB1  ALA  19           1HB      ALA  19   8.944   1.336   1.778
  147    HB2  ALA  19           2HB      ALA  19   7.876   2.437   2.649
  148    HB3  ALA  19           3HB      ALA  19   9.382   3.036   1.956
  149    H    ASN  20           H        ASN  20   8.850   4.607  -0.769
  150    HA   ASN  20           HA       ASN  20   7.508   6.730   0.667
  151    HB2  ASN  20           2HB      ASN  20   9.322   6.755  -1.757
  152    HB3  ASN  20           1HB      ASN  20   8.705   8.202  -0.961
  153   HD21  ASN  20          1HD2      ASN  20  11.531   6.829  -1.167
  154   HD22  ASN  20          2HD2      ASN  20  12.074   6.861   0.442
  155    H    GLN  21           H        GLN  21   7.442   5.401  -2.628
  156    HA   GLN  21           HA       GLN  21   5.441   7.099  -3.664
  157    HB2  GLN  21           2HB      GLN  21   6.284   4.286  -4.391
  158    HB3  GLN  21           1HB      GLN  21   5.093   5.206  -5.311
  159    HG2  GLN  21           2HG      GLN  21   7.875   6.234  -4.712
  160    HG3  GLN  21           1HG      GLN  21   7.466   5.363  -6.187
  161   HE21  GLN  21          1HE2      GLN  21   8.339   7.892  -6.654
  162   HE22  GLN  21          2HE2      GLN  21   7.052   8.941  -7.011
  163    H    CYS  22           H        CYS  22   5.293   4.005  -1.970
  164    HA   CYS  22           HA       CYS  22   2.640   3.317  -2.326
  165    HB2  CYS  22           2HB      CYS  22   4.165   2.998   0.263
  166    HB3  CYS  22           1HB      CYS  22   2.836   1.999  -0.328
  167    H    ASN  23           H        ASN  23   3.916   5.109   0.496
  168    HA   ASN  23           HA       ASN  23   1.334   5.683   1.527
  169    HB2  ASN  23           2HB      ASN  23   2.438   6.946   3.189
  170    HB3  ASN  23           1HB      ASN  23   3.541   5.629   2.794
  171   HD21  ASN  23          1HD2      ASN  23   3.878   8.644   3.683
  172   HD22  ASN  23          2HD2      ASN  23   5.084   9.199   2.627
  173    H    TYR  24           H        TYR  24   3.629   7.634  -0.369
  174    HA   TYR  24           HA       TYR  24   2.127  10.029  -0.316
  175    HB2  TYR  24           2HB      TYR  24   4.379   8.944  -1.903
  176    HB3  TYR  24           1HB      TYR  24   3.448  10.240  -2.655
  177    HD1  TYR  24           2HD      TYR  24   3.345  12.471  -1.660
  178    HD2  TYR  24           1HD      TYR  24   5.628   9.323   0.167
  179    HE1  TYR  24           2HE      TYR  24   4.485  14.134  -0.216
  180    HE2  TYR  24           1HE      TYR  24   6.768  10.988   1.609
  181    HH   TYR  24           HH       TYR  24   7.265  13.360   1.639
  182    H    ASP  25           H        ASP  25   2.348   7.487  -2.808
  183    HA   ASP  25           HA       ASP  25   0.408   8.606  -4.536
  184    HB2  ASP  25           2HB      ASP  25   1.274   5.727  -4.217
  185    HB3  ASP  25           1HB      ASP  25   0.363   6.372  -5.581
  186    H    CYS  26           H        CYS  26   0.147   6.051  -2.059
  187    HA   CYS  26           HA       CYS  26  -2.579   5.482  -2.431
  188    HB2  CYS  26           2HB      CYS  26  -0.831   5.299   0.031
  189    HB3  CYS  26           1HB      CYS  26  -2.475   4.666  -0.047
  190    H    LYS  27           H        LYS  27  -0.969   7.839  -0.312
  191    HA   LYS  27           HA       LYS  27  -3.188   8.841   1.038
  192    HB2  LYS  27           2HB      LYS  27  -0.579  10.043   0.166
  193    HB3  LYS  27           1HB      LYS  27  -1.807  11.062   0.917
  194    HG2  LYS  27           2HG      LYS  27  -1.776   9.813   2.929
  195    HG3  LYS  27           1HG      LYS  27  -0.945   8.455   2.170
  196    HD2  LYS  27           2HD      LYS  27   0.640   9.713   3.542
  197    HD3  LYS  27           1HD      LYS  27   1.055   9.904   1.838
  198    HE2  LYS  27           2HE      LYS  27  -0.747  11.885   3.220
  199    HE3  LYS  27           1HE      LYS  27   1.007  12.033   3.318
  200    HZ1  LYS  27           3HZ      LYS  27   0.438  11.547   0.667
  201    HZ2  LYS  27           1HZ      LYS  27   0.931  13.018   1.351
  202    HZ3  LYS  27           2HZ      LYS  27  -0.724  12.681   1.169
  203    H    LEU  28           H        LEU  28  -1.875   9.719  -2.129
  204    HA   LEU  28           HA       LEU  28  -3.798  11.757  -2.687
  205    HB2  LEU  28           2HB      LEU  28  -2.011  10.145  -4.527
  206    HB3  LEU  28           1HB      LEU  28  -2.949  11.556  -5.012
  207    HG   LEU  28           HG       LEU  28  -0.901  11.594  -2.780
  208   HD11  LEU  28          1HD1      LEU  28   0.281  11.158  -4.840
  209   HD12  LEU  28          2HD1      LEU  28   0.476  12.871  -4.472
  210   HD13  LEU  28          3HD1      LEU  28  -0.677  12.360  -5.704
  211   HD21  LEU  28          3HD2      LEU  28  -2.300  13.422  -2.408
  212   HD22  LEU  28          1HD2      LEU  28  -2.680  13.608  -4.121
  213   HD23  LEU  28          2HD2      LEU  28  -1.114  14.130  -3.504
  214    H    ASP  29           H        ASP  29  -3.617   8.293  -3.308
  215    HA   ASP  29           HA       ASP  29  -6.063   8.392  -4.915
  216    HB2  ASP  29           2HB      ASP  29  -4.109   6.174  -4.308
  217    HB3  ASP  29           1HB      ASP  29  -5.565   5.964  -5.280
  218    H    LYS  30           H        LYS  30  -4.901   6.279  -2.258
  219    HA   LYS  30           HA       LYS  30  -7.706   5.737  -1.602
  220    HB2  LYS  30           2HB      LYS  30  -5.247   4.372  -0.507
  221    HB3  LYS  30           1HB      LYS  30  -6.913   3.788  -0.474
  222    HG2  LYS  30           2HG      LYS  30  -5.230   4.242  -2.957
  223    HG3  LYS  30           1HG      LYS  30  -5.687   2.678  -2.282
  224    HD2  LYS  30           2HD      LYS  30  -8.124   3.477  -2.539
  225    HD3  LYS  30           1HD      LYS  30  -7.468   4.746  -3.574
  226    HE2  LYS  30           2HE      LYS  30  -6.421   3.037  -5.012
  227    HE3  LYS  30           1HE      LYS  30  -7.075   1.767  -3.980
  228    HZ1  LYS  30           3HZ      LYS  30  -8.379   3.332  -6.006
  229    HZ2  LYS  30           1HZ      LYS  30  -9.248   3.274  -4.551
  230    HZ3  LYS  30           2HZ      LYS  30  -8.819   1.832  -5.342
  231    H    HIS  31           H        HIS  31  -5.579   7.997  -0.622
  232    HA   HIS  31           HA       HIS  31  -5.412   9.323   1.254
  233    HB2  HIS  31           2HB      HIS  31  -7.999   8.035   2.129
  234    HB3  HIS  31           1HB      HIS  31  -7.401   9.647   2.520
  235    HD2  HIS  31           2HD      HIS  31  -9.363   7.856  -0.322
  236    HE1  HIS  31           1HE      HIS  31  -8.702  11.836  -1.569
  237    HE2  HIS  31           2HE      HIS  31  -9.940   9.683  -2.097
  238    H    ALA  32           H        ALA  32  -4.298   6.565   1.310
  239    HA   ALA  32           HA       ALA  32  -4.690   5.424   3.882
  240    HB1  ALA  32           1HB      ALA  32  -2.197   5.231   2.178
  241    HB2  ALA  32           2HB      ALA  32  -3.646   4.267   1.898
  242    HB3  ALA  32           3HB      ALA  32  -2.748   4.088   3.405
  243    H    ARG  33           H        ARG  33  -3.260   5.490   5.714
  244    HA   ARG  33           HA       ARG  33  -2.276   8.163   6.218
  245    HB2  ARG  33           2HB      ARG  33  -2.099   5.717   7.987
  246    HB3  ARG  33           1HB      ARG  33  -1.900   7.400   8.480
  247    HG2  ARG  33           2HG      ARG  33  -4.434   6.401   7.169
  248    HG3  ARG  33           1HG      ARG  33  -4.203   6.366   8.917
  249    HD2  ARG  33           2HD      ARG  33  -3.631   8.844   8.761
  250    HD3  ARG  33           1HD      ARG  33  -4.221   8.784   7.102
  251    HE   ARG  33           HE       ARG  33  -5.826   8.828   9.474
  252   HH11  ARG  33          1HH2      ARG  33  -5.580   7.585   6.253
  253   HH12  ARG  33          2HH2      ARG  33  -7.292   7.438   6.030
  254   HH21  ARG  33          1HH1      ARG  33  -8.074   8.637   9.188
  255   HH22  ARG  33          2HH1      ARG  33  -8.703   8.034   7.692
  256    H    SER  34           H        SER  34  -0.843   4.913   6.002
  257    HA   SER  34           HA       SER  34   1.797   6.207   5.682
  258    HB2  SER  34           2HB      SER  34   0.939   4.510   7.784
  259    HB3  SER  34           1HB      SER  34   2.087   3.599   6.807
  260    HG   SER  34           HG       SER  34   3.525   5.359   7.007
  261    H    GLY  35           H        GLY  35  -0.507   4.257   4.270
  262    HA2  GLY  35           2HA      GLY  35  -0.449   2.588   2.651
  263    HA3  GLY  35           1HA      GLY  35   0.705   3.700   1.923
  264    H    GLU  36           H        GLU  36   0.264   0.632   3.331
  265    HA   GLU  36           HA       GLU  36   3.188   0.204   3.485
  266    HB2  GLU  36           2HB      GLU  36   0.943  -1.316   4.836
  267    HB3  GLU  36           1HB      GLU  36   2.655  -1.727   4.947
  268    HG2  GLU  36           2HG      GLU  36   1.476   0.941   5.776
  269    HG3  GLU  36           1HG      GLU  36   1.845  -0.373   6.891
  270    H    CYS  37           H        CYS  37   4.036  -0.946   1.885
  271    HA   CYS  37           HA       CYS  37   2.255  -2.660   0.273
  272    HB2  CYS  37           2HB      CYS  37   4.788  -1.165  -0.345
  273    HB3  CYS  37           1HB      CYS  37   4.238  -2.491  -1.369
  274    H    PHE  38           H        PHE  38   2.677  -4.786  -0.033
  275    HA   PHE  38           HA       PHE  38   5.143  -5.895   1.157
  276    HB2  PHE  38           2HB      PHE  38   2.366  -7.080   1.403
  277    HB3  PHE  38           1HB      PHE  38   3.856  -7.791   2.022
  278    HD1  PHE  38           1HD      PHE  38   1.526  -4.922   2.344
  279    HD2  PHE  38           2HD      PHE  38   4.877  -7.003   4.043
  280    HE1  PHE  38           1HE      PHE  38   1.309  -3.579   4.418
  281    HE2  PHE  38           2HE      PHE  38   4.661  -5.660   6.117
  282    HZ   PHE  38           HZ       PHE  38   2.877  -3.948   6.303
  283    H    TYR  39           H        TYR  39   5.624  -8.106   0.344
  284    HA   TYR  39           HA       TYR  39   5.126  -8.211  -2.536
  285    HB2  TYR  39           2HB      TYR  39   6.969  -9.854  -0.781
  286    HB3  TYR  39           1HB      TYR  39   6.896  -9.929  -2.541
  287    HD1  TYR  39           1HD      TYR  39   7.592  -7.658   0.330
  288    HD2  TYR  39           2HD      TYR  39   8.022  -8.331  -3.890
  289    HE1  TYR  39           1HE      TYR  39   9.145  -5.732   0.182
  290    HE2  TYR  39           2HE      TYR  39   9.576  -6.403  -4.038
  291    HH   TYR  39           HH       TYR  39  10.555  -4.746  -2.943
  292    H    ASP  40           H        ASP  40   3.875  -9.696  -3.517
  293    HA   ASP  40           HA       ASP  40   2.528 -11.678  -1.798
  294    HB2  ASP  40           2HB      ASP  40   0.794 -11.735  -3.529
  295    HB3  ASP  40           1HB      ASP  40   1.060 -10.084  -2.971
  296    H    GLU  41           H        GLU  41   1.698 -13.582  -3.380
  297    HA   GLU  41           HA       GLU  41   4.013 -15.107  -3.981
  298    HB2  GLU  41           2HB      GLU  41   1.120 -15.555  -4.750
  299    HB3  GLU  41           1HB      GLU  41   2.406 -16.752  -4.906
  300    HG2  GLU  41           2HG      GLU  41   1.622 -15.421  -2.299
  301    HG3  GLU  41           1HG      GLU  41   1.070 -17.016  -2.806
  302    H    LYS  42           H        LYS  42   1.917 -13.059  -5.890
  303    HA   LYS  42           HA       LYS  42   2.945 -13.978  -8.433
  304    HB2  LYS  42           2HB      LYS  42   1.335 -11.493  -7.800
  305    HB3  LYS  42           1HB      LYS  42   1.572 -12.219  -9.391
  306    HG2  LYS  42           2HG      LYS  42   0.349 -14.196  -8.755
  307    HG3  LYS  42           1HG      LYS  42   0.287 -13.678  -7.069
  308    HD2  LYS  42           2HD      LYS  42  -1.856 -13.230  -8.208
  309    HD3  LYS  42           1HD      LYS  42  -1.077 -11.727  -7.715
  310    HE2  LYS  42           2HE      LYS  42  -0.536 -12.833 -10.453
  311    HE3  LYS  42           1HE      LYS  42  -2.038 -11.957 -10.156
  312    HZ1  LYS  42           3HZ      LYS  42   0.069 -10.532  -8.986
  313    HZ2  LYS  42           1HZ      LYS  42  -0.925 -10.066 -10.280
  314    HZ3  LYS  42           2HZ      LYS  42   0.519 -10.910 -10.579
  315    H    ARG  43           H        ARG  43   4.541 -12.532  -6.122
  316    HA   ARG  43           HA       ARG  43   6.393 -11.182  -6.004
  317    HB2  ARG  43           2HB      ARG  43   6.402 -11.314  -9.027
  318    HB3  ARG  43           1HB      ARG  43   7.770 -10.976  -7.966
  319    HG2  ARG  43           2HG      ARG  43   7.811 -13.205  -7.133
  320    HG3  ARG  43           1HG      ARG  43   6.216 -13.562  -7.794
  321    HD2  ARG  43           2HD      ARG  43   8.733 -13.022  -9.393
  322    HD3  ARG  43           1HD      ARG  43   7.943 -14.583  -9.196
  323    HE   ARG  43           HE       ARG  43   6.140 -12.639 -10.267
  324   HH11  ARG  43          1HH2      ARG  43   8.810 -14.710 -11.013
  325   HH12  ARG  43          2HH2      ARG  43   8.399 -14.870 -12.688
  326   HH21  ARG  43          1HH1      ARG  43   5.594 -12.842 -12.464
  327   HH22  ARG  43          2HH1      ARG  43   6.578 -13.812 -13.509
  328    H    ASN  44           H        ASN  44   3.527 -10.191  -6.802
  329    HA   ASN  44           HA       ASN  44   4.207  -7.545  -7.857
  330    HB2  ASN  44           2HB      ASN  44   1.956  -9.216  -8.075
  331    HB3  ASN  44           1HB      ASN  44   1.440  -7.862  -7.071
  332   HD21  ASN  44          1HD2      ASN  44   0.280  -6.604  -8.590
  333   HD22  ASN  44          2HD2      ASN  44   0.955  -6.008 -10.028
  334    H    LEU  45           H        LEU  45   3.866  -5.634  -6.719
  335    HA   LEU  45           HA       LEU  45   4.060  -5.877  -3.832
  336    HB2  LEU  45           2HB      LEU  45   3.954  -3.339  -5.470
  337    HB3  LEU  45           1HB      LEU  45   4.604  -3.549  -3.842
  338    HG   LEU  45           HG       LEU  45   5.702  -4.933  -6.307
  339   HD11  LEU  45          1HD1      LEU  45   7.671  -3.289  -5.660
  340   HD12  LEU  45          2HD1      LEU  45   6.362  -2.336  -4.961
  341   HD13  LEU  45          3HD1      LEU  45   6.345  -2.731  -6.680
  342   HD21  LEU  45          3HD2      LEU  45   6.487  -4.807  -3.394
  343   HD22  LEU  45          1HD2      LEU  45   7.672  -5.194  -4.641
  344   HD23  LEU  45          2HD2      LEU  45   6.265  -6.231  -4.408
  345    H    GLN  46           H        GLN  46   2.189  -6.270  -2.801
  346    HA   GLN  46           HA       GLN  46  -0.329  -5.206  -3.744
  347    HB2  GLN  46           2HB      GLN  46   0.464  -6.858  -1.342
  348    HB3  GLN  46           1HB      GLN  46  -1.188  -6.298  -1.611
  349    HG2  GLN  46           2HG      GLN  46   0.388  -7.869  -3.665
  350    HG3  GLN  46           1HG      GLN  46  -0.702  -8.620  -2.499
  351   HE21  GLN  46          1HE2      GLN  46  -0.716  -7.876  -5.637
  352   HE22  GLN  46          2HE2      GLN  46  -2.322  -7.364  -5.845
  353    H    CYS  47           H        CYS  47  -1.055  -3.239  -3.292
  354    HA   CYS  47           HA       CYS  47   0.208  -1.607  -1.263
  355    HB2  CYS  47           2HB      CYS  47  -2.054  -1.101  -3.203
  356    HB3  CYS  47           1HB      CYS  47  -1.470   0.103  -2.055
  357    H    ILE  48           H        ILE  48  -0.307  -2.074   0.800
  358    HA   ILE  48           HA       ILE  48  -3.137  -2.574   1.466
  359    HB   ILE  48           HB       ILE  48  -0.711  -3.033   3.214
  360   HG12  ILE  48          2HG1      ILE  48  -2.214  -4.930   1.380
  361   HG13  ILE  48          1HG1      ILE  48  -0.524  -4.444   1.231
  362   HG21  ILE  48          1HG2      ILE  48  -3.506  -4.196   3.357
  363   HG22  ILE  48          2HG2      ILE  48  -2.999  -2.775   4.271
  364   HG23  ILE  48          3HG2      ILE  48  -2.227  -4.334   4.563
  365   HD11  ILE  48          3HD1      ILE  48  -0.327  -6.496   2.326
  366   HD12  ILE  48          1HD1      ILE  48  -1.799  -6.248   3.267
  367   HD13  ILE  48          2HD1      ILE  48  -0.329  -5.367   3.682
  368    H    CYS  49           H        CYS  49  -4.078  -0.628   1.799
  369    HA   CYS  49           HA       CYS  49  -2.733   1.609   2.970
  370    HB2  CYS  49           2HB      CYS  49  -5.690   1.100   2.588
  371    HB3  CYS  49           1HB      CYS  49  -4.957   2.654   2.979
  372    H    ASP  50           H        ASP  50  -2.364   2.004   5.052
  373    HA   ASP  50           HA       ASP  50  -3.785   0.392   7.069
  374    HB2  ASP  50           2HB      ASP  50  -1.947   0.859   8.548
  375    HB3  ASP  50           1HB      ASP  50  -1.274   0.350   6.999
  376    H    TYR  51           H        TYR  51  -4.782   1.336   8.847
  377    HA   TYR  51           HA       TYR  51  -5.243   4.249   8.619
  378    HB2  TYR  51           2HB      TYR  51  -6.994   2.038   9.706
  379    HB3  TYR  51           1HB      TYR  51  -7.296   3.739  10.045
  380    HD1  TYR  51           1HD      TYR  51  -6.366   1.663   7.058
  381    HD2  TYR  51           2HD      TYR  51  -8.869   4.755   8.675
  382    HE1  TYR  51           1HE      TYR  51  -7.495   1.896   4.863
  383    HE2  TYR  51           2HE      TYR  51  -9.999   4.991   6.480
  384    HH   TYR  51           HH       TYR  51  -9.185   2.846   3.761
  385    H    CYS  52           H        CYS  52  -3.583   5.016   9.889
  386    HA   CYS  52           HA       CYS  52  -2.753   5.791  11.900
  387    HB2  CYS  52           2HB      CYS  52  -4.555   3.918  13.401
  388    HB3  CYS  52           1HB      CYS  52  -3.970   5.516  13.870
  389    H    GLU  53           H        GLU  53  -3.603   2.362  12.479
  390    HA   GLU  53           HA       GLU  53  -1.040   1.874  13.715
  391    HB2  GLU  53           2HB      GLU  53  -3.256  -0.044  12.960
  392    HB3  GLU  53           1HB      GLU  53  -1.861  -0.432  13.969
  393    HG2  GLU  53           2HG      GLU  53  -3.879   1.742  14.598
  394    HG3  GLU  53           1HG      GLU  53  -3.904   0.126  15.301
  395    H    TYR  54           H        TYR  54   0.768   1.355  12.690
  396    HA   TYR  54           HA       TYR  54   0.729  -0.406  10.384
  397    HB2  TYR  54           2HB      TYR  54   1.749   1.074   8.829
  398    HB3  TYR  54           1HB      TYR  54   0.386   1.965   9.506
  399    HD1  TYR  54           1HD      TYR  54   4.063   1.587   9.527
  400    HD2  TYR  54           2HD      TYR  54   0.720   3.859  10.978
  401    HE1  TYR  54           1HE      TYR  54   5.609   3.359  10.312
  402    HE2  TYR  54           2HE      TYR  54   2.266   5.632  11.765
  403    HH   TYR  54           HH       TYR  54   5.555   5.742  10.842
  Start of MODEL   11
    1    H1   ASP   2           H        ASP   2  -6.940  -4.974  12.674
    2    HA   ASP   2           HA       ASP   2  -5.815  -5.536  10.486
    3    HB2  ASP   2           2HB      ASP   2  -8.055  -7.567  10.523
    4    HB3  ASP   2           1HB      ASP   2  -7.094  -7.186   9.096
    5    H    LYS   3           H        LYS   3  -8.753  -4.576  11.817
    6    HA   LYS   3           HA       LYS   3 -10.269  -3.814   9.583
    7    HB2  LYS   3           2HB      LYS   3 -10.067  -2.533  12.319
    8    HB3  LYS   3           1HB      LYS   3 -11.313  -2.162  11.128
    9    HG2  LYS   3           2HG      LYS   3 -11.966  -4.572  11.116
   10    HG3  LYS   3           1HG      LYS   3 -10.788  -4.865  12.397
   11    HD2  LYS   3           2HD      LYS   3 -11.968  -3.171  13.808
   12    HD3  LYS   3           1HD      LYS   3 -13.195  -3.028  12.549
   13    HE2  LYS   3           2HE      LYS   3 -13.692  -5.441  12.764
   14    HE3  LYS   3           1HE      LYS   3 -12.483  -5.570  14.041
   15    HZ1  LYS   3           3HZ      LYS   3 -13.861  -3.642  15.077
   16    HZ2  LYS   3           1HZ      LYS   3 -14.380  -5.247  15.249
   17    HZ3  LYS   3           2HZ      LYS   3 -15.101  -4.242  14.084
   18    H    CYS   4           H        CYS   4  -7.656  -2.153  11.298
   19    HA   CYS   4           HA       CYS   4  -7.858   0.306   9.893
   20    HB2  CYS   4           2HB      CYS   4  -5.313  -0.816  11.055
   21    HB3  CYS   4           1HB      CYS   4  -5.793   0.874  10.903
   22    H    LYS   5           H        LYS   5  -6.383  -2.764   9.161
   23    HA   LYS   5           HA       LYS   5  -4.845  -1.669   6.935
   24    HB2  LYS   5           2HB      LYS   5  -5.197  -4.548   7.795
   25    HB3  LYS   5           1HB      LYS   5  -4.005  -3.931   6.652
   26    HG2  LYS   5           2HG      LYS   5  -4.185  -3.023   9.536
   27    HG3  LYS   5           1HG      LYS   5  -3.108  -4.304   8.981
   28    HD2  LYS   5           2HD      LYS   5  -2.271  -2.571   7.247
   29    HD3  LYS   5           1HD      LYS   5  -3.053  -1.372   8.278
   30    HE2  LYS   5           2HE      LYS   5  -1.730  -2.172  10.207
   31    HE3  LYS   5           1HE      LYS   5  -0.937  -3.356   9.167
   32    HZ1  LYS   5           3HZ      LYS   5  -0.839  -0.404   8.860
   33    HZ2  LYS   5           1HZ      LYS   5  -0.131  -1.515   7.793
   34    HZ3  LYS   5           2HZ      LYS   5   0.429  -1.401   9.394
   35    H    LYS   6           H        LYS   6  -5.481  -1.662   4.872
   36    HA   LYS   6           HA       LYS   6  -7.614  -3.482   4.002
   37    HB2  LYS   6           2HB      LYS   6  -7.672  -0.470   3.673
   38    HB3  LYS   6           1HB      LYS   6  -8.702  -1.577   2.765
   39    HG2  LYS   6           2HG      LYS   6  -9.461  -2.517   5.010
   40    HG3  LYS   6           1HG      LYS   6  -8.648  -1.143   5.759
   41    HD2  LYS   6           2HD      LYS   6 -10.747  -0.861   3.593
   42    HD3  LYS   6           1HD      LYS   6 -11.110  -0.781   5.317
   43    HE2  LYS   6           2HE      LYS   6  -9.320   1.041   5.462
   44    HE3  LYS   6           1HE      LYS   6  -9.365   1.083   3.699
   45    HZ1  LYS   6           3HZ      LYS   6 -11.194   2.300   3.784
   46    HZ2  LYS   6           1HZ      LYS   6 -11.093   2.340   5.477
   47    HZ3  LYS   6           2HZ      LYS   6 -11.993   1.120   4.709
   48    H    VAL   7           H        VAL   7  -7.152  -4.361   2.083
   49    HA   VAL   7           HA       VAL   7  -4.763  -3.425   0.680
   50    HB   VAL   7           HB       VAL   7  -4.887  -5.798   1.198
   51   HG11  VAL   7          1HG1      VAL   7  -7.375  -5.936   1.244
   52   HG12  VAL   7          2HG1      VAL   7  -6.653  -7.207   0.260
   53   HG13  VAL   7          3HG1      VAL   7  -7.392  -5.806  -0.515
   54   HG21  VAL   7          3HG2      VAL   7  -3.917  -4.938  -1.011
   55   HG22  VAL   7          1HG2      VAL   7  -5.419  -5.473  -1.764
   56   HG23  VAL   7          2HG2      VAL   7  -4.361  -6.645  -0.976
   57    H    TYR   8           H        TYR   8  -4.721  -2.638  -1.357
   58    HA   TYR   8           HA       TYR   8  -7.320  -2.323  -2.739
   59    HB2  TYR   8           2HB      TYR   8  -5.042  -0.389  -2.376
   60    HB3  TYR   8           1HB      TYR   8  -6.155  -0.235  -3.736
   61    HD1  TYR   8           2HD      TYR   8  -8.524   0.287  -3.381
   62    HD2  TYR   8           1HD      TYR   8  -5.798  -0.053  -0.079
   63    HE1  TYR   8           2HE      TYR   8 -10.191   1.365  -1.894
   64    HE2  TYR   8           1HE      TYR   8  -7.465   1.024   1.408
   65    HH   TYR   8           HH       TYR   8 -10.265   1.180   1.220
   66    H    GLU   9           H        GLU   9  -7.009  -4.184  -3.999
   67    HA   GLU   9           HA       GLU   9  -4.656  -4.702  -5.508
   68    HB2  GLU   9           2HB      GLU   9  -7.505  -5.626  -5.949
   69    HB3  GLU   9           1HB      GLU   9  -6.084  -6.289  -6.758
   70    HG2  GLU   9           2HG      GLU   9  -6.356  -7.763  -4.962
   71    HG3  GLU   9           1HG      GLU   9  -5.171  -6.620  -4.332
   72    H    ASN  10           H        ASN  10  -4.810  -4.875  -7.980
   73    HA   ASN  10           HA       ASN  10  -5.106  -3.885 -10.045
   74    HB2  ASN  10           2HB      ASN  10  -7.025  -1.892  -8.887
   75    HB3  ASN  10           1HB      ASN  10  -7.013  -2.626 -10.488
   76   HD21  ASN  10          1HD2      ASN  10  -9.427  -2.736  -9.175
   77   HD22  ASN  10          2HD2      ASN  10  -9.726  -4.302  -8.595
   78    H    TYR  11           H        TYR  11  -3.963  -2.495  -7.260
   79    HA   TYR  11           HA       TYR  11  -3.052  -0.092  -8.709
   80    HB2  TYR  11           2HB      TYR  11  -3.714  -0.609  -5.854
   81    HB3  TYR  11           1HB      TYR  11  -2.429   0.551  -6.203
   82    HD1  TYR  11           1HD      TYR  11  -5.934  -0.329  -7.196
   83    HD2  TYR  11           2HD      TYR  11  -2.972   2.759  -6.797
   84    HE1  TYR  11           1HE      TYR  11  -7.633   1.379  -7.785
   85    HE2  TYR  11           2HE      TYR  11  -4.673   4.465  -7.385
   86    HH   TYR  11           HH       TYR  11  -7.058   4.755  -7.400
   87    HA   PRO  12           HA       PRO  12   0.670  -2.590  -6.409
   88    HB2  PRO  12           2HB      PRO  12   0.095  -4.798  -8.370
   89    HB3  PRO  12           1HB      PRO  12   0.792  -4.904  -6.743
   90    HG2  PRO  12           2HG      PRO  12  -1.749  -5.589  -7.215
   91    HG3  PRO  12           1HG      PRO  12  -1.266  -4.795  -5.707
   92    HD2  PRO  12           2HD      PRO  12  -2.790  -3.668  -7.999
   93    HD3  PRO  12           1HD      PRO  12  -2.782  -3.161  -6.294
   94    H    VAL  13           H        VAL  13   2.189  -1.274  -7.371
   95    HA   VAL  13           HA       VAL  13   2.712  -1.671 -10.249
   96    HB   VAL  13           HB       VAL  13   1.360   0.357 -10.012
   97   HG11  VAL  13          1HG1      VAL  13   1.989   0.856  -7.662
   98   HG12  VAL  13          2HG1      VAL  13   2.192   2.260  -8.712
   99   HG13  VAL  13          3HG1      VAL  13   3.599   1.322  -8.209
  100   HG21  VAL  13          3HG2      VAL  13   3.480   0.122 -11.548
  101   HG22  VAL  13          1HG2      VAL  13   4.167   1.329 -10.461
  102   HG23  VAL  13          2HG2      VAL  13   2.704   1.696 -11.375
  103    H    SER  14           H        SER  14   4.844  -1.413 -10.896
  104    HA   SER  14           HA       SER  14   6.873  -2.101  -9.128
  105    HB2  SER  14           2HB      SER  14   7.170  -0.469 -11.664
  106    HB3  SER  14           1HB      SER  14   8.435  -1.399 -10.868
  107    HG   SER  14           HG       SER  14   5.992  -2.554 -11.711
  108    H    LYS  15           H        LYS  15   5.633   1.051 -10.069
  109    HA   LYS  15           HA       LYS  15   7.609   2.703  -8.966
  110    HB2  LYS  15           2HB      LYS  15   4.624   3.196  -9.137
  111    HB3  LYS  15           1HB      LYS  15   5.857   4.430  -8.882
  112    HG2  LYS  15           2HG      LYS  15   5.906   2.590 -11.279
  113    HG3  LYS  15           1HG      LYS  15   5.035   4.123 -11.293
  114    HD2  LYS  15           2HD      LYS  15   7.238   5.185 -10.487
  115    HD3  LYS  15           1HD      LYS  15   8.002   3.665 -10.953
  116    HE2  LYS  15           2HE      LYS  15   6.383   5.475 -12.770
  117    HE3  LYS  15           1HE      LYS  15   8.132   5.263 -12.806
  118    HZ1  LYS  15           3HZ      LYS  15   7.409   2.753 -13.019
  119    HZ2  LYS  15           1HZ      LYS  15   7.545   3.760 -14.377
  120    HZ3  LYS  15           2HZ      LYS  15   6.019   3.455 -13.696
  121    H    CYS  16           H        CYS  16   5.101   0.807  -7.487
  122    HA   CYS  16           HA       CYS  16   5.072   2.180  -4.971
  123    HB2  CYS  16           2HB      CYS  16   3.605   0.087  -6.195
  124    HB3  CYS  16           1HB      CYS  16   4.293  -0.571  -4.711
  125    H    GLN  17           H        GLN  17   7.182  -0.070  -6.467
  126    HA   GLN  17           HA       GLN  17   8.237  -1.586  -4.438
  127    HB2  GLN  17           2HB      GLN  17  10.292  -1.648  -5.673
  128    HB3  GLN  17           1HB      GLN  17   8.992  -1.520  -6.858
  129    HG2  GLN  17           2HG      GLN  17   9.352   1.027  -6.712
  130    HG3  GLN  17           1HG      GLN  17  10.873   0.640  -5.908
  131   HE21  GLN  17          1HE2      GLN  17  12.385   1.119  -7.553
  132   HE22  GLN  17          2HE2      GLN  17  12.365   0.397  -9.090
  133    H    LEU  18           H        LEU  18   8.103   1.800  -4.630
  134    HA   LEU  18           HA       LEU  18  10.210   2.132  -2.592
  135    HB2  LEU  18           2HB      LEU  18   8.760   4.229  -4.230
  136    HB3  LEU  18           1HB      LEU  18  10.094   4.522  -3.115
  137    HG   LEU  18           HG       LEU  18  10.229   2.788  -5.599
  138   HD11  LEU  18          1HD1      LEU  18  11.233   5.572  -4.959
  139   HD12  LEU  18          2HD1      LEU  18  10.151   5.091  -6.266
  140   HD13  LEU  18          3HD1      LEU  18  11.850   4.619  -6.310
  141   HD21  LEU  18          3HD2      LEU  18  11.818   1.857  -4.166
  142   HD22  LEU  18          1HD2      LEU  18  12.124   3.389  -3.347
  143   HD23  LEU  18          2HD2      LEU  18  12.770   3.108  -4.964
  144    H    ALA  19           H        ALA  19   9.378   1.827  -0.606
  145    HA   ALA  19           HA       ALA  19   6.786   1.977   0.257
  146    HB1  ALA  19           1HB      ALA  19   9.168   2.911   1.870
  147    HB2  ALA  19           2HB      ALA  19   8.733   1.220   1.627
  148    HB3  ALA  19           3HB      ALA  19   7.640   2.294   2.499
  149    H    ASN  20           H        ASN  20   8.695   4.549  -0.870
  150    HA   ASN  20           HA       ASN  20   7.343   6.646   0.603
  151    HB2  ASN  20           2HB      ASN  20   9.222   6.713  -1.769
  152    HB3  ASN  20           1HB      ASN  20   8.581   8.149  -0.972
  153   HD21  ASN  20          1HD2      ASN  20  11.411   6.773  -1.109
  154   HD22  ASN  20          2HD2      ASN  20  11.905   6.782   0.516
  155    H    GLN  21           H        GLN  21   7.305   5.336  -2.693
  156    HA   GLN  21           HA       GLN  21   5.342   7.092  -3.736
  157    HB2  GLN  21           2HB      GLN  21   6.200   4.301  -4.529
  158    HB3  GLN  21           1HB      GLN  21   5.035   5.255  -5.448
  159    HG2  GLN  21           2HG      GLN  21   7.795   6.272  -4.745
  160    HG3  GLN  21           1HG      GLN  21   7.443   5.420  -6.247
  161   HE21  GLN  21          1HE2      GLN  21   7.941   8.461  -5.281
  162   HE22  GLN  21          2HE2      GLN  21   6.818   9.295  -6.242
  163    H    CYS  22           H        CYS  22   5.167   3.948  -2.139
  164    HA   CYS  22           HA       CYS  22   2.513   3.284  -2.536
  165    HB2  CYS  22           2HB      CYS  22   3.964   2.885   0.081
  166    HB3  CYS  22           1HB      CYS  22   2.698   1.878  -0.622
  167    H    ASN  23           H        ASN  23   3.786   5.007   0.330
  168    HA   ASN  23           HA       ASN  23   1.213   5.607   1.361
  169    HB2  ASN  23           2HB      ASN  23   2.469   7.212   2.827
  170    HB3  ASN  23           1HB      ASN  23   3.073   5.556   2.861
  171   HD21  ASN  23          1HD2      ASN  23   4.398   8.393   3.164
  172   HD22  ASN  23          2HD2      ASN  23   5.763   8.272   2.164
  173    H    TYR  24           H        TYR  24   3.537   7.571  -0.493
  174    HA   TYR  24           HA       TYR  24   2.082   9.975  -0.457
  175    HB2  TYR  24           2HB      TYR  24   4.214   8.808  -2.170
  176    HB3  TYR  24           1HB      TYR  24   3.321  10.187  -2.811
  177    HD1  TYR  24           1HD      TYR  24   4.989   9.056   0.356
  178    HD2  TYR  24           2HD      TYR  24   4.011  12.339  -2.236
  179    HE1  TYR  24           1HE      TYR  24   6.301  10.588   1.799
  180    HE2  TYR  24           2HE      TYR  24   5.323  13.870  -0.793
  181    HH   TYR  24           HH       TYR  24   7.512  13.249   1.034
  182    H    ASP  25           H        ASP  25   2.171   7.440  -2.967
  183    HA   ASP  25           HA       ASP  25   0.157   8.580  -4.594
  184    HB2  ASP  25           2HB      ASP  25   1.078   5.715  -4.330
  185    HB3  ASP  25           1HB      ASP  25   0.031   6.315  -5.614
  186    H    CYS  26           H        CYS  26   0.011   6.097  -2.047
  187    HA   CYS  26           HA       CYS  26  -2.761   5.563  -2.324
  188    HB2  CYS  26           2HB      CYS  26  -0.861   5.203   0.001
  189    HB3  CYS  26           1HB      CYS  26  -2.528   4.627   0.006
  190    H    LYS  27           H        LYS  27  -0.932   7.767  -0.219
  191    HA   LYS  27           HA       LYS  27  -2.949   8.755   1.386
  192    HB2  LYS  27           2HB      LYS  27  -0.474   9.968   0.211
  193    HB3  LYS  27           1HB      LYS  27  -1.603  11.001   1.088
  194    HG2  LYS  27           2HG      LYS  27  -1.362   9.751   3.091
  195    HG3  LYS  27           1HG      LYS  27  -0.602   8.400   2.251
  196    HD2  LYS  27           2HD      LYS  27   1.068   9.745   3.487
  197    HD3  LYS  27           1HD      LYS  27   1.359   9.799   1.748
  198    HE2  LYS  27           2HE      LYS  27   1.450  12.040   3.015
  199    HE3  LYS  27           1HE      LYS  27   0.463  11.986   1.554
  200    HZ1  LYS  27           3HZ      LYS  27  -0.650  11.470   4.249
  201    HZ2  LYS  27           1HZ      LYS  27  -1.494  11.798   2.815
  202    HZ3  LYS  27           2HZ      LYS  27  -0.593  13.026   3.568
  203    H    LEU  28           H        LEU  28  -1.985   9.924  -1.831
  204    HA   LEU  28           HA       LEU  28  -4.100  11.838  -2.036
  205    HB2  LEU  28           2HB      LEU  28  -2.419  10.598  -4.229
  206    HB3  LEU  28           1HB      LEU  28  -3.372  12.076  -4.347
  207    HG   LEU  28           HG       LEU  28  -1.069  11.655  -2.420
  208   HD11  LEU  28          1HD1      LEU  28   0.188  13.144  -3.869
  209   HD12  LEU  28          2HD1      LEU  28  -1.212  13.365  -4.920
  210   HD13  LEU  28          3HD1      LEU  28  -0.410  11.797  -4.837
  211   HD21  LEU  28          3HD2      LEU  28  -2.434  13.266  -1.412
  212   HD22  LEU  28          1HD2      LEU  28  -3.010  13.890  -2.958
  213   HD23  LEU  28          2HD2      LEU  28  -1.379  14.270  -2.408
  214    H    ASP  29           H        ASP  29  -3.703   8.476  -2.973
  215    HA   ASP  29           HA       ASP  29  -6.207   8.525  -4.489
  216    HB2  ASP  29           2HB      ASP  29  -4.072   6.421  -4.141
  217    HB3  ASP  29           1HB      ASP  29  -5.547   6.177  -5.075
  218    H    LYS  30           H        LYS  30  -4.797   6.272  -2.079
  219    HA   LYS  30           HA       LYS  30  -7.539   5.492  -1.380
  220    HB2  LYS  30           2HB      LYS  30  -4.972   4.136  -0.560
  221    HB3  LYS  30           1HB      LYS  30  -6.605   3.465  -0.546
  222    HG2  LYS  30           2HG      LYS  30  -5.043   4.311  -3.006
  223    HG3  LYS  30           1HG      LYS  30  -5.397   2.653  -2.517
  224    HD2  LYS  30           2HD      LYS  30  -7.880   3.363  -2.586
  225    HD3  LYS  30           1HD      LYS  30  -7.317   4.763  -3.499
  226    HE2  LYS  30           2HE      LYS  30  -6.122   3.104  -5.034
  227    HE3  LYS  30           1HE      LYS  30  -7.061   1.843  -4.237
  228    HZ1  LYS  30           3HZ      LYS  30  -8.291   4.237  -5.475
  229    HZ2  LYS  30           1HZ      LYS  30  -9.070   2.826  -4.947
  230    HZ3  LYS  30           2HZ      LYS  30  -8.061   2.778  -6.312
  231    H    HIS  31           H        HIS  31  -5.407   7.693  -0.223
  232    HA   HIS  31           HA       HIS  31  -5.205   8.797   1.787
  233    HB2  HIS  31           2HB      HIS  31  -7.684   7.320   2.660
  234    HB3  HIS  31           1HB      HIS  31  -7.136   8.922   3.149
  235    HD2  HIS  31           2HD      HIS  31  -7.214  10.859   0.876
  236    HE1  HIS  31           1HE      HIS  31 -10.250   8.694  -1.105
  237    HE2  HIS  31           2HE      HIS  31  -9.010  10.909  -1.020
  238    H    ALA  32           H        ALA  32  -3.347   7.105   1.935
  239    HA   ALA  32           HA       ALA  32  -3.792   5.308   4.236
  240    HB1  ALA  32           1HB      ALA  32  -2.868   4.216   2.244
  241    HB2  ALA  32           2HB      ALA  32  -1.678   4.230   3.544
  242    HB3  ALA  32           3HB      ALA  32  -1.537   5.376   2.212
  243    H    ARG  33           H        ARG  33  -2.522   5.483   6.082
  244    HA   ARG  33           HA       ARG  33  -1.433   8.108   6.576
  245    HB2  ARG  33           2HB      ARG  33  -1.416   5.652   8.340
  246    HB3  ARG  33           1HB      ARG  33  -1.061   7.304   8.848
  247    HG2  ARG  33           2HG      ARG  33  -3.692   6.409   7.634
  248    HG3  ARG  33           1HG      ARG  33  -3.410   6.635   9.362
  249    HD2  ARG  33           2HD      ARG  33  -2.592   9.013   8.662
  250    HD3  ARG  33           1HD      ARG  33  -3.484   8.699   7.176
  251    HE   ARG  33           HE       ARG  33  -4.973   8.238   9.634
  252   HH11  ARG  33          1HH2      ARG  33  -4.072  10.412   7.097
  253   HH12  ARG  33          2HH2      ARG  33  -5.448  11.443   7.302
  254   HH21  ARG  33          1HH1      ARG  33  -6.782   9.586   9.910
  255   HH22  ARG  33          2HH1      ARG  33  -6.983  10.975   8.894
  256    H    SER  34           H        SER  34  -0.116   4.822   6.300
  257    HA   SER  34           HA       SER  34   2.578   6.023   6.082
  258    HB2  SER  34           2HB      SER  34   1.602   3.794   7.800
  259    HB3  SER  34           1HB      SER  34   3.228   3.678   7.130
  260    HG   SER  34           HG       SER  34   3.825   5.121   8.523
  261    H    GLY  35           H        GLY  35   0.223   4.141   4.607
  262    HA2  GLY  35           2HA      GLY  35   0.248   2.578   2.894
  263    HA3  GLY  35           1HA      GLY  35   1.480   3.655   2.244
  264    H    GLU  36           H        GLU  36   0.861   0.523   3.134
  265    HA   GLU  36           HA       GLU  36   3.747  -0.062   3.420
  266    HB2  GLU  36           2HB      GLU  36   1.439  -1.487   4.770
  267    HB3  GLU  36           1HB      GLU  36   3.128  -1.993   4.843
  268    HG2  GLU  36           2HG      GLU  36   2.744  -0.729   6.833
  269    HG3  GLU  36           1HG      GLU  36   3.646   0.336   5.754
  270    H    CYS  37           H        CYS  37   4.479  -1.161   1.731
  271    HA   CYS  37           HA       CYS  37   2.588  -2.842   0.205
  272    HB2  CYS  37           2HB      CYS  37   5.006  -1.251  -0.586
  273    HB3  CYS  37           1HB      CYS  37   4.454  -2.598  -1.581
  274    H    PHE  38           H        PHE  38   2.871  -4.970   0.209
  275    HA   PHE  38           HA       PHE  38   5.500  -6.040   1.046
  276    HB2  PHE  38           2HB      PHE  38   2.791  -7.304   1.517
  277    HB3  PHE  38           1HB      PHE  38   4.348  -7.898   2.094
  278    HD1  PHE  38           1HD      PHE  38   1.825  -5.213   2.433
  279    HD2  PHE  38           2HD      PHE  38   5.460  -6.895   3.984
  280    HE1  PHE  38           1HE      PHE  38   1.628  -3.783   4.450
  281    HE2  PHE  38           2HE      PHE  38   5.264  -5.464   5.999
  282    HZ   PHE  38           HZ       PHE  38   3.347  -3.908   6.232
  283    H    TYR  39           H        TYR  39   5.844  -8.327   0.265
  284    HA   TYR  39           HA       TYR  39   5.006  -8.495  -2.553
  285    HB2  TYR  39           2HB      TYR  39   7.274  -9.857  -1.077
  286    HB3  TYR  39           1HB      TYR  39   6.915 -10.058  -2.792
  287    HD1  TYR  39           1HD      TYR  39   7.580  -7.391  -0.243
  288    HD2  TYR  39           2HD      TYR  39   7.876  -8.603  -4.353
  289    HE1  TYR  39           1HE      TYR  39   8.872  -5.339  -0.755
  290    HE2  TYR  39           2HE      TYR  39   9.168  -6.549  -4.865
  291    HH   TYR  39           HH       TYR  39   9.433  -4.258  -3.903
  292    H    ASP  40           H        ASP  40   3.512  -9.933  -3.116
  293    HA   ASP  40           HA       ASP  40   2.771 -12.042  -1.216
  294    HB2  ASP  40           2HB      ASP  40   0.772 -12.303  -2.635
  295    HB3  ASP  40           1HB      ASP  40   0.969 -10.636  -2.100
  296    H    GLU  41           H        GLU  41   1.641 -13.867  -2.980
  297    HA   GLU  41           HA       GLU  41   3.927 -15.395  -3.736
  298    HB2  GLU  41           2HB      GLU  41   0.992 -15.789  -4.358
  299    HB3  GLU  41           1HB      GLU  41   2.256 -16.982  -4.658
  300    HG2  GLU  41           2HG      GLU  41   1.641 -15.792  -1.939
  301    HG3  GLU  41           1HG      GLU  41   1.047 -17.355  -2.497
  302    H    LYS  42           H        LYS  42   1.779 -13.213  -5.409
  303    HA   LYS  42           HA       LYS  42   2.559 -14.022  -8.061
  304    HB2  LYS  42           2HB      LYS  42   1.235 -11.454  -7.157
  305    HB3  LYS  42           1HB      LYS  42   1.289 -12.086  -8.803
  306    HG2  LYS  42           2HG      LYS  42   0.058 -14.111  -8.032
  307    HG3  LYS  42           1HG      LYS  42  -0.067 -13.392  -6.426
  308    HD2  LYS  42           2HD      LYS  42  -1.223 -11.421  -7.466
  309    HD3  LYS  42           1HD      LYS  42  -1.226 -12.290  -9.000
  310    HE2  LYS  42           2HE      LYS  42  -3.368 -12.632  -7.874
  311    HE3  LYS  42           1HE      LYS  42  -2.472 -14.152  -7.906
  312    HZ1  LYS  42           3HZ      LYS  42  -3.524 -13.003  -5.696
  313    HZ2  LYS  42           1HZ      LYS  42  -1.899 -12.525  -5.607
  314    HZ3  LYS  42           2HZ      LYS  42  -2.294 -14.174  -5.699
  315    H    ARG  43           H        ARG  43   4.296 -12.619  -5.698
  316    HA   ARG  43           HA       ARG  43   6.241 -11.401  -5.637
  317    HB2  ARG  43           2HB      ARG  43   6.331 -11.638  -8.644
  318    HB3  ARG  43           1HB      ARG  43   7.683 -11.501  -7.517
  319    HG2  ARG  43           2HG      ARG  43   5.793 -13.858  -7.793
  320    HG3  ARG  43           1HG      ARG  43   7.500 -13.819  -8.236
  321    HD2  ARG  43           2HD      ARG  43   6.255 -13.835  -5.504
  322    HD3  ARG  43           1HD      ARG  43   7.579 -14.816  -6.127
  323    HE   ARG  43           HE       ARG  43   7.777 -12.118  -5.044
  324   HH11  ARG  43          1HH2      ARG  43   9.205 -14.683  -6.876
  325   HH12  ARG  43          2HH2      ARG  43  10.830 -14.125  -6.650
  326   HH21  ARG  43          1HH1      ARG  43   9.904 -11.381  -4.742
  327   HH22  ARG  43          2HH1      ARG  43  11.225 -12.256  -5.441
  328    H    ASN  44           H        ASN  44   3.500 -10.214  -6.363
  329    HA   ASN  44           HA       ASN  44   4.389  -7.706  -7.621
  330    HB2  ASN  44           2HB      ASN  44   2.252  -7.413  -8.358
  331    HB3  ASN  44           1HB      ASN  44   2.173  -9.161  -8.137
  332   HD21  ASN  44          1HD2      ASN  44   0.140  -6.801  -7.716
  333   HD22  ASN  44          2HD2      ASN  44  -0.512  -7.138  -6.185
  334    H    LEU  45           H        LEU  45   3.774  -5.675  -6.648
  335    HA   LEU  45           HA       LEU  45   4.146  -5.719  -3.771
  336    HB2  LEU  45           2HB      LEU  45   3.733  -3.337  -5.589
  337    HB3  LEU  45           1HB      LEU  45   4.402  -3.327  -3.957
  338    HG   LEU  45           HG       LEU  45   5.646  -4.878  -6.238
  339   HD11  LEU  45          1HD1      LEU  45   7.362  -2.961  -6.118
  340   HD12  LEU  45          2HD1      LEU  45   6.106  -2.051  -5.278
  341   HD13  LEU  45          3HD1      LEU  45   5.834  -2.613  -6.927
  342   HD21  LEU  45          3HD2      LEU  45   6.421  -5.748  -4.186
  343   HD22  LEU  45          1HD2      LEU  45   6.425  -4.162  -3.413
  344   HD23  LEU  45          2HD2      LEU  45   7.654  -4.561  -4.614
  345    H    GLN  46           H        GLN  46   2.375  -6.247  -2.622
  346    HA   GLN  46           HA       GLN  46  -0.277  -5.419  -3.426
  347    HB2  GLN  46           2HB      GLN  46   0.802  -6.900  -1.025
  348    HB3  GLN  46           1HB      GLN  46  -0.903  -6.480  -1.200
  349    HG2  GLN  46           2HG      GLN  46   0.674  -8.045  -3.260
  350    HG3  GLN  46           1HG      GLN  46  -0.347  -8.787  -2.029
  351   HE21  GLN  46          1HE2      GLN  46  -0.533  -8.368  -5.166
  352   HE22  GLN  46          2HE2      GLN  46  -2.143  -7.867  -5.365
  353    H    CYS  47           H        CYS  47  -0.840  -3.350  -3.179
  354    HA   CYS  47           HA       CYS  47   0.337  -1.627  -1.208
  355    HB2  CYS  47           2HB      CYS  47  -2.182  -1.055  -2.763
  356    HB3  CYS  47           1HB      CYS  47  -0.985   0.088  -2.155
  357    H    ILE  48           H        ILE  48  -0.104  -2.133   0.878
  358    HA   ILE  48           HA       ILE  48  -2.909  -2.615   1.641
  359    HB   ILE  48           HB       ILE  48  -0.428  -2.989   3.330
  360   HG12  ILE  48          2HG1      ILE  48  -1.959  -4.945   1.587
  361   HG13  ILE  48          1HG1      ILE  48  -0.268  -4.473   1.413
  362   HG21  ILE  48          1HG2      ILE  48  -3.183  -4.211   3.610
  363   HG22  ILE  48          2HG2      ILE  48  -2.718  -2.715   4.419
  364   HG23  ILE  48          3HG2      ILE  48  -1.874  -4.219   4.792
  365   HD11  ILE  48          3HD1      ILE  48  -0.019  -5.336   3.859
  366   HD12  ILE  48          1HD1      ILE  48  -0.118  -6.520   2.557
  367   HD13  ILE  48          2HD1      ILE  48  -1.538  -6.177   3.546
  368    H    CYS  49           H        CYS  49  -3.838  -0.640   1.883
  369    HA   CYS  49           HA       CYS  49  -2.440   1.577   3.101
  370    HB2  CYS  49           2HB      CYS  49  -5.364   1.258   2.392
  371    HB3  CYS  49           1HB      CYS  49  -4.567   2.768   2.832
  372    H    ASP  50           H        ASP  50  -2.323   2.025   5.203
  373    HA   ASP  50           HA       ASP  50  -4.081   0.543   7.055
  374    HB2  ASP  50           2HB      ASP  50  -2.393   0.828   8.724
  375    HB3  ASP  50           1HB      ASP  50  -1.573   0.301   7.253
  376    H    TYR  51           H        TYR  51  -5.205   1.600   8.681
  377    HA   TYR  51           HA       TYR  51  -5.349   4.541   8.403
  378    HB2  TYR  51           2HB      TYR  51  -7.430   2.522   9.264
  379    HB3  TYR  51           1HB      TYR  51  -7.606   4.252   9.549
  380    HD1  TYR  51           1HD      TYR  51  -6.494   2.053   6.716
  381    HD2  TYR  51           2HD      TYR  51  -8.902   5.374   7.986
  382    HE1  TYR  51           1HE      TYR  51  -7.307   2.352   4.393
  383    HE2  TYR  51           2HE      TYR  51  -9.716   5.675   5.662
  384    HH   TYR  51           HH       TYR  51  -9.165   3.327   3.210
  385    H    CYS  52           H        CYS  52  -3.789   5.148   9.873
  386    HA   CYS  52           HA       CYS  52  -3.164   5.866  11.980
  387    HB2  CYS  52           2HB      CYS  52  -5.272   4.133  13.230
  388    HB3  CYS  52           1HB      CYS  52  -4.622   5.674  13.792
  389    H    GLU  53           H        GLU  53  -4.353   2.530  12.483
  390    HA   GLU  53           HA       GLU  53  -1.983   1.827  13.959
  391    HB2  GLU  53           2HB      GLU  53  -4.245   0.097  12.935
  392    HB3  GLU  53           1HB      GLU  53  -3.004  -0.411  14.079
  393    HG2  GLU  53           2HG      GLU  53  -4.898   1.912  14.530
  394    HG3  GLU  53           1HG      GLU  53  -5.127   0.296  15.196
  395    H    TYR  54           H        TYR  54  -0.101   1.420  13.011
  396    HA   TYR  54           HA       TYR  54   0.005   0.513  10.242
  397    HB2  TYR  54           2HB      TYR  54   2.369   0.944  10.375
  398    HB3  TYR  54           1HB      TYR  54   1.537   2.294  11.147
  399    HD1  TYR  54           1HD      TYR  54   3.610  -0.699  11.697
  400    HD2  TYR  54           2HD      TYR  54   1.583   2.591  13.573
  401    HE1  TYR  54           1HE      TYR  54   4.850  -1.135  13.800
  402    HE2  TYR  54           2HE      TYR  54   2.822   2.154  15.677
  403    HH   TYR  54           HH       TYR  54   5.471   0.646  15.969
  Start of MODEL   12
    1    H1   ASP   2           H        ASP   2  -4.663  -6.256  11.717
    2    HA   ASP   2           HA       ASP   2  -7.276  -6.083  12.766
    3    HB2  ASP   2           2HB      ASP   2  -5.205  -3.937  12.262
    4    HB3  ASP   2           1HB      ASP   2  -6.698  -3.672  13.160
    5    H    LYS   3           H        LYS   3  -8.969  -4.572  12.223
    6    HA   LYS   3           HA       LYS   3  -9.719  -4.645   9.507
    7    HB2  LYS   3           2HB      LYS   3 -11.577  -3.220  10.163
    8    HB3  LYS   3           1HB      LYS   3 -11.312  -4.440  11.410
    9    HG2  LYS   3           2HG      LYS   3  -9.918  -2.757  12.659
   10    HG3  LYS   3           1HG      LYS   3 -10.409  -1.548  11.471
   11    HD2  LYS   3           2HD      LYS   3 -12.818  -2.146  12.033
   12    HD3  LYS   3           1HD      LYS   3 -12.182  -3.073  13.392
   13    HE2  LYS   3           2HE      LYS   3 -11.839  -0.103  12.901
   14    HE3  LYS   3           1HE      LYS   3 -12.759  -0.863  14.198
   15    HZ1  LYS   3           3HZ      LYS   3 -10.568  -0.123  14.937
   16    HZ2  LYS   3           1HZ      LYS   3  -9.830  -1.133  13.791
   17    HZ3  LYS   3           2HZ      LYS   3 -10.730  -1.809  15.065
   18    H    CYS   4           H        CYS   4  -8.001  -2.258  11.414
   19    HA   CYS   4           HA       CYS   4  -8.239   0.009   9.838
   20    HB2  CYS   4           2HB      CYS   4  -5.600  -0.779  11.041
   21    HB3  CYS   4           1HB      CYS   4  -6.328   0.823  10.923
   22    H    LYS   5           H        LYS   5  -6.823  -2.986   9.041
   23    HA   LYS   5           HA       LYS   5  -5.180  -1.825   6.899
   24    HB2  LYS   5           2HB      LYS   5  -5.444  -4.705   7.789
   25    HB3  LYS   5           1HB      LYS   5  -4.280  -4.076   6.623
   26    HG2  LYS   5           2HG      LYS   5  -4.467  -3.170   9.510
   27    HG3  LYS   5           1HG      LYS   5  -3.311  -4.360   8.911
   28    HD2  LYS   5           2HD      LYS   5  -2.685  -2.517   7.173
   29    HD3  LYS   5           1HD      LYS   5  -3.467  -1.417   8.309
   30    HE2  LYS   5           2HE      LYS   5  -1.140  -1.467   8.899
   31    HE3  LYS   5           1HE      LYS   5  -1.991  -2.415  10.119
   32    HZ1  LYS   5           3HZ      LYS   5   0.065  -3.239   8.413
   33    HZ2  LYS   5           1HZ      LYS   5  -1.332  -4.100   7.984
   34    HZ3  LYS   5           2HZ      LYS   5  -0.759  -4.154   9.583
   35    H    LYS   6           H        LYS   6  -5.661  -2.007   4.778
   36    HA   LYS   6           HA       LYS   6  -7.766  -3.834   3.900
   37    HB2  LYS   6           2HB      LYS   6  -7.917  -0.828   3.536
   38    HB3  LYS   6           1HB      LYS   6  -8.904  -1.984   2.639
   39    HG2  LYS   6           2HG      LYS   6  -9.641  -2.913   4.900
   40    HG3  LYS   6           1HG      LYS   6  -8.894  -1.488   5.622
   41    HD2  LYS   6           2HD      LYS   6 -10.932  -1.286   3.399
   42    HD3  LYS   6           1HD      LYS   6 -11.394  -1.306   5.102
   43    HE2  LYS   6           2HE      LYS   6  -9.565   0.697   3.749
   44    HE3  LYS   6           1HE      LYS   6 -11.180   1.007   4.386
   45    HZ1  LYS   6           3HZ      LYS   6  -9.886   1.696   6.119
   46    HZ2  LYS   6           1HZ      LYS   6  -8.666   0.555   5.827
   47    HZ3  LYS   6           2HZ      LYS   6 -10.121   0.073   6.561
   48    H    VAL   7           H        VAL   7  -7.044  -4.822   2.139
   49    HA   VAL   7           HA       VAL   7  -4.715  -3.836   0.744
   50    HB   VAL   7           HB       VAL   7  -6.443  -6.226   0.085
   51   HG11  VAL   7          1HG1      VAL   7  -3.569  -5.504  -0.566
   52   HG12  VAL   7          2HG1      VAL   7  -4.912  -5.543  -1.708
   53   HG13  VAL   7          3HG1      VAL   7  -4.343  -7.038  -0.966
   54   HG21  VAL   7          3HG2      VAL   7  -5.729  -6.536   2.340
   55   HG22  VAL   7          1HG2      VAL   7  -4.139  -5.850   2.008
   56   HG23  VAL   7          2HG2      VAL   7  -4.570  -7.434   1.360
   57    H    TYR   8           H        TYR   8  -4.594  -2.907  -1.217
   58    HA   TYR   8           HA       TYR   8  -7.146  -2.331  -2.593
   59    HB2  TYR   8           2HB      TYR   8  -4.677  -0.731  -2.121
   60    HB3  TYR   8           1HB      TYR   8  -5.522  -0.495  -3.651
   61    HD1  TYR   8           2HD      TYR   8  -7.803   0.389  -3.715
   62    HD2  TYR   8           1HD      TYR   8  -5.741  -0.176   0.011
   63    HE1  TYR   8           2HE      TYR   8  -9.507   1.775  -2.561
   64    HE2  TYR   8           1HE      TYR   8  -7.445   1.209   1.164
   65    HH   TYR   8           HH       TYR   8  -9.131   3.194   0.240
   66    H    GLU   9           H        GLU   9  -6.932  -4.443  -3.642
   67    HA   GLU   9           HA       GLU   9  -4.793  -5.106  -5.363
   68    HB2  GLU   9           2HB      GLU   9  -7.709  -5.893  -5.579
   69    HB3  GLU   9           1HB      GLU   9  -6.355  -6.696  -6.377
   70    HG2  GLU   9           2HG      GLU   9  -6.619  -6.384  -3.375
   71    HG3  GLU   9           1HG      GLU   9  -7.078  -7.835  -4.263
   72    H    ASN  10           H        ASN  10  -4.743  -5.070  -7.685
   73    HA   ASN  10           HA       ASN  10  -4.933  -4.057  -9.739
   74    HB2  ASN  10           2HB      ASN  10  -7.513  -2.799  -8.836
   75    HB3  ASN  10           1HB      ASN  10  -7.045  -3.315 -10.454
   76   HD21  ASN  10          1HD2      ASN  10  -9.449  -4.309  -9.656
   77   HD22  ASN  10          2HD2      ASN  10  -9.326  -5.938  -9.195
   78    H    TYR  11           H        TYR  11  -3.320  -2.810  -7.928
   79    HA   TYR  11           HA       TYR  11  -3.563  -0.055  -8.803
   80    HB2  TYR  11           2HB      TYR  11  -4.158  -0.898  -6.035
   81    HB3  TYR  11           1HB      TYR  11  -3.108   0.511  -6.200
   82    HD1  TYR  11           2HD      TYR  11  -3.901   2.566  -7.277
   83    HD2  TYR  11           1HD      TYR  11  -6.461  -0.860  -6.860
   84    HE1  TYR  11           2HE      TYR  11  -5.868   3.969  -7.831
   85    HE2  TYR  11           1HE      TYR  11  -8.428   0.545  -7.416
   86    HH   TYR  11           HH       TYR  11  -8.732   3.473  -7.148
   87    HA   PRO  12           HA       PRO  12   0.666  -0.694  -6.197
   88    HB2  PRO  12           2HB      PRO  12   1.156  -3.493  -6.685
   89    HB3  PRO  12           1HB      PRO  12   0.962  -2.689  -5.117
   90    HG2  PRO  12           2HG      PRO  12  -1.027  -4.171  -6.734
   91    HG3  PRO  12           1HG      PRO  12  -0.935  -3.940  -4.979
   92    HD2  PRO  12           2HD      PRO  12  -2.801  -2.641  -6.377
   93    HD3  PRO  12           1HD      PRO  12  -1.932  -1.791  -5.078
   94    H    VAL  13           H        VAL  13   2.376  -0.191  -7.551
   95    HA   VAL  13           HA       VAL  13   2.488  -1.481 -10.204
   96    HB   VAL  13           HB       VAL  13   1.326   0.600 -10.571
   97   HG11  VAL  13          1HG1      VAL  13   3.518   1.708  -8.831
   98   HG12  VAL  13          2HG1      VAL  13   1.773   1.926  -8.684
   99   HG13  VAL  13          3HG1      VAL  13   2.662   2.749  -9.968
  100   HG21  VAL  13          3HG2      VAL  13   3.277  -0.132 -12.084
  101   HG22  VAL  13          1HG2      VAL  13   4.206   1.145 -11.300
  102   HG23  VAL  13          2HG2      VAL  13   2.753   1.547 -12.216
  103    H    SER  14           H        SER  14   4.559  -1.082 -11.332
  104    HA   SER  14           HA       SER  14   6.770  -1.862  -9.899
  105    HB2  SER  14           2HB      SER  14   6.820  -0.012 -12.298
  106    HB3  SER  14           1HB      SER  14   8.129  -1.055 -11.750
  107    HG   SER  14           HG       SER  14   5.582  -1.803 -12.754
  108    H    LYS  15           H        LYS  15   5.412   1.335 -10.295
  109    HA   LYS  15           HA       LYS  15   7.634   2.805  -9.264
  110    HB2  LYS  15           2HB      LYS  15   4.705   3.579  -9.318
  111    HB3  LYS  15           1HB      LYS  15   6.076   4.673  -9.132
  112    HG2  LYS  15           2HG      LYS  15   5.695   2.881 -11.543
  113    HG3  LYS  15           1HG      LYS  15   5.142   4.556 -11.480
  114    HD2  LYS  15           2HD      LYS  15   7.569   5.128 -10.794
  115    HD3  LYS  15           1HD      LYS  15   7.972   3.511 -11.374
  116    HE2  LYS  15           2HE      LYS  15   6.651   5.717 -12.981
  117    HE3  LYS  15           1HE      LYS  15   8.297   5.117 -13.183
  118    HZ1  LYS  15           3HZ      LYS  15   7.192   3.920 -14.766
  119    HZ2  LYS  15           1HZ      LYS  15   5.751   3.834 -13.876
  120    HZ3  LYS  15           2HZ      LYS  15   7.070   2.852 -13.452
  121    H    CYS  16           H        CYS  16   4.972   1.062  -7.860
  122    HA   CYS  16           HA       CYS  16   4.994   2.290  -5.294
  123    HB2  CYS  16           2HB      CYS  16   4.051  -0.429  -6.231
  124    HB3  CYS  16           1HB      CYS  16   3.825   0.169  -4.586
  125    H    GLN  17           H        GLN  17   7.086   0.057  -6.858
  126    HA   GLN  17           HA       GLN  17   8.141  -1.478  -4.827
  127    HB2  GLN  17           2HB      GLN  17  10.169  -1.596  -6.107
  128    HB3  GLN  17           1HB      GLN  17   8.838  -1.479  -7.260
  129    HG2  GLN  17           2HG      GLN  17   9.229   1.054  -7.215
  130    HG3  GLN  17           1HG      GLN  17  10.749   0.696  -6.397
  131   HE21  GLN  17          1HE2      GLN  17  12.224   1.175  -8.091
  132   HE22  GLN  17          2HE2      GLN  17  12.221   0.370  -9.584
  133    H    LEU  18           H        LEU  18   7.944   1.863  -4.935
  134    HA   LEU  18           HA       LEU  18  10.193   2.220  -3.056
  135    HB2  LEU  18           2HB      LEU  18   8.610   4.317  -4.564
  136    HB3  LEU  18           1HB      LEU  18  10.027   4.605  -3.555
  137    HG   LEU  18           HG       LEU  18   9.987   2.874  -6.045
  138   HD11  LEU  18          1HD1      LEU  18  10.908   5.705  -5.513
  139   HD12  LEU  18          2HD1      LEU  18   9.795   5.141  -6.759
  140   HD13  LEU  18          3HD1      LEU  18  11.513   4.763  -6.875
  141   HD21  LEU  18          3HD2      LEU  18  12.560   3.263  -5.642
  142   HD22  LEU  18          1HD2      LEU  18  11.718   2.012  -4.727
  143   HD23  LEU  18          2HD2      LEU  18  12.058   3.572  -3.979
  144    H    ALA  19           H        ALA  19   9.527   1.944  -1.011
  145    HA   ALA  19           HA       ALA  19   6.959   2.058  -0.008
  146    HB1  ALA  19           1HB      ALA  19   8.838   1.179   1.284
  147    HB2  ALA  19           2HB      ALA  19   7.997   2.425   2.206
  148    HB3  ALA  19           3HB      ALA  19   9.527   2.798   1.414
  149    H    ASN  20           H        ASN  20   8.805   4.623  -1.210
  150    HA   ASN  20           HA       ASN  20   7.580   6.694   0.418
  151    HB2  ASN  20           2HB      ASN  20   9.353   6.819  -2.032
  152    HB3  ASN  20           1HB      ASN  20   8.779   8.231  -1.148
  153   HD21  ASN  20          1HD2      ASN  20  11.573   6.820  -1.473
  154   HD22  ASN  20          2HD2      ASN  20  12.140   6.750   0.125
  155    H    GLN  21           H        GLN  21   7.472   5.650  -2.983
  156    HA   GLN  21           HA       GLN  21   5.453   7.420  -3.836
  157    HB2  GLN  21           2HB      GLN  21   6.201   4.658  -4.832
  158    HB3  GLN  21           1HB      GLN  21   5.116   5.764  -5.675
  159    HG2  GLN  21           2HG      GLN  21   7.915   6.563  -4.869
  160    HG3  GLN  21           1HG      GLN  21   7.567   5.794  -6.417
  161   HE21  GLN  21          1HE2      GLN  21   8.502   8.603  -5.914
  162   HE22  GLN  21          2HE2      GLN  21   7.320   9.601  -6.614
  163    H    CYS  22           H        CYS  22   5.342   4.255  -2.309
  164    HA   CYS  22           HA       CYS  22   2.654   3.611  -2.732
  165    HB2  CYS  22           2HB      CYS  22   4.481   2.927  -0.424
  166    HB3  CYS  22           1HB      CYS  22   2.907   2.183  -0.702
  167    H    ASN  23           H        ASN  23   4.074   5.015   0.237
  168    HA   ASN  23           HA       ASN  23   1.573   5.474   1.473
  169    HB2  ASN  23           2HB      ASN  23   2.773   6.554   3.183
  170    HB3  ASN  23           1HB      ASN  23   3.887   5.343   2.555
  171   HD21  ASN  23          1HD2      ASN  23   4.152   8.271   3.752
  172   HD22  ASN  23          2HD2      ASN  23   5.268   8.988   2.692
  173    H    TYR  24           H        TYR  24   3.699   7.628  -0.394
  174    HA   TYR  24           HA       TYR  24   2.158   9.978  -0.014
  175    HB2  TYR  24           2HB      TYR  24   4.336   9.106  -1.825
  176    HB3  TYR  24           1HB      TYR  24   3.338  10.448  -2.386
  177    HD1  TYR  24           2HD      TYR  24   3.252  12.565  -1.163
  178    HD2  TYR  24           1HD      TYR  24   5.706   9.308   0.191
  179    HE1  TYR  24           2HE      TYR  24   4.447  14.102   0.372
  180    HE2  TYR  24           1HE      TYR  24   6.900  10.848   1.726
  181    HH   TYR  24           HH       TYR  24   5.864  13.564   2.777
  182    H    ASP  25           H        ASP  25   2.325   7.740  -2.790
  183    HA   ASP  25           HA       ASP  25   0.256   8.944  -4.276
  184    HB2  ASP  25           2HB      ASP  25   1.167   6.062  -4.290
  185    HB3  ASP  25           1HB      ASP  25   0.213   6.846  -5.547
  186    H    CYS  26           H        CYS  26   0.202   6.337  -1.871
  187    HA   CYS  26           HA       CYS  26  -2.515   5.627  -2.209
  188    HB2  CYS  26           2HB      CYS  26  -0.616   5.362   0.125
  189    HB3  CYS  26           1HB      CYS  26  -2.262   4.728   0.157
  190    H    LYS  27           H        LYS  27  -0.902   7.992  -0.117
  191    HA   LYS  27           HA       LYS  27  -3.118   8.789   1.408
  192    HB2  LYS  27           2HB      LYS  27  -0.594  10.172   0.533
  193    HB3  LYS  27           1HB      LYS  27  -1.823  11.043   1.449
  194    HG2  LYS  27           2HG      LYS  27  -1.595   9.640   3.326
  195    HG3  LYS  27           1HG      LYS  27  -0.810   8.366   2.392
  196    HD2  LYS  27           2HD      LYS  27   0.824   9.578   3.798
  197    HD3  LYS  27           1HD      LYS  27   1.170   9.801   2.082
  198    HE2  LYS  27           2HE      LYS  27   1.248  11.914   3.516
  199    HE3  LYS  27           1HE      LYS  27   0.229  11.996   2.079
  200    HZ1  LYS  27           3HZ      LYS  27  -0.790  12.842   4.194
  201    HZ2  LYS  27           1HZ      LYS  27  -0.815  11.238   4.744
  202    HZ3  LYS  27           2HZ      LYS  27  -1.701  11.674   3.361
  203    H    LEU  28           H        LEU  28  -1.904   9.959  -1.708
  204    HA   LEU  28           HA       LEU  28  -3.910  11.962  -2.057
  205    HB2  LEU  28           2HB      LEU  28  -2.157  10.590  -4.111
  206    HB3  LEU  28           1HB      LEU  28  -3.075  12.076  -4.359
  207    HG   LEU  28           HG       LEU  28  -0.919  11.724  -2.254
  208   HD11  LEU  28          1HD1      LEU  28   0.329  13.333  -3.779
  209   HD12  LEU  28          2HD1      LEU  28  -0.887  12.986  -5.008
  210   HD13  LEU  28          3HD1      LEU  28   0.150  11.695  -4.404
  211   HD21  LEU  28          3HD2      LEU  28  -1.154  14.346  -2.462
  212   HD22  LEU  28          1HD2      LEU  28  -2.292  13.442  -1.463
  213   HD23  LEU  28          2HD2      LEU  28  -2.756  13.954  -3.085
  214    H    ASP  29           H        ASP  29  -3.534   8.621  -3.186
  215    HA   ASP  29           HA       ASP  29  -6.119   8.778  -4.561
  216    HB2  ASP  29           2HB      ASP  29  -3.940   6.689  -4.558
  217    HB3  ASP  29           1HB      ASP  29  -5.460   6.530  -5.438
  218    H    LYS  30           H        LYS  30  -4.518   6.368  -2.439
  219    HA   LYS  30           HA       LYS  30  -7.096   5.211  -1.815
  220    HB2  LYS  30           2HB      LYS  30  -4.277   4.547  -0.974
  221    HB3  LYS  30           1HB      LYS  30  -5.692   3.642  -0.431
  222    HG2  LYS  30           2HG      LYS  30  -6.278   3.056  -2.701
  223    HG3  LYS  30           1HG      LYS  30  -5.040   4.133  -3.348
  224    HD2  LYS  30           2HD      LYS  30  -3.324   2.733  -2.103
  225    HD3  LYS  30           1HD      LYS  30  -4.617   1.578  -1.781
  226    HE2  LYS  30           2HE      LYS  30  -5.040   1.546  -4.295
  227    HE3  LYS  30           1HE      LYS  30  -3.521   2.424  -4.469
  228    HZ1  LYS  30           3HZ      LYS  30  -2.372   0.572  -4.139
  229    HZ2  LYS  30           1HZ      LYS  30  -3.826  -0.292  -4.255
  230    HZ3  LYS  30           2HZ      LYS  30  -3.243   0.188  -2.733
  231    H    HIS  31           H        HIS  31  -5.743   7.915  -0.642
  232    HA   HIS  31           HA       HIS  31  -5.965   9.115   1.314
  233    HB2  HIS  31           2HB      HIS  31  -8.282   7.244   1.830
  234    HB3  HIS  31           1HB      HIS  31  -8.074   8.889   2.432
  235    HD2  HIS  31           2HD      HIS  31  -9.463   7.090  -0.697
  236    HE1  HIS  31           1HE      HIS  31  -9.346  11.210  -1.609
  237    HE2  HIS  31           2HE      HIS  31 -10.189   8.945  -2.386
  238    H    ALA  32           H        ALA  32  -4.571   6.319   1.318
  239    HA   ALA  32           HA       ALA  32  -4.846   5.327   3.981
  240    HB1  ALA  32           1HB      ALA  32  -2.305   4.982   2.435
  241    HB2  ALA  32           2HB      ALA  32  -3.780   4.238   1.819
  242    HB3  ALA  32           3HB      ALA  32  -3.185   3.814   3.424
  243    H    ARG  33           H        ARG  33  -3.362   5.560   5.737
  244    HA   ARG  33           HA       ARG  33  -2.351   8.254   5.984
  245    HB2  ARG  33           2HB      ARG  33  -2.128   5.923   7.901
  246    HB3  ARG  33           1HB      ARG  33  -1.800   7.616   8.274
  247    HG2  ARG  33           2HG      ARG  33  -4.464   6.851   7.118
  248    HG3  ARG  33           1HG      ARG  33  -4.161   6.612   8.839
  249    HD2  ARG  33           2HD      ARG  33  -3.896   9.220   7.319
  250    HD3  ARG  33           1HD      ARG  33  -5.158   8.815   8.478
  251    HE   ARG  33           HE       ARG  33  -2.931   8.500   9.963
  252   HH11  ARG  33          1HH2      ARG  33  -3.980  10.977   7.785
  253   HH12  ARG  33          2HH2      ARG  33  -3.157  12.252   8.619
  254   HH21  ARG  33          1HH1      ARG  33  -1.848  10.169  11.063
  255   HH22  ARG  33          2HH1      ARG  33  -1.950  11.794  10.474
  256    H    SER  34           H        SER  34  -0.930   5.001   5.843
  257    HA   SER  34           HA       SER  34   1.701   6.277   5.386
  258    HB2  SER  34           2HB      SER  34   1.225   5.042   7.650
  259    HB3  SER  34           1HB      SER  34   1.469   3.591   6.682
  260    HG   SER  34           HG       SER  34   3.372   5.276   6.020
  261    H    GLY  35           H        GLY  35  -0.681   4.270   4.125
  262    HA2  GLY  35           2HA      GLY  35  -0.614   2.494   2.584
  263    HA3  GLY  35           1HA      GLY  35   0.209   3.762   1.681
  264    H    GLU  36           H        GLU  36   0.533   0.726   3.253
  265    HA   GLU  36           HA       GLU  36   3.452   0.744   2.769
  266    HB2  GLU  36           2HB      GLU  36   1.844  -0.949   4.699
  267    HB3  GLU  36           1HB      GLU  36   3.585  -1.073   4.442
  268    HG2  GLU  36           2HG      GLU  36   2.158   1.446   5.346
  269    HG3  GLU  36           1HG      GLU  36   2.989   0.329   6.427
  270    H    CYS  37           H        CYS  37   4.238  -0.626   1.290
  271    HA   CYS  37           HA       CYS  37   2.375  -2.598   0.120
  272    HB2  CYS  37           2HB      CYS  37   4.679  -1.042  -1.040
  273    HB3  CYS  37           1HB      CYS  37   4.002  -2.456  -1.847
  274    H    PHE  38           H        PHE  38   2.911  -4.708   0.003
  275    HA   PHE  38           HA       PHE  38   5.630  -5.502   0.841
  276    HB2  PHE  38           2HB      PHE  38   3.072  -6.897   1.662
  277    HB3  PHE  38           1HB      PHE  38   4.712  -7.328   2.147
  278    HD1  PHE  38           1HD      PHE  38   1.992  -4.868   2.528
  279    HD2  PHE  38           2HD      PHE  38   5.940  -6.007   3.778
  280    HE1  PHE  38           1HE      PHE  38   1.855  -3.269   4.419
  281    HE2  PHE  38           2HE      PHE  38   5.804  -4.409   5.668
  282    HZ   PHE  38           HZ       PHE  38   3.762  -3.040   5.990
  283    H    TYR  39           H        TYR  39   6.139  -7.775   0.203
  284    HA   TYR  39           HA       TYR  39   5.163  -8.251  -2.518
  285    HB2  TYR  39           2HB      TYR  39   7.433  -9.573  -1.012
  286    HB3  TYR  39           1HB      TYR  39   7.077  -9.750  -2.729
  287    HD1  TYR  39           1HD      TYR  39   7.807  -7.139  -0.145
  288    HD2  TYR  39           2HD      TYR  39   8.036  -8.277  -4.280
  289    HE1  TYR  39           1HE      TYR  39   9.133  -5.102  -0.631
  290    HE2  TYR  39           2HE      TYR  39   9.361  -6.239  -4.767
  291    HH   TYR  39           HH       TYR  39   9.777  -4.055  -3.845
  292    H    ASP  40           H        ASP  40   3.843  -9.886  -3.043
  293    HA   ASP  40           HA       ASP  40   3.054 -11.752  -0.907
  294    HB2  ASP  40           2HB      ASP  40   1.037 -12.129  -2.199
  295    HB3  ASP  40           1HB      ASP  40   1.282 -10.393  -2.012
  296    H    GLU  41           H        GLU  41   2.095 -13.873  -2.164
  297    HA   GLU  41           HA       GLU  41   4.407 -15.318  -2.962
  298    HB2  GLU  41           2HB      GLU  41   1.469 -16.013  -3.185
  299    HB3  GLU  41           1HB      GLU  41   2.793 -17.145  -3.463
  300    HG2  GLU  41           2HG      GLU  41   2.154 -17.493  -1.200
  301    HG3  GLU  41           1HG      GLU  41   3.618 -16.513  -1.118
  302    H    LYS  42           H        LYS  42   1.891 -13.627  -4.704
  303    HA   LYS  42           HA       LYS  42   2.452 -14.768  -7.271
  304    HB2  LYS  42           2HB      LYS  42   1.123 -12.127  -6.620
  305    HB3  LYS  42           1HB      LYS  42   1.021 -13.009  -8.143
  306    HG2  LYS  42           2HG      LYS  42  -0.032 -14.915  -6.940
  307    HG3  LYS  42           1HG      LYS  42   0.004 -13.968  -5.452
  308    HD2  LYS  42           2HD      LYS  42  -1.349 -12.203  -6.613
  309    HD3  LYS  42           1HD      LYS  42  -1.493 -13.286  -7.998
  310    HE2  LYS  42           2HE      LYS  42  -2.691 -14.916  -6.709
  311    HE3  LYS  42           1HE      LYS  42  -2.328 -14.080  -5.198
  312    HZ1  LYS  42           3HZ      LYS  42  -3.924 -12.909  -7.408
  313    HZ2  LYS  42           1HZ      LYS  42  -3.682 -12.250  -5.865
  314    HZ3  LYS  42           2HZ      LYS  42  -4.597 -13.669  -6.046
  315    H    ARG  43           H        ARG  43   4.425 -13.052  -5.384
  316    HA   ARG  43           HA       ARG  43   6.328 -11.821  -5.743
  317    HB2  ARG  43           2HB      ARG  43   5.965 -12.353  -8.692
  318    HB3  ARG  43           1HB      ARG  43   7.468 -12.078  -7.810
  319    HG2  ARG  43           2HG      ARG  43   5.641 -14.486  -7.560
  320    HG3  ARG  43           1HG      ARG  43   7.258 -14.459  -8.261
  321    HD2  ARG  43           2HD      ARG  43   6.440 -14.250  -5.384
  322    HD3  ARG  43           1HD      ARG  43   7.711 -15.227  -6.111
  323    HE   ARG  43           HE       ARG  43   8.085 -12.327  -6.202
  324   HH11  ARG  43          1HH2      ARG  43   8.733 -15.375  -4.696
  325   HH12  ARG  43          2HH2      ARG  43  10.166 -14.828  -3.890
  326   HH21  ARG  43          1HH1      ARG  43   9.963 -11.603  -5.148
  327   HH22  ARG  43          2HH1      ARG  43  10.862 -12.693  -4.145
  328    H    ASN  44           H        ASN  44   3.463 -10.762  -6.176
  329    HA   ASN  44           HA       ASN  44   4.174  -8.305  -7.653
  330    HB2  ASN  44           2HB      ASN  44   2.090  -8.304  -8.501
  331    HB3  ASN  44           1HB      ASN  44   1.939  -9.947  -7.879
  332   HD21  ASN  44          1HD2      ASN  44   0.070  -7.381  -7.995
  333   HD22  ASN  44          2HD2      ASN  44  -0.603  -7.361  -6.437
  334    H    LEU  45           H        LEU  45   3.603  -6.271  -6.741
  335    HA   LEU  45           HA       LEU  45   3.933  -6.194  -3.865
  336    HB2  LEU  45           2HB      LEU  45   3.391  -3.810  -5.625
  337    HB3  LEU  45           1HB      LEU  45   4.314  -3.887  -4.123
  338    HG   LEU  45           HG       LEU  45   5.099  -5.083  -6.795
  339   HD11  LEU  45          1HD1      LEU  45   6.203  -2.841  -5.082
  340   HD12  LEU  45          2HD1      LEU  45   5.544  -2.716  -6.713
  341   HD13  LEU  45          3HD1      LEU  45   7.078  -3.544  -6.443
  342   HD21  LEU  45          3HD2      LEU  45   7.239  -5.625  -5.483
  343   HD22  LEU  45          1HD2      LEU  45   5.837  -6.639  -5.145
  344   HD23  LEU  45          2HD2      LEU  45   6.286  -5.351  -4.025
  345    H    GLN  46           H        GLN  46   2.302  -6.274  -2.474
  346    HA   GLN  46           HA       GLN  46  -0.400  -5.543  -3.373
  347    HB2  GLN  46           2HB      GLN  46   0.573  -7.035  -0.925
  348    HB3  GLN  46           1HB      GLN  46  -1.118  -6.651  -1.252
  349    HG2  GLN  46           2HG      GLN  46   0.678  -8.252  -3.096
  350    HG3  GLN  46           1HG      GLN  46  -0.509  -8.949  -1.996
  351   HE21  GLN  46          1HE2      GLN  46  -0.514  -9.080  -4.980
  352   HE22  GLN  46          2HE2      GLN  46  -1.973  -8.361  -5.468
  353    H    CYS  47           H        CYS  47  -1.144  -3.585  -2.916
  354    HA   CYS  47           HA       CYS  47   0.221  -1.880  -1.008
  355    HB2  CYS  47           2HB      CYS  47  -2.167  -1.432  -2.809
  356    HB3  CYS  47           1HB      CYS  47  -1.480  -0.194  -1.757
  357    H    ILE  48           H        ILE  48  -0.176  -2.365   1.084
  358    HA   ILE  48           HA       ILE  48  -2.941  -2.913   1.923
  359    HB   ILE  48           HB       ILE  48  -0.415  -3.087   3.577
  360   HG12  ILE  48          2HG1      ILE  48  -1.878  -5.244   2.018
  361   HG13  ILE  48          1HG1      ILE  48  -0.278  -4.606   1.638
  362   HG21  ILE  48          1HG2      ILE  48  -2.623  -2.906   4.762
  363   HG22  ILE  48          2HG2      ILE  48  -1.791  -4.433   5.058
  364   HG23  ILE  48          3HG2      ILE  48  -3.141  -4.370   3.925
  365   HD11  ILE  48          3HD1      ILE  48  -1.123  -6.306   3.975
  366   HD12  ILE  48          1HD1      ILE  48   0.311  -5.285   4.087
  367   HD13  ILE  48          2HD1      ILE  48   0.223  -6.548   2.860
  368    H    CYS  49           H        CYS  49  -3.968  -0.979   2.101
  369    HA   CYS  49           HA       CYS  49  -2.677   1.360   3.189
  370    HB2  CYS  49           2HB      CYS  49  -5.559   0.776   2.487
  371    HB3  CYS  49           1HB      CYS  49  -4.970   2.348   3.028
  372    H    ASP  50           H        ASP  50  -2.736   2.121   5.232
  373    HA   ASP  50           HA       ASP  50  -4.220   0.520   7.228
  374    HB2  ASP  50           2HB      ASP  50  -2.544   1.066   8.823
  375    HB3  ASP  50           1HB      ASP  50  -1.680   0.613   7.353
  376    H    TYR  51           H        TYR  51  -5.484   1.532   8.757
  377    HA   TYR  51           HA       TYR  51  -5.909   4.433   8.348
  378    HB2  TYR  51           2HB      TYR  51  -7.840   2.252   9.157
  379    HB3  TYR  51           1HB      TYR  51  -8.190   3.964   9.388
  380    HD1  TYR  51           1HD      TYR  51  -6.847   1.713   6.700
  381    HD2  TYR  51           2HD      TYR  51  -9.380   5.031   7.705
  382    HE1  TYR  51           1HE      TYR  51  -7.558   1.886   4.331
  383    HE2  TYR  51           2HE      TYR  51 -10.092   5.207   5.335
  384    HH   TYR  51           HH       TYR  51  -8.571   3.282   2.817
  385    H    CYS  52           H        CYS  52  -4.492   5.220   9.877
  386    HA   CYS  52           HA       CYS  52  -4.059   6.073  11.977
  387    HB2  CYS  52           2HB      CYS  52  -6.176   4.308  13.163
  388    HB3  CYS  52           1HB      CYS  52  -5.660   5.920  13.664
  389    H    GLU  53           H        GLU  53  -4.599   2.597  11.696
  390    HA   GLU  53           HA       GLU  53  -2.439   2.162  13.670
  391    HB2  GLU  53           2HB      GLU  53  -4.702   0.306  12.895
  392    HB3  GLU  53           1HB      GLU  53  -3.441  -0.046  14.077
  393    HG2  GLU  53           2HG      GLU  53  -5.360   2.293  14.266
  394    HG3  GLU  53           1HG      GLU  53  -5.559   0.769  15.128
  395    H    TYR  54           H        TYR  54  -0.577   1.619  12.760
  396    HA   TYR  54           HA       TYR  54  -0.362   0.713  10.057
  397    HB2  TYR  54           2HB      TYR  54   1.825   0.456  12.110
  398    HB3  TYR  54           1HB      TYR  54   1.963   0.783  10.382
  399    HD1  TYR  54           1HD      TYR  54   1.183   2.217  13.682
  400    HD2  TYR  54           2HD      TYR  54   1.520   3.010   9.474
  401    HE1  TYR  54           1HE      TYR  54   1.140   4.655  14.137
  402    HE2  TYR  54           2HE      TYR  54   1.477   5.447   9.929
  403    HH   TYR  54           HH       TYR  54   1.575   7.019  11.523
  Start of MODEL   13
    1    H1   ASP   2           H        ASP   2  -9.229  -4.061  17.186
    2    HA   ASP   2           HA       ASP   2 -11.196  -3.905  15.191
    3    HB2  ASP   2           2HB      ASP   2  -9.200  -1.839  16.137
    4    HB3  ASP   2           1HB      ASP   2 -10.549  -1.484  15.058
    5    H    LYS   3           H        LYS   3 -11.120  -3.350  13.002
    6    HA   LYS   3           HA       LYS   3  -8.765  -4.295  11.602
    7    HB2  LYS   3           2HB      LYS   3 -10.112  -4.048   9.593
    8    HB3  LYS   3           1HB      LYS   3 -11.068  -4.851  10.839
    9    HG2  LYS   3           2HG      LYS   3 -12.028  -2.604  11.449
   10    HG3  LYS   3           1HG      LYS   3 -11.197  -1.928  10.048
   11    HD2  LYS   3           2HD      LYS   3 -12.384  -3.698   8.648
   12    HD3  LYS   3           1HD      LYS   3 -13.375  -4.028  10.069
   13    HE2  LYS   3           2HE      LYS   3 -14.570  -2.431   8.709
   14    HE3  LYS   3           1HE      LYS   3 -13.961  -1.572  10.125
   15    HZ1  LYS   3           3HZ      LYS   3 -12.517  -1.677   7.538
   16    HZ2  LYS   3           1HZ      LYS   3 -12.183  -0.679   8.869
   17    HZ3  LYS   3           2HZ      LYS   3 -13.593  -0.430   7.953
   18    H    CYS   4           H        CYS   4  -7.319  -3.096  10.465
   19    HA   CYS   4           HA       CYS   4  -7.779  -0.204  10.196
   20    HB2  CYS   4           2HB      CYS   4  -5.110  -1.208  11.140
   21    HB3  CYS   4           1HB      CYS   4  -5.784   0.418  11.244
   22    H    LYS   5           H        LYS   5  -6.634  -3.158   8.989
   23    HA   LYS   5           HA       LYS   5  -5.054  -1.852   6.874
   24    HB2  LYS   5           2HB      LYS   5  -5.321  -4.806   7.456
   25    HB3  LYS   5           1HB      LYS   5  -4.151  -4.031   6.388
   26    HG2  LYS   5           2HG      LYS   5  -4.343  -3.524   9.371
   27    HG3  LYS   5           1HG      LYS   5  -3.188  -4.623   8.617
   28    HD2  LYS   5           2HD      LYS   5  -2.503  -2.596   7.164
   29    HD3  LYS   5           1HD      LYS   5  -3.361  -1.623   8.359
   30    HE2  LYS   5           2HE      LYS   5  -1.052  -3.514   8.900
   31    HE3  LYS   5           1HE      LYS   5  -1.005  -1.753   8.980
   32    HZ1  LYS   5           3HZ      LYS   5  -2.976  -3.219  10.592
   33    HZ2  LYS   5           1HZ      LYS   5  -2.254  -1.712  10.885
   34    HZ3  LYS   5           2HZ      LYS   5  -1.365  -3.140  11.124
   35    H    LYS   6           H        LYS   6  -5.606  -1.965   4.745
   36    HA   LYS   6           HA       LYS   6  -7.939  -3.562   3.961
   37    HB2  LYS   6           2HB      LYS   6  -7.683  -0.614   3.303
   38    HB3  LYS   6           1HB      LYS   6  -8.998  -1.691   2.831
   39    HG2  LYS   6           2HG      LYS   6  -9.510  -2.078   5.236
   40    HG3  LYS   6           1HG      LYS   6  -8.252  -0.921   5.668
   41    HD2  LYS   6           2HD      LYS   6  -9.493   0.755   4.175
   42    HD3  LYS   6           1HD      LYS   6 -10.831  -0.396   4.183
   43    HE2  LYS   6           2HE      LYS   6 -10.777  -0.344   6.693
   44    HE3  LYS   6           1HE      LYS   6  -9.571   0.939   6.596
   45    HZ1  LYS   6           3HZ      LYS   6 -12.349   1.012   5.556
   46    HZ2  LYS   6           1HZ      LYS   6 -11.189   2.208   5.238
   47    HZ3  LYS   6           2HZ      LYS   6 -11.707   1.931   6.832
   48    H    VAL   7           H        VAL   7  -7.225  -4.784   2.349
   49    HA   VAL   7           HA       VAL   7  -4.909  -4.092   0.801
   50    HB   VAL   7           HB       VAL   7  -6.891  -6.314   0.291
   51   HG11  VAL   7          1HG1      VAL   7  -5.289  -5.853  -1.530
   52   HG12  VAL   7          2HG1      VAL   7  -4.934  -7.395  -0.751
   53   HG13  VAL   7          3HG1      VAL   7  -3.953  -5.975  -0.386
   54   HG21  VAL   7          3HG2      VAL   7  -4.545  -6.093   2.187
   55   HG22  VAL   7          1HG2      VAL   7  -5.144  -7.651   1.618
   56   HG23  VAL   7          2HG2      VAL   7  -6.196  -6.590   2.557
   57    H    TYR   8           H        TYR   8  -4.774  -3.132  -1.124
   58    HA   TYR   8           HA       TYR   8  -7.295  -2.526  -2.547
   59    HB2  TYR   8           2HB      TYR   8  -4.833  -0.934  -2.020
   60    HB3  TYR   8           1HB      TYR   8  -5.633  -0.704  -3.576
   61    HD1  TYR   8           1HD      TYR   8  -6.734  -1.244  -0.021
   62    HD2  TYR   8           2HD      TYR   8  -7.130   1.073  -3.617
   63    HE1  TYR   8           1HE      TYR   8  -8.465   0.156   1.072
   64    HE2  TYR   8           2HE      TYR   8  -8.861   2.473  -2.523
   65    HH   TYR   8           HH       TYR   8  -9.623   2.110   0.903
   66    H    GLU   9           H        GLU   9  -7.189  -4.527  -3.701
   67    HA   GLU   9           HA       GLU   9  -4.956  -5.229  -5.335
   68    HB2  GLU   9           2HB      GLU   9  -7.860  -6.059  -5.555
   69    HB3  GLU   9           1HB      GLU   9  -6.502  -6.837  -6.370
   70    HG2  GLU   9           2HG      GLU   9  -6.755  -6.553  -3.363
   71    HG3  GLU   9           1HG      GLU   9  -7.179  -8.007  -4.263
   72    H    ASN  10           H        ASN  10  -5.014  -5.316  -7.705
   73    HA   ASN  10           HA       ASN  10  -5.334  -4.392  -9.793
   74    HB2  ASN  10           2HB      ASN  10  -7.554  -2.659  -8.766
   75    HB3  ASN  10           1HB      ASN  10  -7.378  -3.428 -10.341
   76   HD21  ASN  10          1HD2      ASN  10  -9.804  -3.807  -9.047
   77   HD22  ASN  10          2HD2      ASN  10  -9.911  -5.392  -8.454
   78    H    TYR  11           H        TYR  11  -4.429  -2.857  -7.029
   79    HA   TYR  11           HA       TYR  11  -3.885  -0.329  -8.448
   80    HB2  TYR  11           2HB      TYR  11  -4.417  -0.985  -5.594
   81    HB3  TYR  11           1HB      TYR  11  -3.321   0.355  -5.939
   82    HD1  TYR  11           1HD      TYR  11  -6.768  -0.899  -6.271
   83    HD2  TYR  11           2HD      TYR  11  -4.098   2.360  -7.112
   84    HE1  TYR  11           1HE      TYR  11  -8.707   0.554  -6.803
   85    HE2  TYR  11           2HE      TYR  11  -6.037   3.812  -7.643
   86    HH   TYR  11           HH       TYR  11  -8.488   3.378  -8.462
   87    HA   PRO  12           HA       PRO  12   0.201  -2.306  -6.290
   88    HB2  PRO  12           2HB      PRO  12  -0.089  -4.557  -8.260
   89    HB3  PRO  12           1HB      PRO  12   0.638  -4.575  -6.644
   90    HG2  PRO  12           2HG      PRO  12  -1.781  -5.617  -7.083
   91    HG3  PRO  12           1HG      PRO  12  -1.402  -4.758  -5.580
   92    HD2  PRO  12           2HD      PRO  12  -3.087  -3.859  -7.864
   93    HD3  PRO  12           1HD      PRO  12  -3.159  -3.379  -6.152
   94    H    VAL  13           H        VAL  13   1.757  -1.056  -7.249
   95    HA   VAL  13           HA       VAL  13   1.991  -1.142 -10.197
   96    HB   VAL  13           HB       VAL  13   2.402   1.355  -8.560
   97   HG11  VAL  13          1HG1      VAL  13   1.732   1.077 -11.489
   98   HG12  VAL  13          2HG1      VAL  13   3.397   1.018 -10.910
   99   HG13  VAL  13          3HG1      VAL  13   2.423   2.467 -10.653
  100   HG21  VAL  13          3HG2      VAL  13   0.135   1.151  -8.219
  101   HG22  VAL  13          1HG2      VAL  13  -0.092   0.123  -9.634
  102   HG23  VAL  13          2HG2      VAL  13   0.099   1.866  -9.832
  103    H    SER  14           H        SER  14   4.031  -1.223 -11.006
  104    HA   SER  14           HA       SER  14   6.188  -2.087  -9.480
  105    HB2  SER  14           2HB      SER  14   7.572  -1.592 -11.405
  106    HB3  SER  14           1HB      SER  14   6.020  -2.193 -11.980
  107    HG   SER  14           HG       SER  14   5.394   0.005 -12.259
  108    H    LYS  15           H        LYS  15   4.982   1.119 -10.113
  109    HA   LYS  15           HA       LYS  15   7.242   2.618  -9.283
  110    HB2  LYS  15           2HB      LYS  15   4.290   3.298  -9.234
  111    HB3  LYS  15           1HB      LYS  15   5.589   4.455  -8.944
  112    HG2  LYS  15           2HG      LYS  15   6.530   3.880 -11.196
  113    HG3  LYS  15           1HG      LYS  15   5.112   2.871 -11.483
  114    HD2  LYS  15           2HD      LYS  15   3.667   4.880 -11.082
  115    HD3  LYS  15           1HD      LYS  15   5.130   5.859 -10.970
  116    HE2  LYS  15           2HE      LYS  15   4.289   6.025 -13.237
  117    HE3  LYS  15           1HE      LYS  15   5.760   5.054 -13.268
  118    HZ1  LYS  15           3HZ      LYS  15   4.594   3.125 -13.613
  119    HZ2  LYS  15           1HZ      LYS  15   3.646   4.229 -14.486
  120    HZ3  LYS  15           2HZ      LYS  15   3.157   3.729 -12.937
  121    H    CYS  16           H        CYS  16   4.758   0.888  -7.579
  122    HA   CYS  16           HA       CYS  16   4.959   2.203  -5.072
  123    HB2  CYS  16           2HB      CYS  16   4.158  -0.654  -5.694
  124    HB3  CYS  16           1HB      CYS  16   3.872   0.186  -4.170
  125    H    GLN  17           H        GLN  17   6.971  -0.074  -6.717
  126    HA   GLN  17           HA       GLN  17   8.286  -1.462  -4.764
  127    HB2  GLN  17           2HB      GLN  17  10.228  -1.475  -6.193
  128    HB3  GLN  17           1HB      GLN  17   8.803  -1.493  -7.232
  129    HG2  GLN  17           2HG      GLN  17   9.011   1.068  -7.280
  130    HG3  GLN  17           1HG      GLN  17  10.622   0.833  -6.604
  131   HE21  GLN  17          1HE2      GLN  17  10.899   1.958  -8.962
  132   HE22  GLN  17          2HE2      GLN  17  11.227   0.857 -10.211
  133    H    LEU  18           H        LEU  18   8.061   1.920  -5.089
  134    HA   LEU  18           HA       LEU  18  10.354   2.396  -3.306
  135    HB2  LEU  18           2HB      LEU  18   8.588   4.392  -4.745
  136    HB3  LEU  18           1HB      LEU  18  10.066   4.753  -3.855
  137    HG   LEU  18           HG       LEU  18   9.895   2.967  -6.299
  138   HD11  LEU  18          1HD1      LEU  18  10.804   5.825  -5.893
  139   HD12  LEU  18          2HD1      LEU  18   9.577   5.231  -7.011
  140   HD13  LEU  18          3HD1      LEU  18  11.278   4.868  -7.295
  141   HD21  LEU  18          3HD2      LEU  18  12.101   3.773  -4.418
  142   HD22  LEU  18          1HD2      LEU  18  12.475   3.419  -6.104
  143   HD23  LEU  18          2HD2      LEU  18  11.740   2.182  -5.084
  144    H    ALA  19           H        ALA  19   9.778   2.044  -1.233
  145    HA   ALA  19           HA       ALA  19   7.308   2.096  -0.057
  146    HB1  ALA  19           1HB      ALA  19   9.398   1.402   1.085
  147    HB2  ALA  19           2HB      ALA  19   8.431   2.500   2.068
  148    HB3  ALA  19           3HB      ALA  19   9.860   3.097   1.226
  149    H    ASN  20           H        ASN  20   9.048   4.761  -1.314
  150    HA   ASN  20           HA       ASN  20   7.748   6.788   0.285
  151    HB2  ASN  20           2HB      ASN  20   9.384   6.952  -2.257
  152    HB3  ASN  20           1HB      ASN  20   8.780   8.351  -1.372
  153   HD21  ASN  20          1HD2      ASN  20  11.628   7.104  -1.816
  154   HD22  ASN  20          2HD2      ASN  20  12.279   7.091  -0.248
  155    H    GLN  21           H        GLN  21   7.515   5.643  -3.076
  156    HA   GLN  21           HA       GLN  21   5.383   7.293  -3.882
  157    HB2  GLN  21           2HB      GLN  21   6.251   4.545  -4.803
  158    HB3  GLN  21           1HB      GLN  21   4.993   5.488  -5.604
  159    HG2  GLN  21           2HG      GLN  21   7.781   6.553  -5.104
  160    HG3  GLN  21           1HG      GLN  21   7.320   5.732  -6.595
  161   HE21  GLN  21          1HE2      GLN  21   8.096   8.602  -6.253
  162   HE22  GLN  21          2HE2      GLN  21   6.771   9.503  -6.815
  163    H    CYS  22           H        CYS  22   5.462   4.139  -2.306
  164    HA   CYS  22           HA       CYS  22   2.823   3.348  -2.524
  165    HB2  CYS  22           2HB      CYS  22   4.720   3.003  -0.195
  166    HB3  CYS  22           1HB      CYS  22   3.200   2.130  -0.383
  167    H    ASN  23           H        ASN  23   4.193   5.088   0.287
  168    HA   ASN  23           HA       ASN  23   1.651   5.534   1.472
  169    HB2  ASN  23           2HB      ASN  23   2.797   6.736   3.136
  170    HB3  ASN  23           1HB      ASN  23   3.947   5.513   2.601
  171   HD21  ASN  23          1HD2      ASN  23   4.145   8.502   3.636
  172   HD22  ASN  23          2HD2      ASN  23   5.261   9.182   2.553
  173    H    TYR  24           H        TYR  24   3.786   7.637  -0.448
  174    HA   TYR  24           HA       TYR  24   2.227   9.980  -0.228
  175    HB2  TYR  24           2HB      TYR  24   4.398   9.009  -1.994
  176    HB3  TYR  24           1HB      TYR  24   3.389  10.307  -2.635
  177    HD1  TYR  24           2HD      TYR  24   3.296  12.496  -1.549
  178    HD2  TYR  24           1HD      TYR  24   5.774   9.347  -0.001
  179    HE1  TYR  24           2HE      TYR  24   4.488  14.137  -0.121
  180    HE2  TYR  24           1HE      TYR  24   6.966  10.990   1.427
  181    HH   TYR  24           HH       TYR  24   7.077  14.072   0.984
  182    H    ASP  25           H        ASP  25   2.380   7.584  -2.869
  183    HA   ASP  25           HA       ASP  25   0.291   8.700  -4.403
  184    HB2  ASP  25           2HB      ASP  25   1.255   5.837  -4.276
  185    HB3  ASP  25           1HB      ASP  25   0.250   6.522  -5.552
  186    H    CYS  26           H        CYS  26   0.277   6.120  -1.950
  187    HA   CYS  26           HA       CYS  26  -2.433   5.405  -2.203
  188    HB2  CYS  26           2HB      CYS  26  -0.504   5.262   0.116
  189    HB3  CYS  26           1HB      CYS  26  -2.148   4.633   0.212
  190    H    LYS  27           H        LYS  27  -0.839   7.823  -0.142
  191    HA   LYS  27           HA       LYS  27  -3.058   8.680   1.321
  192    HB2  LYS  27           2HB      LYS  27  -0.553  10.065   0.389
  193    HB3  LYS  27           1HB      LYS  27  -1.785  10.935   1.304
  194    HG2  LYS  27           2HG      LYS  27  -1.507   9.581   3.207
  195    HG3  LYS  27           1HG      LYS  27  -0.729   8.292   2.290
  196    HD2  LYS  27           2HD      LYS  27   0.959   9.481   3.591
  197    HD3  LYS  27           1HD      LYS  27   1.210   9.811   1.875
  198    HE2  LYS  27           2HE      LYS  27   0.226  11.976   2.044
  199    HE3  LYS  27           1HE      LYS  27  -0.432  11.631   3.644
  200    HZ1  LYS  27           3HZ      LYS  27   2.439  11.339   3.388
  201    HZ2  LYS  27           1HZ      LYS  27   1.525  12.039   4.634
  202    HZ3  LYS  27           2HZ      LYS  27   1.860  12.928   3.224
  203    H    LEU  28           H        LEU  28  -1.855   9.729  -1.841
  204    HA   LEU  28           HA       LEU  28  -3.840  11.728  -2.271
  205    HB2  LEU  28           2HB      LEU  28  -2.099  10.219  -4.238
  206    HB3  LEU  28           1HB      LEU  28  -3.057  11.651  -4.616
  207    HG   LEU  28           HG       LEU  28  -0.920  11.570  -2.468
  208   HD11  LEU  28          1HD1      LEU  28   0.012  11.244  -4.758
  209   HD12  LEU  28          2HD1      LEU  28   0.489  12.789  -4.055
  210   HD13  LEU  28          3HD1      LEU  28  -0.789  12.729  -5.270
  211   HD21  LEU  28          3HD2      LEU  28  -2.765  13.652  -3.602
  212   HD22  LEU  28          1HD2      LEU  28  -1.177  14.146  -3.015
  213   HD23  LEU  28          2HD2      LEU  28  -2.316  13.358  -1.923
  214    H    ASP  29           H        ASP  29  -3.506   8.352  -3.338
  215    HA   ASP  29           HA       ASP  29  -6.146   8.488  -4.603
  216    HB2  ASP  29           2HB      ASP  29  -3.959   6.410  -4.667
  217    HB3  ASP  29           1HB      ASP  29  -5.516   6.222  -5.472
  218    H    LYS  30           H        LYS  30  -4.445   6.175  -2.452
  219    HA   LYS  30           HA       LYS  30  -6.976   4.951  -1.762
  220    HB2  LYS  30           2HB      LYS  30  -4.143   4.409  -0.866
  221    HB3  LYS  30           1HB      LYS  30  -5.540   3.442  -0.389
  222    HG2  LYS  30           2HG      LYS  30  -6.040   3.017  -2.789
  223    HG3  LYS  30           1HG      LYS  30  -4.595   3.928  -3.230
  224    HD2  LYS  30           2HD      LYS  30  -3.253   2.323  -1.814
  225    HD3  LYS  30           1HD      LYS  30  -4.714   1.350  -1.644
  226    HE2  LYS  30           2HE      LYS  30  -3.578   0.388  -3.487
  227    HE3  LYS  30           1HE      LYS  30  -4.828   1.394  -4.218
  228    HZ1  LYS  30           3HZ      LYS  30  -3.322   2.927  -4.920
  229    HZ2  LYS  30           1HZ      LYS  30  -2.342   1.543  -4.988
  230    HZ3  LYS  30           2HZ      LYS  30  -2.221   2.605  -3.667
  231    H    HIS  31           H        HIS  31  -5.498   7.678  -0.622
  232    HA   HIS  31           HA       HIS  31  -5.776   8.945   1.282
  233    HB2  HIS  31           2HB      HIS  31  -8.094   7.101   1.875
  234    HB3  HIS  31           1HB      HIS  31  -7.889   8.779   2.378
  235    HD2  HIS  31           2HD      HIS  31  -9.206   6.782  -0.679
  236    HE1  HIS  31           1HE      HIS  31  -9.222  10.863  -1.761
  237    HE2  HIS  31           2HE      HIS  31  -9.975   8.538  -2.453
  238    H    ALA  32           H        ALA  32  -4.374   6.160   1.360
  239    HA   ALA  32           HA       ALA  32  -4.663   5.219   4.038
  240    HB1  ALA  32           1HB      ALA  32  -2.131   4.879   2.461
  241    HB2  ALA  32           2HB      ALA  32  -3.602   4.053   1.947
  242    HB3  ALA  32           3HB      ALA  32  -2.929   3.740   3.547
  243    H    ARG  33           H        ARG  33  -3.143   5.462   5.784
  244    HA   ARG  33           HA       ARG  33  -2.211   8.176   6.044
  245    HB2  ARG  33           2HB      ARG  33  -1.928   5.793   7.886
  246    HB3  ARG  33           1HB      ARG  33  -1.485   7.450   8.298
  247    HG2  ARG  33           2HG      ARG  33  -3.899   8.071   7.633
  248    HG3  ARG  33           1HG      ARG  33  -4.233   6.341   7.725
  249    HD2  ARG  33           2HD      ARG  33  -3.128   6.454  10.061
  250    HD3  ARG  33           1HD      ARG  33  -3.343   8.198   9.928
  251    HE   ARG  33           HE       ARG  33  -5.390   6.278  10.482
  252   HH11  ARG  33          1HH2      ARG  33  -4.686   9.245   8.845
  253   HH12  ARG  33          2HH2      ARG  33  -6.309   9.844   8.940
  254   HH21  ARG  33          1HH1      ARG  33  -7.522   7.057  10.609
  255   HH22  ARG  33          2HH1      ARG  33  -7.914   8.605   9.938
  256    H    SER  34           H        SER  34  -0.639   4.983   5.917
  257    HA   SER  34           HA       SER  34   1.891   6.369   5.263
  258    HB2  SER  34           2HB      SER  34   1.337   4.215   7.259
  259    HB3  SER  34           1HB      SER  34   2.906   4.269   6.460
  260    HG   SER  34           HG       SER  34   2.980   6.514   7.125
  261    H    GLY  35           H        GLY  35  -0.431   4.278   4.158
  262    HA2  GLY  35           2HA      GLY  35  -0.434   2.505   2.643
  263    HA3  GLY  35           1HA      GLY  35   0.592   3.630   1.756
  264    H    GLU  36           H        GLU  36   0.437   0.624   3.350
  265    HA   GLU  36           HA       GLU  36   3.378   0.337   3.267
  266    HB2  GLU  36           2HB      GLU  36   1.250  -1.060   4.881
  267    HB3  GLU  36           1HB      GLU  36   2.856  -1.760   4.673
  268    HG2  GLU  36           2HG      GLU  36   2.992  -0.492   6.681
  269    HG3  GLU  36           1HG      GLU  36   3.774   0.505   5.456
  270    H    CYS  37           H        CYS  37   4.191  -0.810   1.644
  271    HA   CYS  37           HA       CYS  37   2.392  -2.598   0.137
  272    HB2  CYS  37           2HB      CYS  37   4.776  -0.950  -0.598
  273    HB3  CYS  37           1HB      CYS  37   4.396  -2.387  -1.545
  274    H    PHE  38           H        PHE  38   2.714  -4.725   0.152
  275    HA   PHE  38           HA       PHE  38   5.304  -5.748   1.151
  276    HB2  PHE  38           2HB      PHE  38   2.572  -7.014   1.475
  277    HB3  PHE  38           1HB      PHE  38   4.097  -7.650   2.093
  278    HD1  PHE  38           1HD      PHE  38   1.579  -4.971   2.431
  279    HD2  PHE  38           2HD      PHE  38   5.193  -6.663   4.017
  280    HE1  PHE  38           1HE      PHE  38   1.335  -3.581   4.471
  281    HE2  PHE  38           2HE      PHE  38   4.950  -5.273   6.056
  282    HZ   PHE  38           HZ       PHE  38   3.021  -3.732   6.283
  283    H    TYR  39           H        TYR  39   5.888  -7.899   0.328
  284    HA   TYR  39           HA       TYR  39   5.163  -8.134  -2.508
  285    HB2  TYR  39           2HB      TYR  39   7.411  -9.367  -0.898
  286    HB3  TYR  39           1HB      TYR  39   7.142  -9.649  -2.618
  287    HD1  TYR  39           1HD      TYR  39   7.546  -6.853  -0.153
  288    HD2  TYR  39           2HD      TYR  39   8.121  -8.215  -4.186
  289    HE1  TYR  39           1HE      TYR  39   8.760  -4.758  -0.687
  290    HE2  TYR  39           2HE      TYR  39   9.336  -6.120  -4.720
  291    HH   TYR  39           HH       TYR  39   9.859  -3.615  -2.232
  292    H    ASP  40           H        ASP  40   3.884  -9.715  -3.231
  293    HA   ASP  40           HA       ASP  40   3.127 -11.860  -1.357
  294    HB2  ASP  40           2HB      ASP  40   1.130 -12.123  -2.685
  295    HB3  ASP  40           1HB      ASP  40   1.330 -10.409  -2.325
  296    H    GLU  41           H        GLU  41   2.184 -13.766  -3.028
  297    HA   GLU  41           HA       GLU  41   4.561 -15.073  -3.896
  298    HB2  GLU  41           2HB      GLU  41   1.646 -15.739  -4.362
  299    HB3  GLU  41           1HB      GLU  41   2.993 -16.808  -4.753
  300    HG2  GLU  41           2HG      GLU  41   2.257 -17.505  -2.602
  301    HG3  GLU  41           1HG      GLU  41   3.707 -16.550  -2.305
  302    H    LYS  42           H        LYS  42   2.099 -13.165  -5.491
  303    HA   LYS  42           HA       LYS  42   2.836 -13.898  -8.167
  304    HB2  LYS  42           2HB      LYS  42   1.346 -11.445  -7.200
  305    HB3  LYS  42           1HB      LYS  42   1.375 -12.074  -8.848
  306    HG2  LYS  42           2HG      LYS  42   0.360 -14.195  -8.020
  307    HG3  LYS  42           1HG      LYS  42   0.247 -13.480  -6.411
  308    HD2  LYS  42           2HD      LYS  42  -1.120 -11.621  -7.399
  309    HD3  LYS  42           1HD      LYS  42  -1.117 -12.494  -8.931
  310    HE2  LYS  42           2HE      LYS  42  -2.317 -13.387  -6.301
  311    HE3  LYS  42           1HE      LYS  42  -3.155 -13.095  -7.825
  312    HZ1  LYS  42           3HZ      LYS  42  -1.411 -15.337  -7.066
  313    HZ2  LYS  42           1HZ      LYS  42  -1.551 -14.904  -8.700
  314    HZ3  LYS  42           2HZ      LYS  42  -2.931 -15.365  -7.824
  315    H    ARG  43           H        ARG  43   4.603 -12.386  -5.920
  316    HA   ARG  43           HA       ARG  43   6.446 -11.020  -5.967
  317    HB2  ARG  43           2HB      ARG  43   6.341 -11.195  -8.977
  318    HB3  ARG  43           1HB      ARG  43   7.754 -10.972  -7.944
  319    HG2  ARG  43           2HG      ARG  43   6.039 -13.465  -8.143
  320    HG3  ARG  43           1HG      ARG  43   7.702 -13.283  -8.702
  321    HD2  ARG  43           2HD      ARG  43   6.661 -13.449  -5.892
  322    HD3  ARG  43           1HD      ARG  43   8.010 -14.308  -6.628
  323    HE   ARG  43           HE       ARG  43   8.069 -11.623  -5.497
  324   HH11  ARG  43          1HH2      ARG  43   9.563 -14.028  -7.488
  325   HH12  ARG  43          2HH2      ARG  43  11.150 -13.344  -7.364
  326   HH21  ARG  43          1HH1      ARG  43  10.148 -10.721  -5.327
  327   HH22  ARG  43          2HH1      ARG  43  11.481 -11.473  -6.140
  328    H    ASN  44           H        ASN  44   3.578 -10.040  -6.469
  329    HA   ASN  44           HA       ASN  44   4.177  -7.448  -7.728
  330    HB2  ASN  44           2HB      ASN  44   1.985  -7.328  -8.326
  331    HB3  ASN  44           1HB      ASN  44   2.040  -9.076  -8.098
  332   HD21  ASN  44          1HD2      ASN  44  -0.106  -6.840  -7.532
  333   HD22  ASN  44          2HD2      ASN  44  -0.627  -7.220  -5.962
  334    H    LEU  45           H        LEU  45   3.510  -5.489  -6.666
  335    HA   LEU  45           HA       LEU  45   4.028  -5.594  -3.804
  336    HB2  LEU  45           2HB      LEU  45   3.499  -3.169  -5.535
  337    HB3  LEU  45           1HB      LEU  45   4.252  -3.200  -3.940
  338    HG   LEU  45           HG       LEU  45   5.388  -4.604  -6.372
  339   HD11  LEU  45          1HD1      LEU  45   5.496  -2.227  -6.780
  340   HD12  LEU  45          2HD1      LEU  45   7.100  -2.750  -6.266
  341   HD13  LEU  45          3HD1      LEU  45   6.037  -1.919  -5.130
  342   HD21  LEU  45          3HD2      LEU  45   6.239  -5.671  -4.450
  343   HD22  LEU  45          1HD2      LEU  45   6.282  -4.171  -3.525
  344   HD23  LEU  45          2HD2      LEU  45   7.463  -4.452  -4.805
  345    H    GLN  46           H        GLN  46   2.301  -6.198  -2.621
  346    HA   GLN  46           HA       GLN  46  -0.389  -5.402  -3.316
  347    HB2  GLN  46           2HB      GLN  46   0.786  -6.910  -0.974
  348    HB3  GLN  46           1HB      GLN  46  -0.935  -6.545  -1.120
  349    HG2  GLN  46           2HG      GLN  46   0.666  -8.003  -3.239
  350    HG3  GLN  46           1HG      GLN  46  -0.299  -8.813  -2.007
  351   HE21  GLN  46          1HE2      GLN  46  -0.699  -8.708  -5.014
  352   HE22  GLN  46          2HE2      GLN  46  -2.276  -8.111  -5.218
  353    H    CYS  47           H        CYS  47  -1.043  -3.381  -2.961
  354    HA   CYS  47           HA       CYS  47   0.147  -1.731  -0.899
  355    HB2  CYS  47           2HB      CYS  47  -2.061  -1.245  -2.906
  356    HB3  CYS  47           1HB      CYS  47  -1.512  -0.033  -1.748
  357    H    ILE  48           H        ILE  48  -0.434  -2.165   1.149
  358    HA   ILE  48           HA       ILE  48  -3.271  -2.731   1.723
  359    HB   ILE  48           HB       ILE  48  -0.862  -3.133   3.511
  360   HG12  ILE  48          2HG1      ILE  48  -2.435  -5.141   1.864
  361   HG13  ILE  48          1HG1      ILE  48  -0.806  -4.576   1.485
  362   HG21  ILE  48          1HG2      ILE  48  -3.726  -4.121   3.697
  363   HG22  ILE  48          2HG2      ILE  48  -3.027  -2.834   4.679
  364   HG23  ILE  48          3HG2      ILE  48  -2.431  -4.487   4.838
  365   HD11  ILE  48          3HD1      ILE  48  -0.203  -5.354   3.884
  366   HD12  ILE  48          1HD1      ILE  48  -0.434  -6.594   2.651
  367   HD13  ILE  48          2HD1      ILE  48  -1.715  -6.260   3.817
  368    H    CYS  49           H        CYS  49  -4.268  -0.803   1.994
  369    HA   CYS  49           HA       CYS  49  -3.061   1.505   3.128
  370    HB2  CYS  49           2HB      CYS  49  -6.022   1.042   3.181
  371    HB3  CYS  49           1HB      CYS  49  -5.134   2.532   2.868
  372    H    ASP  50           H        ASP  50  -2.673   1.993   5.188
  373    HA   ASP  50           HA       ASP  50  -3.984   0.378   7.285
  374    HB2  ASP  50           2HB      ASP  50  -2.089   0.787   8.669
  375    HB3  ASP  50           1HB      ASP  50  -1.453   0.360   7.080
  376    H    TYR  51           H        TYR  51  -5.110   1.339   8.915
  377    HA   TYR  51           HA       TYR  51  -5.346   4.286   8.802
  378    HB2  TYR  51           2HB      TYR  51  -7.328   2.182   9.700
  379    HB3  TYR  51           1HB      TYR  51  -7.533   3.903  10.020
  380    HD1  TYR  51           1HD      TYR  51  -6.667   1.647   7.149
  381    HD2  TYR  51           2HD      TYR  51  -8.779   5.135   8.494
  382    HE1  TYR  51           1HE      TYR  51  -7.604   1.956   4.874
  383    HE2  TYR  51           2HE      TYR  51  -9.716   5.447   6.220
  384    HH   TYR  51           HH       TYR  51  -9.456   3.025   3.783
  385    H    CYS  52           H        CYS  52  -3.716   4.848  10.214
  386    HA   CYS  52           HA       CYS  52  -2.949   5.442  12.309
  387    HB2  CYS  52           2HB      CYS  52  -5.004   3.673  13.595
  388    HB3  CYS  52           1HB      CYS  52  -4.311   5.184  14.185
  389    H    GLU  53           H        GLU  53  -4.164   2.118  12.810
  390    HA   GLU  53           HA       GLU  53  -1.761   1.306  14.126
  391    HB2  GLU  53           2HB      GLU  53  -4.080  -0.301  13.032
  392    HB3  GLU  53           1HB      GLU  53  -2.777  -0.970  14.016
  393    HG2  GLU  53           2HG      GLU  53  -4.493  -0.482  15.574
  394    HG3  GLU  53           1HG      GLU  53  -3.367   0.866  15.726
  395    H    TYR  54           H        TYR  54   0.091   0.659  13.259
  396    HA   TYR  54           HA       TYR  54   0.352   0.340  10.401
  397    HB2  TYR  54           2HB      TYR  54   2.336   0.048  12.668
  398    HB3  TYR  54           1HB      TYR  54   2.755  -0.091  10.960
  399    HD1  TYR  54           1HD      TYR  54   1.675   2.195  13.636
  400    HD2  TYR  54           2HD      TYR  54   2.693   1.852   9.477
  401    HE1  TYR  54           1HE      TYR  54   1.836   4.665  13.472
  402    HE2  TYR  54           2HE      TYR  54   2.854   4.321   9.313
  403    HH   TYR  54           HH       TYR  54   1.559   6.386  11.361
  Start of MODEL   14
    1    H1   ASP   2           H        ASP   2  -9.320  -1.248  15.348
    2    HA   ASP   2           HA       ASP   2  -8.450  -3.313  14.808
    3    HB2  ASP   2           2HB      ASP   2 -10.037  -5.169  14.587
    4    HB3  ASP   2           1HB      ASP   2 -10.483  -4.125  15.936
    5    H    LYS   3           H        LYS   3  -7.975  -4.723  13.015
    6    HA   LYS   3           HA       LYS   3  -7.497  -5.087  10.797
    7    HB2  LYS   3           2HB      LYS   3 -10.336  -4.078  10.477
    8    HB3  LYS   3           1HB      LYS   3  -9.408  -4.916   9.233
    9    HG2  LYS   3           2HG      LYS   3  -9.157  -6.858  10.789
   10    HG3  LYS   3           1HG      LYS   3 -10.207  -6.028  11.939
   11    HD2  LYS   3           2HD      LYS   3 -11.986  -5.939  10.184
   12    HD3  LYS   3           1HD      LYS   3 -10.944  -6.893   9.127
   13    HE2  LYS   3           2HE      LYS   3 -10.845  -8.613  11.022
   14    HE3  LYS   3           1HE      LYS   3 -12.178  -7.722  11.759
   15    HZ1  LYS   3           3HZ      LYS   3 -12.764  -9.649  10.240
   16    HZ2  LYS   3           1HZ      LYS   3 -12.289  -8.650   8.954
   17    HZ3  LYS   3           2HZ      LYS   3 -13.572  -8.181   9.966
   18    H    CYS   4           H        CYS   4  -6.478  -2.724  11.774
   19    HA   CYS   4           HA       CYS   4  -7.129  -0.387  10.373
   20    HB2  CYS   4           2HB      CYS   4  -4.318  -1.127  11.169
   21    HB3  CYS   4           1HB      CYS   4  -5.056   0.474  11.117
   22    H    LYS   5           H        LYS   5  -5.263  -3.193   9.438
   23    HA   LYS   5           HA       LYS   5  -4.281  -1.892   7.013
   24    HB2  LYS   5           2HB      LYS   5  -3.924  -4.730   8.000
   25    HB3  LYS   5           1HB      LYS   5  -3.104  -4.008   6.617
   26    HG2  LYS   5           2HG      LYS   5  -2.928  -2.643   9.281
   27    HG3  LYS   5           1HG      LYS   5  -1.921  -4.058   8.976
   28    HD2  LYS   5           2HD      LYS   5  -2.018  -1.917   6.888
   29    HD3  LYS   5           1HD      LYS   5  -1.067  -1.623   8.346
   30    HE2  LYS   5           2HE      LYS   5  -0.792  -4.130   6.672
   31    HE3  LYS   5           1HE      LYS   5   0.214  -2.701   6.440
   32    HZ1  LYS   5           3HZ      LYS   5   1.348  -4.190   7.889
   33    HZ2  LYS   5           1HZ      LYS   5  -0.009  -4.356   8.892
   34    HZ3  LYS   5           2HZ      LYS   5   0.819  -2.873   8.823
   35    H    LYS   6           H        LYS   6  -5.259  -2.012   5.101
   36    HA   LYS   6           HA       LYS   6  -7.109  -4.242   4.571
   37    HB2  LYS   6           2HB      LYS   6  -7.673  -1.304   4.080
   38    HB3  LYS   6           1HB      LYS   6  -8.639  -2.625   3.423
   39    HG2  LYS   6           2HG      LYS   6  -8.874  -3.451   5.841
   40    HG3  LYS   6           1HG      LYS   6  -8.248  -1.874   6.324
   41    HD2  LYS   6           2HD      LYS   6 -10.659  -2.274   4.529
   42    HD3  LYS   6           1HD      LYS   6 -10.752  -1.964   6.264
   43    HE2  LYS   6           2HE      LYS   6  -9.324   0.120   5.806
   44    HE3  LYS   6           1HE      LYS   6  -9.692  -0.140   4.100
   45    HZ1  LYS   6           3HZ      LYS   6 -11.672   0.230   6.281
   46    HZ2  LYS   6           1HZ      LYS   6 -12.055  -0.085   4.659
   47    HZ3  LYS   6           2HZ      LYS   6 -11.279   1.366   5.081
   48    H    VAL   7           H        VAL   7  -6.934  -5.076   2.556
   49    HA   VAL   7           HA       VAL   7  -4.700  -4.222   0.944
   50    HB   VAL   7           HB       VAL   7  -6.756  -6.340   0.303
   51   HG11  VAL   7          1HG1      VAL   7  -4.942  -7.280  -1.046
   52   HG12  VAL   7          2HG1      VAL   7  -3.856  -5.994  -0.518
   53   HG13  VAL   7          3HG1      VAL   7  -5.244  -5.614  -1.538
   54   HG21  VAL   7          3HG2      VAL   7  -5.891  -6.891   2.470
   55   HG22  VAL   7          1HG2      VAL   7  -4.256  -6.419   2.010
   56   HG23  VAL   7          2HG2      VAL   7  -4.983  -7.871   1.319
   57    H    TYR   8           H        TYR   8  -4.706  -3.074  -0.889
   58    HA   TYR   8           HA       TYR   8  -7.321  -2.374  -2.082
   59    HB2  TYR   8           2HB      TYR   8  -5.041  -0.648  -1.255
   60    HB3  TYR   8           1HB      TYR   8  -5.868  -0.231  -2.758
   61    HD1  TYR   8           2HD      TYR   8  -8.226   0.424  -2.767
   62    HD2  TYR   8           1HD      TYR   8  -6.209  -0.577   0.891
   63    HE1  TYR   8           2HE      TYR   8 -10.091   1.415  -1.466
   64    HE2  TYR   8           1HE      TYR   8  -8.074   0.413   2.191
   65    HH   TYR   8           HH       TYR   8  -9.928   2.348   1.560
   66    H    GLU   9           H        GLU   9  -6.885  -4.232  -3.484
   67    HA   GLU   9           HA       GLU   9  -4.656  -4.320  -5.239
   68    HB2  GLU   9           2HB      GLU   9  -7.422  -5.475  -5.658
   69    HB3  GLU   9           1HB      GLU   9  -5.943  -5.965  -6.486
   70    HG2  GLU   9           2HG      GLU   9  -6.080  -7.562  -4.789
   71    HG3  GLU   9           1HG      GLU   9  -5.032  -6.348  -4.056
   72    H    ASN  10           H        ASN  10  -5.257  -4.391  -7.743
   73    HA   ASN  10           HA       ASN  10  -5.883  -3.219  -9.632
   74    HB2  ASN  10           2HB      ASN  10  -7.547  -1.337  -7.994
   75    HB3  ASN  10           1HB      ASN  10  -7.816  -1.924  -9.633
   76   HD21  ASN  10          1HD2      ASN  10  -9.973  -2.148  -7.934
   77   HD22  ASN  10          2HD2      ASN  10 -10.196  -3.761  -7.457
   78    H    TYR  11           H        TYR  11  -3.976  -2.306  -7.248
   79    HA   TYR  11           HA       TYR  11  -3.097   0.059  -8.721
   80    HB2  TYR  11           2HB      TYR  11  -3.926   0.085  -5.829
   81    HB3  TYR  11           1HB      TYR  11  -2.796   1.273  -6.482
   82    HD1  TYR  11           2HD      TYR  11  -3.510   2.920  -8.149
   83    HD2  TYR  11           1HD      TYR  11  -6.262   0.026  -6.564
   84    HE1  TYR  11           2HE      TYR  11  -5.409   4.213  -9.083
   85    HE2  TYR  11           1HE      TYR  11  -8.159   1.319  -7.500
   86    HH   TYR  11           HH       TYR  11  -7.919   4.461  -8.516
   87    HA   PRO  12           HA       PRO  12   0.429  -2.301  -6.621
   88    HB2  PRO  12           2HB      PRO  12   0.462  -4.501  -8.509
   89    HB3  PRO  12           1HB      PRO  12   0.205  -4.573  -6.757
   90    HG2  PRO  12           2HG      PRO  12  -1.725  -5.201  -8.549
   91    HG3  PRO  12           1HG      PRO  12  -2.074  -4.511  -6.954
   92    HD2  PRO  12           2HD      PRO  12  -1.906  -3.061  -9.607
   93    HD3  PRO  12           1HD      PRO  12  -3.180  -2.964  -8.370
   94    H    VAL  13           H        VAL  13   2.116  -1.075  -7.375
   95    HA   VAL  13           HA       VAL  13   2.758  -1.218 -10.257
   96    HB   VAL  13           HB       VAL  13   2.937   1.318  -8.637
   97   HG11  VAL  13          1HG1      VAL  13   4.290   0.934 -10.785
   98   HG12  VAL  13          2HG1      VAL  13   3.277   2.377 -10.737
   99   HG13  VAL  13          3HG1      VAL  13   2.742   0.952 -11.629
  100   HG21  VAL  13          3HG2      VAL  13   0.589   0.660  -8.710
  101   HG22  VAL  13          1HG2      VAL  13   0.701   0.347 -10.441
  102   HG23  VAL  13          2HG2      VAL  13   0.850   1.995  -9.831
  103    H    SER  14           H        SER  14   4.903  -1.272 -10.770
  104    HA   SER  14           HA       SER  14   6.807  -2.142  -8.940
  105    HB2  SER  14           2HB      SER  14   7.333  -0.544 -11.460
  106    HB3  SER  14           1HB      SER  14   8.476  -1.597 -10.631
  107    HG   SER  14           HG       SER  14   6.125  -2.852 -11.144
  108    H    LYS  15           H        LYS  15   5.811   1.091  -9.849
  109    HA   LYS  15           HA       LYS  15   7.883   2.594  -8.700
  110    HB2  LYS  15           2HB      LYS  15   4.935   3.232  -8.984
  111    HB3  LYS  15           1HB      LYS  15   6.170   4.407  -8.531
  112    HG2  LYS  15           2HG      LYS  15   7.380   3.874 -10.662
  113    HG3  LYS  15           1HG      LYS  15   6.024   2.845 -11.124
  114    HD2  LYS  15           2HD      LYS  15   4.505   4.818 -10.892
  115    HD3  LYS  15           1HD      LYS  15   5.917   5.825 -10.569
  116    HE2  LYS  15           2HE      LYS  15   5.428   4.216 -13.094
  117    HE3  LYS  15           1HE      LYS  15   5.290   5.966 -12.943
  118    HZ1  LYS  15           3HZ      LYS  15   7.428   6.006 -13.507
  119    HZ2  LYS  15           1HZ      LYS  15   7.630   4.342 -13.248
  120    HZ3  LYS  15           2HZ      LYS  15   7.757   5.426 -11.945
  121    H    CYS  16           H        CYS  16   5.211   0.865  -7.290
  122    HA   CYS  16           HA       CYS  16   5.157   2.146  -4.762
  123    HB2  CYS  16           2HB      CYS  16   4.449  -0.727  -5.413
  124    HB3  CYS  16           1HB      CYS  16   3.922   0.195  -4.005
  125    H    GLN  17           H        GLN  17   7.285  -0.188  -6.197
  126    HA   GLN  17           HA       GLN  17   8.390  -1.565  -4.116
  127    HB2  GLN  17           2HB      GLN  17  10.435  -1.664  -5.361
  128    HB3  GLN  17           1HB      GLN  17   9.127  -1.597  -6.543
  129    HG2  GLN  17           2HG      GLN  17   9.463   0.948  -6.529
  130    HG3  GLN  17           1HG      GLN  17  10.979   0.628  -5.686
  131   HE21  GLN  17          1HE2      GLN  17  12.486   1.080  -7.352
  132   HE22  GLN  17          2HE2      GLN  17  12.508   0.266  -8.842
  133    H    LEU  18           H        LEU  18   8.288   1.823  -4.526
  134    HA   LEU  18           HA       LEU  18  10.412   2.285  -2.544
  135    HB2  LEU  18           2HB      LEU  18   8.813   4.268  -4.186
  136    HB3  LEU  18           1HB      LEU  18  10.179   4.651  -3.138
  137    HG   LEU  18           HG       LEU  18  10.292   2.819  -5.553
  138   HD11  LEU  18          1HD1      LEU  18  11.301   5.648  -5.115
  139   HD12  LEU  18          2HD1      LEU  18  10.008   5.160  -6.211
  140   HD13  LEU  18          3HD1      LEU  18  11.669   4.655  -6.525
  141   HD21  LEU  18          3HD2      LEU  18  12.251   3.645  -3.428
  142   HD22  LEU  18          1HD2      LEU  18  12.837   3.311  -5.058
  143   HD23  LEU  18          2HD2      LEU  18  11.995   2.055  -4.147
  144    H    ALA  19           H        ALA  19   9.638   1.940  -0.531
  145    HA   ALA  19           HA       ALA  19   7.083   2.077   0.432
  146    HB1  ALA  19           1HB      ALA  19   9.020   1.328   1.765
  147    HB2  ALA  19           2HB      ALA  19   8.042   2.504   2.643
  148    HB3  ALA  19           3HB      ALA  19   9.563   3.001   1.901
  149    H    ASN  20           H        ASN  20   8.961   4.671  -0.742
  150    HA   ASN  20           HA       ASN  20   7.609   6.756   0.741
  151    HB2  ASN  20           2HB      ASN  20   9.429   6.839  -1.677
  152    HB3  ASN  20           1HB      ASN  20   8.800   8.268  -0.859
  153   HD21  ASN  20          1HD2      ASN  20  11.637   6.929  -1.076
  154   HD22  ASN  20          2HD2      ASN  20  12.173   6.931   0.534
  155    H    GLN  21           H        GLN  21   7.564   5.517  -2.591
  156    HA   GLN  21           HA       GLN  21   5.535   7.219  -3.571
  157    HB2  GLN  21           2HB      GLN  21   6.421   4.448  -4.406
  158    HB3  GLN  21           1HB      GLN  21   5.239   5.403  -5.300
  159    HG2  GLN  21           2HG      GLN  21   8.006   6.418  -4.618
  160    HG3  GLN  21           1HG      GLN  21   7.623   5.606  -6.136
  161   HE21  GLN  21          1HE2      GLN  21   8.372   8.522  -5.538
  162   HE22  GLN  21          2HE2      GLN  21   7.133   9.423  -6.269
  163    H    CYS  22           H        CYS  22   5.453   4.083  -1.961
  164    HA   CYS  22           HA       CYS  22   2.815   3.342  -2.353
  165    HB2  CYS  22           2HB      CYS  22   4.574   2.957   0.076
  166    HB3  CYS  22           1HB      CYS  22   3.033   2.135  -0.174
  167    H    ASN  23           H        ASN  23   4.057   5.097   0.507
  168    HA   ASN  23           HA       ASN  23   1.465   5.583   1.561
  169    HB2  ASN  23           2HB      ASN  23   2.542   6.809   3.257
  170    HB3  ASN  23           1HB      ASN  23   3.695   5.556   2.808
  171   HD21  ASN  23          1HD2      ASN  23   3.891   8.566   3.785
  172   HD22  ASN  23          2HD2      ASN  23   5.074   9.201   2.748
  173    H    TYR  24           H        TYR  24   3.702   7.616  -0.312
  174    HA   TYR  24           HA       TYR  24   2.140   9.977  -0.204
  175    HB2  TYR  24           2HB      TYR  24   4.422   8.984  -1.805
  176    HB3  TYR  24           1HB      TYR  24   3.456  10.265  -2.539
  177    HD1  TYR  24           2HD      TYR  24   3.286  12.475  -1.507
  178    HD2  TYR  24           1HD      TYR  24   5.659   9.366   0.271
  179    HE1  TYR  24           2HE      TYR  24   4.375  14.148  -0.034
  180    HE2  TYR  24           1HE      TYR  24   6.748  11.040   1.743
  181    HH   TYR  24           HH       TYR  24   6.218  13.296   2.667
  182    H    ASP  25           H        ASP  25   2.416   7.475  -2.729
  183    HA   ASP  25           HA       ASP  25   0.461   8.576  -4.449
  184    HB2  ASP  25           2HB      ASP  25   1.376   5.710  -4.154
  185    HB3  ASP  25           1HB      ASP  25   0.455   6.350  -5.513
  186    H    CYS  26           H        CYS  26   0.238   5.996  -1.995
  187    HA   CYS  26           HA       CYS  26  -2.457   5.348  -2.364
  188    HB2  CYS  26           2HB      CYS  26  -0.709   5.281   0.099
  189    HB3  CYS  26           1HB      CYS  26  -2.352   4.642   0.074
  190    H    LYS  27           H        LYS  27  -0.972   7.798  -0.255
  191    HA   LYS  27           HA       LYS  27  -3.281   8.760   0.986
  192    HB2  LYS  27           2HB      LYS  27  -0.671  10.048   0.221
  193    HB3  LYS  27           1HB      LYS  27  -1.950  10.984   0.992
  194    HG2  LYS  27           2HG      LYS  27  -1.901   9.653   2.950
  195    HG3  LYS  27           1HG      LYS  27  -1.002   8.364   2.150
  196    HD2  LYS  27           2HD      LYS  27   0.965   9.821   1.964
  197    HD3  LYS  27           1HD      LYS  27   0.072  11.145   2.713
  198    HE2  LYS  27           2HE      LYS  27  -0.209   9.803   4.763
  199    HE3  LYS  27           1HE      LYS  27   0.680   8.476   4.018
  200    HZ1  LYS  27           3HZ      LYS  27   1.658  10.940   5.156
  201    HZ2  LYS  27           1HZ      LYS  27   2.347  10.552   3.656
  202    HZ3  LYS  27           2HZ      LYS  27   2.446   9.450   4.946
  203    H    LEU  28           H        LEU  28  -1.831   9.590  -2.129
  204    HA   LEU  28           HA       LEU  28  -3.711  11.632  -2.802
  205    HB2  LEU  28           2HB      LEU  28  -1.854   9.973  -4.525
  206    HB3  LEU  28           1HB      LEU  28  -2.776  11.365  -5.092
  207    HG   LEU  28           HG       LEU  28  -0.885  11.525  -2.737
  208   HD11  LEU  28          1HD1      LEU  28  -0.377  11.919  -5.692
  209   HD12  LEU  28          2HD1      LEU  28   0.529  10.916  -4.559
  210   HD13  LEU  28          3HD1      LEU  28   0.631  12.674  -4.458
  211   HD21  LEU  28          3HD2      LEU  28  -0.948  13.986  -3.636
  212   HD22  LEU  28          1HD2      LEU  28  -2.316  13.389  -2.696
  213   HD23  LEU  28          2HD2      LEU  28  -2.420  13.467  -4.455
  214    H    ASP  29           H        ASP  29  -3.513   8.159  -3.401
  215    HA   ASP  29           HA       ASP  29  -5.925   8.259  -5.059
  216    HB2  ASP  29           2HB      ASP  29  -3.973   6.043  -4.436
  217    HB3  ASP  29           1HB      ASP  29  -5.405   5.842  -5.446
  218    H    LYS  30           H        LYS  30  -4.797   6.129  -2.403
  219    HA   LYS  30           HA       LYS  30  -7.597   5.512  -1.825
  220    HB2  LYS  30           2HB      LYS  30  -5.131   4.284  -0.593
  221    HB3  LYS  30           1HB      LYS  30  -6.769   3.626  -0.617
  222    HG2  LYS  30           2HG      LYS  30  -5.007   4.105  -3.040
  223    HG3  LYS  30           1HG      LYS  30  -5.412   2.536  -2.343
  224    HD2  LYS  30           2HD      LYS  30  -7.872   3.198  -2.716
  225    HD3  LYS  30           1HD      LYS  30  -7.244   4.478  -3.753
  226    HE2  LYS  30           2HE      LYS  30  -6.639   1.525  -4.077
  227    HE3  LYS  30           1HE      LYS  30  -7.797   2.433  -5.048
  228    HZ1  LYS  30           3HZ      LYS  30  -5.486   3.907  -5.124
  229    HZ2  LYS  30           1HZ      LYS  30  -6.105   2.934  -6.368
  230    HZ3  LYS  30           2HZ      LYS  30  -4.964   2.298  -5.281
  231    H    HIS  31           H        HIS  31  -5.596   7.876  -0.800
  232    HA   HIS  31           HA       HIS  31  -5.546   9.234   1.059
  233    HB2  HIS  31           2HB      HIS  31  -8.167   7.915   1.778
  234    HB3  HIS  31           1HB      HIS  31  -7.612   9.530   2.221
  235    HD2  HIS  31           2HD      HIS  31  -9.402   7.763  -0.736
  236    HE1  HIS  31           1HE      HIS  31  -8.622  11.731  -1.950
  237    HE2  HIS  31           2HE      HIS  31  -9.853   9.591  -2.545
  238    H    ALA  32           H        ALA  32  -4.507   6.397   1.225
  239    HA   ALA  32           HA       ALA  32  -4.999   5.375   3.822
  240    HB1  ALA  32           1HB      ALA  32  -2.383   5.047   2.360
  241    HB2  ALA  32           2HB      ALA  32  -3.846   4.225   1.816
  242    HB3  ALA  32           3HB      ALA  32  -3.202   3.903   3.427
  243    H    ARG  33           H        ARG  33  -3.638   5.482   5.702
  244    HA   ARG  33           HA       ARG  33  -2.668   8.141   6.205
  245    HB2  ARG  33           2HB      ARG  33  -2.415   5.674   7.936
  246    HB3  ARG  33           1HB      ARG  33  -2.219   7.349   8.453
  247    HG2  ARG  33           2HG      ARG  33  -4.770   6.350   7.173
  248    HG3  ARG  33           1HG      ARG  33  -4.505   6.289   8.917
  249    HD2  ARG  33           2HD      ARG  33  -3.945   8.778   8.776
  250    HD3  ARG  33           1HD      ARG  33  -4.595   8.732   7.139
  251    HE   ARG  33           HE       ARG  33  -6.115   8.754   9.558
  252   HH11  ARG  33          1HH2      ARG  33  -5.970   7.466   6.350
  253   HH12  ARG  33          2HH2      ARG  33  -7.685   7.283   6.196
  254   HH21  ARG  33          1HH1      ARG  33  -8.367   8.517   9.364
  255   HH22  ARG  33          2HH1      ARG  33  -9.042   7.878   7.903
  256    H    SER  34           H        SER  34  -1.147   4.948   5.861
  257    HA   SER  34           HA       SER  34   1.446   6.327   5.526
  258    HB2  SER  34           2HB      SER  34   2.270   5.276   7.312
  259    HB3  SER  34           1HB      SER  34   0.686   4.573   7.622
  260    HG   SER  34           HG       SER  34   2.836   3.549   6.100
  261    H    GLY  35           H        GLY  35  -0.828   4.415   4.078
  262    HA2  GLY  35           2HA      GLY  35  -0.732   2.683   2.498
  263    HA3  GLY  35           1HA      GLY  35   0.268   3.899   1.710
  264    H    GLU  36           H        GLU  36   0.197   0.798   3.128
  265    HA   GLU  36           HA       GLU  36   3.147   0.614   2.979
  266    HB2  GLU  36           2HB      GLU  36   1.235  -0.997   4.690
  267    HB3  GLU  36           1HB      GLU  36   2.981  -1.239   4.607
  268    HG2  GLU  36           2HG      GLU  36   1.642   1.354   5.436
  269    HG3  GLU  36           1HG      GLU  36   2.287   0.159   6.561
  270    H    CYS  37           H        CYS  37   3.975  -0.786   1.550
  271    HA   CYS  37           HA       CYS  37   2.097  -2.541   0.102
  272    HB2  CYS  37           2HB      CYS  37   4.617  -1.120  -0.659
  273    HB3  CYS  37           1HB      CYS  37   4.146  -2.578  -1.531
  274    H    PHE  38           H        PHE  38   2.493  -4.699  -0.164
  275    HA   PHE  38           HA       PHE  38   4.883  -5.815   1.165
  276    HB2  PHE  38           2HB      PHE  38   2.053  -6.876   1.359
  277    HB3  PHE  38           1HB      PHE  38   3.487  -7.673   2.005
  278    HD1  PHE  38           1HD      PHE  38   1.327  -4.671   2.278
  279    HD2  PHE  38           2HD      PHE  38   4.536  -6.924   4.030
  280    HE1  PHE  38           1HE      PHE  38   1.164  -3.300   4.338
  281    HE2  PHE  38           2HE      PHE  38   4.374  -5.553   6.089
  282    HZ   PHE  38           HZ       PHE  38   2.688  -3.741   6.243
  283    H    TYR  39           H        TYR  39   5.385  -8.035   0.441
  284    HA   TYR  39           HA       TYR  39   4.914  -8.272  -2.442
  285    HB2  TYR  39           2HB      TYR  39   6.822  -9.772  -0.630
  286    HB3  TYR  39           1HB      TYR  39   6.755  -9.900  -2.387
  287    HD1  TYR  39           1HD      TYR  39   7.338  -7.509   0.413
  288    HD2  TYR  39           2HD      TYR  39   7.838  -8.311  -3.777
  289    HE1  TYR  39           1HE      TYR  39   8.815  -5.527   0.210
  290    HE2  TYR  39           2HE      TYR  39   9.313  -6.329  -3.980
  291    HH   TYR  39           HH       TYR  39   9.427  -3.929  -2.161
  292    H    ASP  40           H        ASP  40   3.501  -9.680  -3.251
  293    HA   ASP  40           HA       ASP  40   2.362 -11.720  -1.464
  294    HB2  ASP  40           2HB      ASP  40   0.504 -11.811  -2.989
  295    HB3  ASP  40           1HB      ASP  40   0.851 -10.113  -2.667
  296    H    GLU  41           H        GLU  41   1.421 -13.558  -3.224
  297    HA   GLU  41           HA       GLU  41   3.755 -15.100  -3.809
  298    HB2  GLU  41           2HB      GLU  41   2.023 -16.636  -4.911
  299    HB3  GLU  41           1HB      GLU  41   1.838 -16.335  -3.183
  300    HG2  GLU  41           2HG      GLU  41   0.458 -14.530  -5.143
  301    HG3  GLU  41           1HG      GLU  41  -0.243 -16.106  -4.782
  302    H    LYS  42           H        LYS  42   1.654 -13.006  -5.655
  303    HA   LYS  42           HA       LYS  42   2.559 -13.880  -8.240
  304    HB2  LYS  42           2HB      LYS  42   1.219 -11.277  -7.473
  305    HB3  LYS  42           1HB      LYS  42   1.333 -11.966  -9.093
  306    HG2  LYS  42           2HG      LYS  42   0.128 -14.019  -8.136
  307    HG3  LYS  42           1HG      LYS  42  -0.233 -13.015  -6.731
  308    HD2  LYS  42           2HD      LYS  42  -0.949 -12.320  -9.595
  309    HD3  LYS  42           1HD      LYS  42  -2.074 -12.960  -8.396
  310    HE2  LYS  42           2HE      LYS  42  -2.430 -10.644  -8.249
  311    HE3  LYS  42           1HE      LYS  42  -1.292 -10.945  -6.935
  312    HZ1  LYS  42           3HZ      LYS  42   0.125  -9.565  -7.894
  313    HZ2  LYS  42           1HZ      LYS  42  -0.968  -9.280  -9.161
  314    HZ3  LYS  42           2HZ      LYS  42   0.166 -10.539  -9.286
  315    H    ARG  43           H        ARG  43   4.239 -12.479  -5.860
  316    HA   ARG  43           HA       ARG  43   6.197 -11.288  -5.755
  317    HB2  ARG  43           2HB      ARG  43   6.345 -11.506  -8.761
  318    HB3  ARG  43           1HB      ARG  43   7.675 -11.391  -7.607
  319    HG2  ARG  43           2HG      ARG  43   5.768 -13.725  -7.941
  320    HG3  ARG  43           1HG      ARG  43   7.485 -13.702  -8.342
  321    HD2  ARG  43           2HD      ARG  43   6.176 -13.718  -5.639
  322    HD3  ARG  43           1HD      ARG  43   7.496 -14.717  -6.238
  323    HE   ARG  43           HE       ARG  43   7.713 -12.023  -5.142
  324   HH11  ARG  43          1HH2      ARG  43   9.143 -14.617  -6.933
  325   HH12  ARG  43          2HH2      ARG  43  10.770 -14.091  -6.661
  326   HH21  ARG  43          1HH1      ARG  43   9.846 -11.328  -4.779
  327   HH22  ARG  43          2HH1      ARG  43  11.169 -12.230  -5.442
  328    H    ASN  44           H        ASN  44   3.487 -10.064  -6.516
  329    HA   ASN  44           HA       ASN  44   4.447  -7.546  -7.711
  330    HB2  ASN  44           2HB      ASN  44   2.364  -7.242  -8.578
  331    HB3  ASN  44           1HB      ASN  44   2.250  -8.989  -8.365
  332   HD21  ASN  44          1HD2      ASN  44   0.235  -6.591  -8.049
  333   HD22  ASN  44          2HD2      ASN  44  -0.512  -6.928  -6.563
  334    H    LEU  45           H        LEU  45   3.811  -5.532  -6.732
  335    HA   LEU  45           HA       LEU  45   3.950  -5.663  -3.827
  336    HB2  LEU  45           2HB      LEU  45   3.843  -3.213  -5.599
  337    HB3  LEU  45           1HB      LEU  45   4.380  -3.296  -3.921
  338    HG   LEU  45           HG       LEU  45   5.701  -4.791  -6.203
  339   HD11  LEU  45          1HD1      LEU  45   6.288  -2.127  -4.909
  340   HD12  LEU  45          2HD1      LEU  45   6.164  -2.507  -6.627
  341   HD13  LEU  45          3HD1      LEU  45   7.556  -3.064  -5.698
  342   HD21  LEU  45          3HD2      LEU  45   7.559  -4.825  -4.377
  343   HD22  LEU  45          1HD2      LEU  45   6.203  -5.939  -4.207
  344   HD23  LEU  45          2HD2      LEU  45   6.247  -4.454  -3.257
  345    H    GLN  46           H        GLN  46   2.060  -6.074  -2.839
  346    HA   GLN  46           HA       GLN  46  -0.447  -5.045  -3.873
  347    HB2  GLN  46           2HB      GLN  46   0.263  -6.697  -1.443
  348    HB3  GLN  46           1HB      GLN  46  -1.382  -6.180  -1.815
  349    HG2  GLN  46           2HG      GLN  46   0.367  -7.732  -3.741
  350    HG3  GLN  46           1HG      GLN  46  -0.810  -8.484  -2.667
  351   HE21  GLN  46          1HE2      GLN  46  -0.893  -8.432  -5.641
  352   HE22  GLN  46          2HE2      GLN  46  -2.342  -7.649  -6.052
  353    H    CYS  47           H        CYS  47  -1.169  -3.074  -3.434
  354    HA   CYS  47           HA       CYS  47   0.032  -1.448  -1.375
  355    HB2  CYS  47           2HB      CYS  47  -2.397  -0.825  -3.064
  356    HB3  CYS  47           1HB      CYS  47  -1.355   0.322  -2.224
  357    H    ILE  48           H        ILE  48  -0.474  -1.984   0.679
  358    HA   ILE  48           HA       ILE  48  -3.303  -2.499   1.337
  359    HB   ILE  48           HB       ILE  48  -0.877  -2.982   3.077
  360   HG12  ILE  48          2HG1      ILE  48  -2.363  -4.838   1.189
  361   HG13  ILE  48          1HG1      ILE  48  -0.667  -4.360   1.083
  362   HG21  ILE  48          1HG2      ILE  48  -3.190  -2.753   4.114
  363   HG22  ILE  48          2HG2      ILE  48  -2.378  -4.289   4.416
  364   HG23  ILE  48          3HG2      ILE  48  -3.652  -4.189   3.199
  365   HD11  ILE  48          3HD1      ILE  48  -0.534  -5.338   3.521
  366   HD12  ILE  48          1HD1      ILE  48  -0.493  -6.433   2.138
  367   HD13  ILE  48          2HD1      ILE  48  -1.992  -6.210   3.043
  368    H    CYS  49           H        CYS  49  -4.293  -0.617   1.788
  369    HA   CYS  49           HA       CYS  49  -2.944   1.633   2.950
  370    HB2  CYS  49           2HB      CYS  49  -5.911   1.117   2.661
  371    HB3  CYS  49           1HB      CYS  49  -5.147   2.675   2.975
  372    H    ASP  50           H        ASP  50  -2.548   2.003   5.031
  373    HA   ASP  50           HA       ASP  50  -3.916   0.343   7.048
  374    HB2  ASP  50           2HB      ASP  50  -2.060   0.802   8.502
  375    HB3  ASP  50           1HB      ASP  50  -1.402   0.344   6.931
  376    H    TYR  51           H        TYR  51  -4.887   1.250   8.861
  377    HA   TYR  51           HA       TYR  51  -5.415   4.153   8.667
  378    HB2  TYR  51           2HB      TYR  51  -7.071   1.898   9.814
  379    HB3  TYR  51           1HB      TYR  51  -7.407   3.594  10.156
  380    HD1  TYR  51           1HD      TYR  51  -6.511   1.540   7.142
  381    HD2  TYR  51           2HD      TYR  51  -9.062   4.549   8.840
  382    HE1  TYR  51           1HE      TYR  51  -7.717   1.734   4.985
  383    HE2  TYR  51           2HE      TYR  51 -10.269   4.745   6.683
  384    HH   TYR  51           HH       TYR  51  -9.642   4.261   4.179
  385    H    CYS  52           H        CYS  52  -3.760   4.983   9.888
  386    HA   CYS  52           HA       CYS  52  -2.876   5.763  11.875
  387    HB2  CYS  52           2HB      CYS  52  -4.522   3.787  13.421
  388    HB3  CYS  52           1HB      CYS  52  -3.988   5.401  13.893
  389    H    GLU  53           H        GLU  53  -3.546   2.289  12.417
  390    HA   GLU  53           HA       GLU  53  -0.834   1.919  13.405
  391    HB2  GLU  53           2HB      GLU  53  -3.105  -0.056  13.084
  392    HB3  GLU  53           1HB      GLU  53  -1.576  -0.375  13.902
  393    HG2  GLU  53           2HG      GLU  53  -3.511   1.819  14.695
  394    HG3  GLU  53           1HG      GLU  53  -3.418   0.245  15.480
  395    H    TYR  54           H        TYR  54   0.780   1.585  12.034
  396    HA   TYR  54           HA       TYR  54   0.227   0.209   9.481
  397    HB2  TYR  54           2HB      TYR  54   2.232   1.242   8.633
  398    HB3  TYR  54           1HB      TYR  54   1.270   2.495   9.417
  399    HD1  TYR  54           2HD      TYR  54   1.952   3.464  11.556
  400    HD2  TYR  54           1HD      TYR  54   4.298   0.412   9.648
  401    HE1  TYR  54           2HE      TYR  54   3.845   3.967  13.077
  402    HE2  TYR  54           1HE      TYR  54   6.191   0.917  11.169
  403    HH   TYR  54           HH       TYR  54   6.278   3.711  13.127
  Start of MODEL   15
    1    H1   ASP   2           H        ASP   2  -5.172  -6.481   9.353
    2    HA   ASP   2           HA       ASP   2  -7.092  -5.594   8.171
    3    HB2  ASP   2           2HB      ASP   2  -7.949  -7.512  10.348
    4    HB3  ASP   2           1HB      ASP   2  -8.949  -7.068   8.966
    5    H    LYS   3           H        LYS   3  -7.108  -5.174  11.657
    6    HA   LYS   3           HA       LYS   3  -9.545  -3.814  11.953
    7    HB2  LYS   3           2HB      LYS   3  -6.951  -3.512  13.485
    8    HB3  LYS   3           1HB      LYS   3  -8.499  -2.838  13.995
    9    HG2  LYS   3           2HG      LYS   3  -9.468  -5.141  13.954
   10    HG3  LYS   3           1HG      LYS   3  -7.865  -5.773  13.575
   11    HD2  LYS   3           2HD      LYS   3  -7.002  -4.725  15.673
   12    HD3  LYS   3           1HD      LYS   3  -8.650  -4.237  16.069
   13    HE2  LYS   3           2HE      LYS   3  -7.884  -7.112  15.517
   14    HE3  LYS   3           1HE      LYS   3  -7.873  -6.415  17.137
   15    HZ1  LYS   3           3HZ      LYS   3 -10.268  -5.657  16.350
   16    HZ2  LYS   3           1HZ      LYS   3  -9.992  -7.157  17.093
   17    HZ3  LYS   3           2HZ      LYS   3 -10.125  -7.059  15.402
   18    H    CYS   4           H        CYS   4  -6.369  -2.701  10.917
   19    HA   CYS   4           HA       CYS   4  -7.590  -0.101  10.223
   20    HB2  CYS   4           2HB      CYS   4  -4.770  -0.490  11.250
   21    HB3  CYS   4           1HB      CYS   4  -5.550   1.042  10.856
   22    H    LYS   5           H        LYS   5  -5.797  -2.831   9.287
   23    HA   LYS   5           HA       LYS   5  -4.564  -1.515   6.983
   24    HB2  LYS   5           2HB      LYS   5  -4.502  -4.422   7.824
   25    HB3  LYS   5           1HB      LYS   5  -3.524  -3.682   6.557
   26    HG2  LYS   5           2HG      LYS   5  -3.447  -2.510   9.316
   27    HG3  LYS   5           1HG      LYS   5  -2.535  -3.983   8.986
   28    HD2  LYS   5           2HD      LYS   5  -2.298  -1.712   7.052
   29    HD3  LYS   5           1HD      LYS   5  -1.442  -1.595   8.590
   30    HE2  LYS   5           2HE      LYS   5  -0.141  -3.509   8.154
   31    HE3  LYS   5           1HE      LYS   5  -1.244  -4.084   6.902
   32    HZ1  LYS   5           3HZ      LYS   5  -0.403  -2.659   5.369
   33    HZ2  LYS   5           1HZ      LYS   5   0.992  -2.862   6.314
   34    HZ3  LYS   5           2HZ      LYS   5   0.024  -1.479   6.513
   35    H    LYS   6           H        LYS   6  -5.242  -1.706   4.916
   36    HA   LYS   6           HA       LYS   6  -7.361  -3.631   4.269
   37    HB2  LYS   6           2HB      LYS   6  -7.545  -0.634   3.908
   38    HB3  LYS   6           1HB      LYS   6  -8.517  -1.761   2.961
   39    HG2  LYS   6           2HG      LYS   6  -9.537  -2.670   4.951
   40    HG3  LYS   6           1HG      LYS   6  -8.439  -1.761   5.989
   41    HD2  LYS   6           2HD      LYS   6 -10.663  -0.675   5.844
   42    HD3  LYS   6           1HD      LYS   6  -9.393   0.353   5.178
   43    HE2  LYS   6           2HE      LYS   6 -10.061  -0.034   2.966
   44    HE3  LYS   6           1HE      LYS   6 -10.901  -1.528   3.379
   45    HZ1  LYS   6           3HZ      LYS   6 -12.672  -0.150   3.217
   46    HZ2  LYS   6           1HZ      LYS   6 -11.792   1.239   3.631
   47    HZ3  LYS   6           2HZ      LYS   6 -12.287   0.156   4.842
   48    H    VAL   7           H        VAL   7  -6.909  -4.637   2.422
   49    HA   VAL   7           HA       VAL   7  -4.636  -3.771   0.845
   50    HB   VAL   7           HB       VAL   7  -6.454  -6.129   0.342
   51   HG11  VAL   7          1HG1      VAL   7  -3.583  -5.488  -0.401
   52   HG12  VAL   7          2HG1      VAL   7  -4.956  -5.569  -1.506
   53   HG13  VAL   7          3HG1      VAL   7  -4.378  -7.033  -0.709
   54   HG21  VAL   7          3HG2      VAL   7  -4.584  -7.359   1.608
   55   HG22  VAL   7          1HG2      VAL   7  -5.705  -6.413   2.586
   56   HG23  VAL   7          2HG2      VAL   7  -4.104  -5.773   2.213
   57    H    TYR   8           H        TYR   8  -4.666  -2.791  -1.077
   58    HA   TYR   8           HA       TYR   8  -7.282  -2.438  -2.413
   59    HB2  TYR   8           2HB      TYR   8  -5.043  -0.517  -1.897
   60    HB3  TYR   8           1HB      TYR   8  -6.024  -0.321  -3.351
   61    HD1  TYR   8           2HD      TYR   8  -8.415   0.197  -3.206
   62    HD2  TYR   8           1HD      TYR   8  -6.014  -0.246   0.328
   63    HE1  TYR   8           2HE      TYR   8 -10.215   1.236  -1.854
   64    HE2  TYR   8           1HE      TYR   8  -7.814   0.793   1.681
   65    HH   TYR   8           HH       TYR   8 -10.942   1.167   0.600
   66    H    GLU   9           H        GLU   9  -6.984  -4.249  -3.753
   67    HA   GLU   9           HA       GLU   9  -4.647  -4.660  -5.331
   68    HB2  GLU   9           2HB      GLU   9  -7.462  -5.655  -5.831
   69    HB3  GLU   9           1HB      GLU   9  -5.976  -6.315  -6.517
   70    HG2  GLU   9           2HG      GLU   9  -6.572  -6.177  -3.549
   71    HG3  GLU   9           1HG      GLU   9  -6.806  -7.613  -4.544
   72    H    ASN  10           H        ASN  10  -4.928  -4.806  -7.816
   73    HA   ASN  10           HA       ASN  10  -5.283  -3.752  -9.835
   74    HB2  ASN  10           2HB      ASN  10  -7.284  -1.901  -8.583
   75    HB3  ASN  10           1HB      ASN  10  -7.265  -2.591 -10.205
   76   HD21  ASN  10          1HD2      ASN  10  -9.636  -2.858  -8.806
   77   HD22  ASN  10          2HD2      ASN  10  -9.836  -4.458  -8.279
   78    H    TYR  11           H        TYR  11  -4.121  -2.401  -7.055
   79    HA   TYR  11           HA       TYR  11  -3.386   0.093  -8.451
   80    HB2  TYR  11           2HB      TYR  11  -4.035  -0.505  -5.616
   81    HB3  TYR  11           1HB      TYR  11  -2.779   0.698  -5.916
   82    HD1  TYR  11           1HD      TYR  11  -6.305  -0.215  -6.689
   83    HD2  TYR  11           2HD      TYR  11  -3.314   2.870  -6.750
   84    HE1  TYR  11           1HE      TYR  11  -8.043   1.461  -7.256
   85    HE2  TYR  11           2HE      TYR  11  -5.053   4.545  -7.315
   86    HH   TYR  11           HH       TYR  11  -7.347   4.509  -8.429
   87    HA   PRO  12           HA       PRO  12   0.510  -2.273  -6.355
   88    HB2  PRO  12           2HB      PRO  12   0.005  -4.438  -8.377
   89    HB3  PRO  12           1HB      PRO  12   0.736  -4.563  -6.766
   90    HG2  PRO  12           2HG      PRO  12  -1.769  -5.372  -7.212
   91    HG3  PRO  12           1HG      PRO  12  -1.309  -4.585  -5.692
   92    HD2  PRO  12           2HD      PRO  12  -2.910  -3.485  -7.953
   93    HD3  PRO  12           1HD      PRO  12  -2.945  -3.046  -6.229
   94    H    VAL  13           H        VAL  13   2.042  -0.977  -7.300
   95    HA   VAL  13           HA       VAL  13   2.354  -1.131 -10.238
   96    HB   VAL  13           HB       VAL  13   2.690   1.391  -8.612
   97   HG11  VAL  13          1HG1      VAL  13   2.901   2.481 -10.704
   98   HG12  VAL  13          2HG1      VAL  13   2.270   1.090 -11.586
   99   HG13  VAL  13          3HG1      VAL  13   3.879   1.024 -10.868
  100   HG21  VAL  13          3HG2      VAL  13   0.284   0.094  -9.699
  101   HG22  VAL  13          1HG2      VAL  13   0.492   1.763 -10.230
  102   HG23  VAL  13          2HG2      VAL  13   0.421   1.387  -8.508
  103    H    SER  14           H        SER  14   4.425  -1.167 -11.006
  104    HA   SER  14           HA       SER  14   6.533  -2.077  -9.454
  105    HB2  SER  14           2HB      SER  14   6.766  -0.358 -11.939
  106    HB3  SER  14           1HB      SER  14   7.993  -1.448 -11.299
  107    HG   SER  14           HG       SER  14   5.597  -2.684 -11.600
  108    H    LYS  15           H        LYS  15   5.410   1.179 -10.066
  109    HA   LYS  15           HA       LYS  15   7.627   2.616  -9.061
  110    HB2  LYS  15           2HB      LYS  15   4.682   3.328  -9.116
  111    HB3  LYS  15           1HB      LYS  15   5.979   4.460  -8.733
  112    HG2  LYS  15           2HG      LYS  15   7.010   3.948 -10.961
  113    HG3  LYS  15           1HG      LYS  15   5.596   2.966 -11.341
  114    HD2  LYS  15           2HD      LYS  15   4.154   4.975 -10.939
  115    HD3  LYS  15           1HD      LYS  15   5.620   5.934 -10.727
  116    HE2  LYS  15           2HE      LYS  15   4.896   6.192 -13.020
  117    HE3  LYS  15           1HE      LYS  15   6.347   5.191 -13.021
  118    HZ1  LYS  15           3HZ      LYS  15   4.599   4.279 -14.439
  119    HZ2  LYS  15           1HZ      LYS  15   3.561   4.166 -13.102
  120    HZ3  LYS  15           2HZ      LYS  15   4.975   3.226 -13.160
  121    H    CYS  16           H        CYS  16   5.001   0.912  -7.529
  122    HA   CYS  16           HA       CYS  16   5.129   2.113  -4.971
  123    HB2  CYS  16           2HB      CYS  16   4.328  -0.717  -5.711
  124    HB3  CYS  16           1HB      CYS  16   3.964   0.097  -4.188
  125    H    GLN  17           H        GLN  17   7.252  -0.009  -6.626
  126    HA   GLN  17           HA       GLN  17   8.454  -1.563  -4.729
  127    HB2  GLN  17           2HB      GLN  17  10.536  -1.326  -5.983
  128    HB3  GLN  17           1HB      GLN  17   9.177  -1.418  -7.103
  129    HG2  GLN  17           2HG      GLN  17   9.159   1.153  -7.026
  130    HG3  GLN  17           1HG      GLN  17  10.749   1.022  -6.275
  131   HE21  GLN  17          1HE2      GLN  17  12.099   1.696  -7.995
  132   HE22  GLN  17          2HE2      GLN  17  12.139   0.935  -9.512
  133    H    LEU  18           H        LEU  18   8.192   1.834  -4.743
  134    HA   LEU  18           HA       LEU  18  10.308   2.134  -2.711
  135    HB2  LEU  18           2HB      LEU  18   8.882   4.068  -4.521
  136    HB3  LEU  18           1HB      LEU  18   9.710   4.635  -3.072
  137    HG   LEU  18           HG       LEU  18  11.167   2.782  -4.918
  138   HD11  LEU  18          1HD1      LEU  18  10.782   5.759  -5.363
  139   HD12  LEU  18          2HD1      LEU  18  10.238   4.467  -6.433
  140   HD13  LEU  18          3HD1      LEU  18  11.964   4.759  -6.208
  141   HD21  LEU  18          3HD2      LEU  18  12.129   3.487  -2.741
  142   HD22  LEU  18          1HD2      LEU  18  11.992   5.173  -3.239
  143   HD23  LEU  18          2HD2      LEU  18  13.086   4.086  -4.095
  144    H    ALA  19           H        ALA  19   9.470   1.595  -0.764
  145    HA   ALA  19           HA       ALA  19   6.893   1.633   0.133
  146    HB1  ALA  19           1HB      ALA  19   9.276   2.485   1.790
  147    HB2  ALA  19           2HB      ALA  19   8.858   0.811   1.428
  148    HB3  ALA  19           3HB      ALA  19   7.763   1.805   2.389
  149    H    ASN  20           H        ASN  20   8.755   4.335  -0.774
  150    HA   ASN  20           HA       ASN  20   7.326   6.266   0.848
  151    HB2  ASN  20           2HB      ASN  20   9.254   6.581  -1.464
  152    HB3  ASN  20           1HB      ASN  20   8.563   7.927  -0.559
  153   HD21  ASN  20          1HD2      ASN  20  11.430   6.657  -0.749
  154   HD22  ASN  20          2HD2      ASN  20  11.887   6.523   0.882
  155    H    GLN  21           H        GLN  21   7.361   5.186  -2.524
  156    HA   GLN  21           HA       GLN  21   5.425   7.006  -3.504
  157    HB2  GLN  21           2HB      GLN  21   6.264   4.251  -4.438
  158    HB3  GLN  21           1HB      GLN  21   5.149   5.287  -5.328
  159    HG2  GLN  21           2HG      GLN  21   7.910   6.189  -4.486
  160    HG3  GLN  21           1HG      GLN  21   7.581   5.443  -6.049
  161   HE21  GLN  21          1HE2      GLN  21   8.494   8.202  -5.692
  162   HE22  GLN  21          2HE2      GLN  21   7.263   9.209  -6.285
  163    H    CYS  22           H        CYS  22   5.200   3.765  -2.113
  164    HA   CYS  22           HA       CYS  22   2.527   3.193  -2.605
  165    HB2  CYS  22           2HB      CYS  22   3.893   2.476  -0.019
  166    HB3  CYS  22           1HB      CYS  22   2.696   1.549  -0.926
  167    H    ASN  23           H        ASN  23   3.835   4.554   0.433
  168    HA   ASN  23           HA       ASN  23   1.303   5.066   1.567
  169    HB2  ASN  23           2HB      ASN  23   2.575   6.530   3.145
  170    HB3  ASN  23           1HB      ASN  23   3.234   4.903   2.985
  171   HD21  ASN  23          1HD2      ASN  23   4.456   7.767   3.514
  172   HD22  ASN  23          2HD2      ASN  23   5.793   7.790   2.469
  173    H    TYR  24           H        TYR  24   3.521   7.184  -0.233
  174    HA   TYR  24           HA       TYR  24   1.982   9.548   0.056
  175    HB2  TYR  24           2HB      TYR  24   4.207   8.640  -1.692
  176    HB3  TYR  24           1HB      TYR  24   3.259  10.021  -2.246
  177    HD1  TYR  24           1HD      TYR  24   5.081   8.704   0.746
  178    HD2  TYR  24           2HD      TYR  24   3.646  12.163  -1.358
  179    HE1  TYR  24           1HE      TYR  24   6.277  10.175   2.346
  180    HE2  TYR  24           2HE      TYR  24   4.841  13.632   0.242
  181    HH   TYR  24           HH       TYR  24   7.241  12.753   2.104
  182    H    ASP  25           H        ASP  25   2.153   7.143  -2.563
  183    HA   ASP  25           HA       ASP  25   0.264   8.334  -4.269
  184    HB2  ASP  25           2HB      ASP  25   1.030   5.437  -3.897
  185    HB3  ASP  25           1HB      ASP  25   0.020   6.027  -5.215
  186    H    CYS  26           H        CYS  26  -0.158   5.923  -1.685
  187    HA   CYS  26           HA       CYS  26  -2.894   5.442  -2.035
  188    HB2  CYS  26           2HB      CYS  26  -1.237   5.456   0.499
  189    HB3  CYS  26           1HB      CYS  26  -2.871   4.800   0.378
  190    H    LYS  27           H        LYS  27  -1.236   7.909  -0.080
  191    HA   LYS  27           HA       LYS  27  -3.463   9.119   1.084
  192    HB2  LYS  27           2HB      LYS  27  -0.756  10.125   0.257
  193    HB3  LYS  27           1HB      LYS  27  -1.962  11.247   0.890
  194    HG2  LYS  27           2HG      LYS  27  -2.035  10.187   2.983
  195    HG3  LYS  27           1HG      LYS  27  -1.349   8.689   2.355
  196    HD2  LYS  27           2HD      LYS  27   0.300   9.969   3.703
  197    HD3  LYS  27           1HD      LYS  27   0.818   9.790   2.026
  198    HE2  LYS  27           2HE      LYS  27   0.183  12.033   1.493
  199    HE3  LYS  27           1HE      LYS  27  -0.697  12.217   3.009
  200    HZ1  LYS  27           3HZ      LYS  27   1.880  12.949   2.575
  201    HZ2  LYS  27           1HZ      LYS  27   2.045  11.469   3.385
  202    HZ3  LYS  27           2HZ      LYS  27   1.158  12.731   4.098
  203    H    LEU  28           H        LEU  28  -1.961   9.646  -2.074
  204    HA   LEU  28           HA       LEU  28  -3.702  11.757  -2.887
  205    HB2  LEU  28           2HB      LEU  28  -2.020   9.862  -4.546
  206    HB3  LEU  28           1HB      LEU  28  -2.767  11.351  -5.125
  207    HG   LEU  28           HG       LEU  28  -0.781  11.229  -2.839
  208   HD11  LEU  28          1HD1      LEU  28  -0.375  12.085  -5.722
  209   HD12  LEU  28          2HD1      LEU  28   0.247  10.596  -5.009
  210   HD13  LEU  28          3HD1      LEU  28   0.834  12.158  -4.440
  211   HD21  LEU  28          3HD2      LEU  28  -2.293  13.401  -4.265
  212   HD22  LEU  28          1HD2      LEU  28  -0.699  13.756  -3.598
  213   HD23  LEU  28          2HD2      LEU  28  -1.996  13.203  -2.537
  214    H    ASP  29           H        ASP  29  -3.699   8.247  -3.345
  215    HA   ASP  29           HA       ASP  29  -6.138   8.419  -4.956
  216    HB2  ASP  29           2HB      ASP  29  -4.303   6.116  -4.290
  217    HB3  ASP  29           1HB      ASP  29  -5.753   5.974  -5.284
  218    H    LYS  30           H        LYS  30  -5.064   6.343  -2.235
  219    HA   LYS  30           HA       LYS  30  -7.865   5.817  -1.616
  220    HB2  LYS  30           2HB      LYS  30  -5.434   4.676  -0.243
  221    HB3  LYS  30           1HB      LYS  30  -7.069   4.011  -0.290
  222    HG2  LYS  30           2HG      LYS  30  -5.164   4.304  -2.631
  223    HG3  LYS  30           1HG      LYS  30  -5.712   2.797  -1.894
  224    HD2  LYS  30           2HD      LYS  30  -8.094   3.571  -2.479
  225    HD3  LYS  30           1HD      LYS  30  -7.322   4.770  -3.518
  226    HE2  LYS  30           2HE      LYS  30  -6.190   3.023  -4.775
  227    HE3  LYS  30           1HE      LYS  30  -6.807   1.788  -3.679
  228    HZ1  LYS  30           3HZ      LYS  30  -9.088   2.766  -4.349
  229    HZ2  LYS  30           1HZ      LYS  30  -8.301   1.697  -5.405
  230    HZ3  LYS  30           2HZ      LYS  30  -8.248   3.370  -5.697
  231    H    HIS  31           H        HIS  31  -5.902   8.262  -0.762
  232    HA   HIS  31           HA       HIS  31  -5.890   9.766   0.981
  233    HB2  HIS  31           2HB      HIS  31  -8.470   8.440   1.823
  234    HB3  HIS  31           1HB      HIS  31  -7.957  10.100   2.128
  235    HD2  HIS  31           2HD      HIS  31  -9.712   8.046  -0.659
  236    HE1  HIS  31           1HE      HIS  31  -9.055  11.922  -2.200
  237    HE2  HIS  31           2HE      HIS  31 -10.227   9.706  -2.610
  238    H    ALA  32           H        ALA  32  -4.980   6.813   1.362
  239    HA   ALA  32           HA       ALA  32  -5.349   6.161   4.095
  240    HB1  ALA  32           1HB      ALA  32  -2.845   5.429   2.613
  241    HB2  ALA  32           2HB      ALA  32  -4.387   4.737   2.112
  242    HB3  ALA  32           3HB      ALA  32  -3.791   4.466   3.750
  243    H    ARG  33           H        ARG  33  -3.316   6.018   5.590
  244    HA   ARG  33           HA       ARG  33  -2.222   8.748   5.724
  245    HB2  ARG  33           2HB      ARG  33  -2.491   6.569   7.796
  246    HB3  ARG  33           1HB      ARG  33  -1.624   8.078   8.078
  247    HG2  ARG  33           2HG      ARG  33  -3.691   9.338   7.466
  248    HG3  ARG  33           1HG      ARG  33  -4.548   7.803   7.324
  249    HD2  ARG  33           2HD      ARG  33  -3.923   7.301   9.699
  250    HD3  ARG  33           1HD      ARG  33  -3.235   8.918   9.816
  251    HE   ARG  33           HE       ARG  33  -5.393   9.769   9.959
  252   HH11  ARG  33          1HH2      ARG  33  -5.406   6.505   8.808
  253   HH12  ARG  33          2HH2      ARG  33  -7.128   6.337   8.891
  254   HH21  ARG  33          1HH1      ARG  33  -7.653   9.555  10.070
  255   HH22  ARG  33          2HH1      ARG  33  -8.400   8.063   9.605
  256    H    SER  34           H        SER  34  -1.000   5.547   6.732
  257    HA   SER  34           HA       SER  34   1.577   6.240   5.457
  258    HB2  SER  34           2HB      SER  34   1.484   6.544   7.991
  259    HB3  SER  34           1HB      SER  34   1.356   4.790   8.087
  260    HG   SER  34           HG       SER  34   3.454   6.394   7.102
  261    H    GLY  35           H        GLY  35  -0.580   4.498   4.483
  262    HA2  GLY  35           2HA      GLY  35  -0.419   1.826   4.888
  263    HA3  GLY  35           1HA      GLY  35  -0.585   2.512   3.274
  264    H    GLU  36           H        GLU  36   0.689   0.150   3.440
  265    HA   GLU  36           HA       GLU  36   3.433   0.860   2.708
  266    HB2  GLU  36           2HB      GLU  36   2.775  -1.280   4.748
  267    HB3  GLU  36           1HB      GLU  36   4.369  -0.999   4.048
  268    HG2  GLU  36           2HG      GLU  36   4.502   0.233   6.028
  269    HG3  GLU  36           1HG      GLU  36   3.995   1.465   4.874
  270    H    CYS  37           H        CYS  37   4.495  -0.851   1.484
  271    HA   CYS  37           HA       CYS  37   2.526  -2.539   0.069
  272    HB2  CYS  37           2HB      CYS  37   4.940  -1.026  -0.793
  273    HB3  CYS  37           1HB      CYS  37   4.575  -2.534  -1.628
  274    H    PHE  38           H        PHE  38   2.793  -4.694  -0.048
  275    HA   PHE  38           HA       PHE  38   5.291  -5.838   1.049
  276    HB2  PHE  38           2HB      PHE  38   2.480  -6.920   1.359
  277    HB3  PHE  38           1HB      PHE  38   3.951  -7.687   1.957
  278    HD1  PHE  38           1HD      PHE  38   1.778  -4.692   2.274
  279    HD2  PHE  38           2HD      PHE  38   5.021  -6.945   3.962
  280    HE1  PHE  38           1HE      PHE  38   1.662  -3.316   4.334
  281    HE2  PHE  38           2HE      PHE  38   4.907  -5.569   6.021
  282    HZ   PHE  38           HZ       PHE  38   3.227  -3.754   6.208
  283    H    TYR  39           H        TYR  39   5.708  -8.077   0.284
  284    HA   TYR  39           HA       TYR  39   5.095  -8.254  -2.583
  285    HB2  TYR  39           2HB      TYR  39   7.154  -9.663  -0.867
  286    HB3  TYR  39           1HB      TYR  39   6.931  -9.951  -2.592
  287    HD1  TYR  39           1HD      TYR  39   7.781  -7.351  -0.070
  288    HD2  TYR  39           2HD      TYR  39   7.792  -8.442  -4.224
  289    HE1  TYR  39           1HE      TYR  39   9.195  -5.381  -0.583
  290    HE2  TYR  39           2HE      TYR  39   9.207  -6.471  -4.737
  291    HH   TYR  39           HH       TYR  39   9.618  -3.918  -2.674
  292    H    ASP  40           H        ASP  40   3.789  -9.773  -3.405
  293    HA   ASP  40           HA       ASP  40   2.729 -11.818  -1.561
  294    HB2  ASP  40           2HB      ASP  40   0.792 -11.920  -2.986
  295    HB3  ASP  40           1HB      ASP  40   1.124 -10.221  -2.649
  296    H    GLU  41           H        GLU  41   1.673 -13.555  -3.460
  297    HA   GLU  41           HA       GLU  41   3.998 -15.102  -4.124
  298    HB2  GLU  41           2HB      GLU  41   2.130 -16.507  -5.324
  299    HB3  GLU  41           1HB      GLU  41   2.199 -16.456  -3.562
  300    HG2  GLU  41           2HG      GLU  41   0.591 -14.391  -5.033
  301    HG3  GLU  41           1HG      GLU  41  -0.084 -16.001  -4.788
  302    H    LYS  42           H        LYS  42   1.768 -13.028  -5.873
  303    HA   LYS  42           HA       LYS  42   2.663 -13.784  -8.491
  304    HB2  LYS  42           2HB      LYS  42   1.227 -11.272  -7.599
  305    HB3  LYS  42           1HB      LYS  42   1.371 -11.858  -9.257
  306    HG2  LYS  42           2HG      LYS  42   0.191 -13.951  -8.577
  307    HG3  LYS  42           1HG      LYS  42  -0.038 -13.264  -6.969
  308    HD2  LYS  42           2HD      LYS  42  -1.224 -11.324  -8.026
  309    HD3  LYS  42           1HD      LYS  42  -1.111 -12.156  -9.578
  310    HE2  LYS  42           2HE      LYS  42  -2.438 -14.003  -8.761
  311    HE3  LYS  42           1HE      LYS  42  -2.405 -13.363  -7.118
  312    HZ1  LYS  42           3HZ      LYS  42  -4.108 -12.664  -9.304
  313    HZ2  LYS  42           1HZ      LYS  42  -3.361 -11.302  -8.624
  314    HZ3  LYS  42           2HZ      LYS  42  -4.287 -12.338  -7.647
  315    H    ARG  43           H        ARG  43   4.373 -12.435  -6.127
  316    HA   ARG  43           HA       ARG  43   6.283 -11.167  -6.023
  317    HB2  ARG  43           2HB      ARG  43   6.372 -11.269  -9.036
  318    HB3  ARG  43           1HB      ARG  43   7.720 -11.174  -7.902
  319    HG2  ARG  43           2HG      ARG  43   5.859 -13.533  -8.307
  320    HG3  ARG  43           1HG      ARG  43   7.569 -13.454  -8.730
  321    HD2  ARG  43           2HD      ARG  43   6.299 -13.615  -6.013
  322    HD3  ARG  43           1HD      ARG  43   7.631 -14.560  -6.672
  323    HE   ARG  43           HE       ARG  43   7.810 -11.919  -5.453
  324   HH11  ARG  43          1HH2      ARG  43   9.261 -14.375  -7.412
  325   HH12  ARG  43          2HH2      ARG  43  10.882 -13.819  -7.149
  326   HH21  ARG  43          1HH1      ARG  43   9.932 -11.187  -5.103
  327   HH22  ARG  43          2HH1      ARG  43  11.260 -12.015  -5.843
  328    H    ASN  44           H        ASN  44   3.512 -10.014  -6.692
  329    HA   ASN  44           HA       ASN  44   4.324  -7.448  -7.874
  330    HB2  ASN  44           2HB      ASN  44   2.162  -7.177  -8.539
  331    HB3  ASN  44           1HB      ASN  44   2.111  -8.930  -8.351
  332   HD21  ASN  44          1HD2      ASN  44   0.070  -6.597  -7.811
  333   HD22  ASN  44          2HD2      ASN  44  -0.528  -6.977  -6.269
  334    H    LEU  45           H        LEU  45   3.754  -5.460  -6.815
  335    HA   LEU  45           HA       LEU  45   4.156  -5.622  -3.938
  336    HB2  LEU  45           2HB      LEU  45   3.837  -3.138  -5.632
  337    HB3  LEU  45           1HB      LEU  45   4.576  -3.267  -4.034
  338    HG   LEU  45           HG       LEU  45   5.627  -4.748  -6.455
  339   HD11  LEU  45          1HD1      LEU  45   7.454  -2.931  -6.303
  340   HD12  LEU  45          2HD1      LEU  45   6.274  -2.002  -5.378
  341   HD13  LEU  45          3HD1      LEU  45   5.921  -2.472  -7.042
  342   HD21  LEU  45          3HD2      LEU  45   6.620  -4.190  -3.655
  343   HD22  LEU  45          1HD2      LEU  45   7.714  -4.686  -4.946
  344   HD23  LEU  45          2HD2      LEU  45   6.403  -5.753  -4.443
  345    H    GLN  46           H        GLN  46   2.330  -6.161  -2.862
  346    HA   GLN  46           HA       GLN  46  -0.260  -5.136  -3.623
  347    HB2  GLN  46           2HB      GLN  46   0.697  -6.770  -1.265
  348    HB3  GLN  46           1HB      GLN  46  -0.987  -6.295  -1.501
  349    HG2  GLN  46           2HG      GLN  46   0.652  -7.836  -3.532
  350    HG3  GLN  46           1HG      GLN  46  -0.473  -8.578  -2.396
  351   HE21  GLN  46          1HE2      GLN  46  -0.795  -8.678  -5.291
  352   HE22  GLN  46          2HE2      GLN  46  -2.222  -7.838  -5.665
  353    H    CYS  47           H        CYS  47  -0.874  -3.127  -3.182
  354    HA   CYS  47           HA       CYS  47   0.417  -1.568  -1.110
  355    HB2  CYS  47           2HB      CYS  47  -1.981  -0.768  -2.759
  356    HB3  CYS  47           1HB      CYS  47  -0.801   0.283  -1.976
  357    H    ILE  48           H        ILE  48  -0.159  -1.852   0.951
  358    HA   ILE  48           HA       ILE  48  -2.986  -2.426   1.571
  359    HB   ILE  48           HB       ILE  48  -0.577  -2.744   3.373
  360   HG12  ILE  48          2HG1      ILE  48  -2.056  -4.790   1.685
  361   HG13  ILE  48          1HG1      ILE  48  -0.401  -4.237   1.423
  362   HG21  ILE  48          1HG2      ILE  48  -3.391  -3.863   3.546
  363   HG22  ILE  48          2HG2      ILE  48  -2.810  -2.473   4.464
  364   HG23  ILE  48          3HG2      ILE  48  -2.106  -4.067   4.737
  365   HD11  ILE  48          3HD1      ILE  48  -0.018  -4.994   3.892
  366   HD12  ILE  48          1HD1      ILE  48  -0.083  -6.224   2.630
  367   HD13  ILE  48          2HD1      ILE  48  -1.490  -5.936   3.655
  368    H    CYS  49           H        CYS  49  -3.991  -0.495   1.791
  369    HA   CYS  49           HA       CYS  49  -2.733   1.814   2.940
  370    HB2  CYS  49           2HB      CYS  49  -5.580   1.163   2.186
  371    HB3  CYS  49           1HB      CYS  49  -5.119   2.704   2.910
  372    H    ASP  50           H        ASP  50  -2.576   2.371   5.017
  373    HA   ASP  50           HA       ASP  50  -4.069   0.774   7.003
  374    HB2  ASP  50           2HB      ASP  50  -2.332   1.270   8.564
  375    HB3  ASP  50           1HB      ASP  50  -1.537   0.803   7.059
  376    H    TYR  51           H        TYR  51  -5.191   1.766   8.677
  377    HA   TYR  51           HA       TYR  51  -5.646   4.670   8.336
  378    HB2  TYR  51           2HB      TYR  51  -7.465   2.501   9.407
  379    HB3  TYR  51           1HB      TYR  51  -7.799   4.222   9.592
  380    HD1  TYR  51           1HD      TYR  51  -6.764   1.819   6.902
  381    HD2  TYR  51           2HD      TYR  51  -9.134   5.233   7.980
  382    HE1  TYR  51           1HE      TYR  51  -7.720   1.875   4.616
  383    HE2  TYR  51           2HE      TYR  51 -10.090   5.293   5.693
  384    HH   TYR  51           HH       TYR  51  -8.787   3.813   3.121
  385    H    CYS  52           H        CYS  52  -4.135   5.527   9.705
  386    HA   CYS  52           HA       CYS  52  -3.467   6.355  11.757
  387    HB2  CYS  52           2HB      CYS  52  -5.242   4.384  13.164
  388    HB3  CYS  52           1HB      CYS  52  -4.766   6.008  13.664
  389    H    GLU  53           H        GLU  53  -4.125   2.858  12.166
  390    HA   GLU  53           HA       GLU  53  -1.447   2.564  13.342
  391    HB2  GLU  53           2HB      GLU  53  -3.778   0.634  13.280
  392    HB3  GLU  53           1HB      GLU  53  -2.252   0.379  14.128
  393    HG2  GLU  53           2HG      GLU  53  -4.131   2.702  14.645
  394    HG3  GLU  53           1HG      GLU  53  -4.065   1.237  15.623
  395    H    TYR  54           H        TYR  54   0.170   1.765  12.183
  396    HA   TYR  54           HA       TYR  54  -0.283   0.727   9.526
  397    HB2  TYR  54           2HB      TYR  54   2.118   0.685   9.335
  398    HB3  TYR  54           1HB      TYR  54   1.669   2.182  10.152
  399    HD1  TYR  54           2HD      TYR  54   2.094   2.501  12.539
  400    HD2  TYR  54           1HD      TYR  54   3.192  -1.146  10.552
  401    HE1  TYR  54           2HE      TYR  54   3.497   1.865  14.482
  402    HE2  TYR  54           1HE      TYR  54   4.596  -1.781  12.495
  403    HH   TYR  54           HH       TYR  54   4.995  -1.310  14.704
  Start of MODEL   16
    1    H1   ASP   2           H        ASP   2  -6.788  -4.778  13.340
    2    HA   ASP   2           HA       ASP   2  -5.146  -5.871  11.514
    3    HB2  ASP   2           2HB      ASP   2  -7.409  -7.811  12.016
    4    HB3  ASP   2           1HB      ASP   2  -6.386  -7.847  10.582
    5    H    LYS   3           H        LYS   3  -8.447  -5.061  12.268
    6    HA   LYS   3           HA       LYS   3  -9.509  -4.753   9.693
    7    HB2  LYS   3           2HB      LYS   3 -10.118  -3.038  12.111
    8    HB3  LYS   3           1HB      LYS   3 -11.162  -3.311  10.716
    9    HG2  LYS   3           2HG      LYS   3 -10.200  -5.496  12.586
   10    HG3  LYS   3           1HG      LYS   3 -11.783  -4.723  12.686
   11    HD2  LYS   3           2HD      LYS   3 -12.026  -5.388  10.188
   12    HD3  LYS   3           1HD      LYS   3 -10.692  -6.497  10.508
   13    HE2  LYS   3           2HE      LYS   3 -12.054  -7.346  12.495
   14    HE3  LYS   3           1HE      LYS   3 -13.413  -6.441  11.827
   15    HZ1  LYS   3           3HZ      LYS   3 -11.988  -8.122   9.947
   16    HZ2  LYS   3           1HZ      LYS   3 -13.655  -7.877  10.138
   17    HZ3  LYS   3           2HZ      LYS   3 -12.832  -8.955  11.163
   18    H    CYS   4           H        CYS   4  -7.412  -2.677  11.596
   19    HA   CYS   4           HA       CYS   4  -7.661  -0.271  10.217
   20    HB2  CYS   4           2HB      CYS   4  -4.995  -1.293  11.170
   21    HB3  CYS   4           1HB      CYS   4  -5.617   0.356  11.194
   22    H    LYS   5           H        LYS   5  -5.932  -3.207   9.362
   23    HA   LYS   5           HA       LYS   5  -4.711  -1.942   7.029
   24    HB2  LYS   5           2HB      LYS   5  -4.614  -4.825   7.943
   25    HB3  LYS   5           1HB      LYS   5  -3.622  -4.094   6.681
   26    HG2  LYS   5           2HG      LYS   5  -3.648  -3.168   9.567
   27    HG3  LYS   5           1HG      LYS   5  -2.450  -4.272   8.893
   28    HD2  LYS   5           2HD      LYS   5  -2.102  -2.429   7.087
   29    HD3  LYS   5           1HD      LYS   5  -2.905  -1.367   8.244
   30    HE2  LYS   5           2HE      LYS   5  -0.561  -1.185   8.695
   31    HE3  LYS   5           1HE      LYS   5  -1.229  -2.195   9.977
   32    HZ1  LYS   5           3HZ      LYS   5   0.684  -2.854   7.960
   33    HZ2  LYS   5           1HZ      LYS   5  -0.611  -3.950   7.980
   34    HZ3  LYS   5           2HZ      LYS   5   0.295  -3.680   9.393
   35    H    LYS   6           H        LYS   6  -5.478  -2.059   5.011
   36    HA   LYS   6           HA       LYS   6  -7.452  -4.123   4.327
   37    HB2  LYS   6           2HB      LYS   6  -7.853  -1.145   3.930
   38    HB3  LYS   6           1HB      LYS   6  -8.834  -2.388   3.152
   39    HG2  LYS   6           2HG      LYS   6  -9.288  -3.309   5.490
   40    HG3  LYS   6           1HG      LYS   6  -8.580  -1.817   6.111
   41    HD2  LYS   6           2HD      LYS   6 -10.826  -1.811   4.087
   42    HD3  LYS   6           1HD      LYS   6 -11.125  -1.823   5.827
   43    HE2  LYS   6           2HE      LYS   6  -9.581   0.271   4.271
   44    HE3  LYS   6           1HE      LYS   6 -11.144   0.482   5.059
   45    HZ1  LYS   6           3HZ      LYS   6  -9.656   1.329   6.591
   46    HZ2  LYS   6           1HZ      LYS   6  -8.486   0.139   6.286
   47    HZ3  LYS   6           2HZ      LYS   6  -9.891  -0.255   7.155
   48    H    VAL   7           H        VAL   7  -7.034  -5.000   2.398
   49    HA   VAL   7           HA       VAL   7  -4.783  -4.049   0.867
   50    HB   VAL   7           HB       VAL   7  -6.705  -6.285   0.201
   51   HG11  VAL   7          1HG1      VAL   7  -3.834  -5.727  -0.611
   52   HG12  VAL   7          2HG1      VAL   7  -5.247  -5.539  -1.648
   53   HG13  VAL   7          3HG1      VAL   7  -4.776  -7.142  -1.082
   54   HG21  VAL   7          3HG2      VAL   7  -5.024  -7.741   1.313
   55   HG22  VAL   7          1HG2      VAL   7  -5.757  -6.605   2.445
   56   HG23  VAL   7          2HG2      VAL   7  -4.136  -6.304   1.820
   57    H    TYR   8           H        TYR   8  -4.780  -2.862  -0.930
   58    HA   TYR   8           HA       TYR   8  -7.389  -2.228  -2.174
   59    HB2  TYR   8           2HB      TYR   8  -5.038  -0.548  -1.468
   60    HB3  TYR   8           1HB      TYR   8  -5.865  -0.174  -2.982
   61    HD1  TYR   8           2HD      TYR   8  -8.200   0.564  -3.003
   62    HD2  TYR   8           1HD      TYR   8  -6.179  -0.325   0.683
   63    HE1  TYR   8           2HE      TYR   8 -10.012   1.687  -1.737
   64    HE2  TYR   8           1HE      TYR   8  -7.992   0.797   1.947
   65    HH   TYR   8           HH       TYR   8  -9.856   2.845   1.060
   66    H    GLU   9           H        GLU   9  -7.036  -4.174  -3.487
   67    HA   GLU   9           HA       GLU   9  -4.879  -4.455  -5.285
   68    HB2  GLU   9           2HB      GLU   9  -7.735  -5.414  -5.577
   69    HB3  GLU   9           1HB      GLU   9  -6.350  -6.000  -6.499
   70    HG2  GLU   9           2HG      GLU   9  -6.576  -6.128  -3.481
   71    HG3  GLU   9           1HG      GLU   9  -6.920  -7.475  -4.564
   72    H    ASN  10           H        ASN  10  -5.301  -4.441  -7.742
   73    HA   ASN  10           HA       ASN  10  -5.818  -3.278  -9.670
   74    HB2  ASN  10           2HB      ASN  10  -7.585  -1.401  -8.135
   75    HB3  ASN  10           1HB      ASN  10  -7.747  -1.978  -9.793
   76   HD21  ASN  10          1HD2      ASN  10 -10.021  -2.230  -8.297
   77   HD22  ASN  10          2HD2      ASN  10 -10.265  -3.840  -7.820
   78    H    TYR  11           H        TYR  11  -4.062  -2.358  -7.177
   79    HA   TYR  11           HA       TYR  11  -3.159   0.055  -8.577
   80    HB2  TYR  11           2HB      TYR  11  -4.026  -0.073  -5.703
   81    HB3  TYR  11           1HB      TYR  11  -2.851   1.127  -6.247
   82    HD1  TYR  11           1HD      TYR  11  -6.340  -0.028  -6.499
   83    HD2  TYR  11           2HD      TYR  11  -3.480   2.893  -7.823
   84    HE1  TYR  11           1HE      TYR  11  -8.181   1.370  -7.398
   85    HE2  TYR  11           2HE      TYR  11  -5.323   4.289  -8.721
   86    HH   TYR  11           HH       TYR  11  -7.641   3.999  -9.491
   87    HA   PRO  12           HA       PRO  12   0.399  -2.336  -6.589
   88    HB2  PRO  12           2HB      PRO  12   0.381  -4.613  -8.363
   89    HB3  PRO  12           1HB      PRO  12   0.106  -4.605  -6.611
   90    HG2  PRO  12           2HG      PRO  12  -1.814  -5.271  -8.416
   91    HG3  PRO  12           1HG      PRO  12  -2.165  -4.551  -6.835
   92    HD2  PRO  12           2HD      PRO  12  -1.968  -3.147  -9.510
   93    HD3  PRO  12           1HD      PRO  12  -3.252  -3.023  -8.285
   94    H    VAL  13           H        VAL  13   2.076  -1.165  -7.447
   95    HA   VAL  13           HA       VAL  13   2.616  -1.423 -10.341
   96    HB   VAL  13           HB       VAL  13   2.836   1.180  -8.837
   97   HG11  VAL  13          1HG1      VAL  13   2.622   0.622 -11.802
   98   HG12  VAL  13          2HG1      VAL  13   4.161   0.786 -10.959
   99   HG13  VAL  13          3HG1      VAL  13   3.042   2.148 -11.026
  100   HG21  VAL  13          3HG2      VAL  13   0.553   0.099 -10.512
  101   HG22  VAL  13          1HG2      VAL  13   0.721   1.792 -10.049
  102   HG23  VAL  13          2HG2      VAL  13   0.491   0.558  -8.810
  103    H    SER  14           H        SER  14   4.762  -1.350 -10.949
  104    HA   SER  14           HA       SER  14   6.734  -2.225  -9.192
  105    HB2  SER  14           2HB      SER  14   6.892  -2.272 -11.691
  106    HB3  SER  14           1HB      SER  14   7.176  -0.534 -11.667
  107    HG   SER  14           HG       SER  14   9.049  -2.116 -11.626
  108    H    LYS  15           H        LYS  15   5.663   1.013 -10.014
  109    HA   LYS  15           HA       LYS  15   7.720   2.527  -8.852
  110    HB2  LYS  15           2HB      LYS  15   4.757   3.127  -9.053
  111    HB3  LYS  15           1HB      LYS  15   5.996   4.309  -8.635
  112    HG2  LYS  15           2HG      LYS  15   7.132   3.820 -10.809
  113    HG3  LYS  15           1HG      LYS  15   5.788   2.758 -11.232
  114    HD2  LYS  15           2HD      LYS  15   4.227   4.690 -10.938
  115    HD3  LYS  15           1HD      LYS  15   5.624   5.733 -10.664
  116    HE2  LYS  15           2HE      LYS  15   6.498   5.181 -12.892
  117    HE3  LYS  15           1HE      LYS  15   5.140   4.092 -13.169
  118    HZ1  LYS  15           3HZ      LYS  15   4.653   6.906 -12.451
  119    HZ2  LYS  15           1HZ      LYS  15   3.655   5.830 -13.301
  120    HZ3  LYS  15           2HZ      LYS  15   5.026   6.492 -14.056
  121    H    CYS  16           H        CYS  16   5.095   0.717  -7.451
  122    HA   CYS  16           HA       CYS  16   5.036   1.922  -4.894
  123    HB2  CYS  16           2HB      CYS  16   4.463  -0.980  -5.538
  124    HB3  CYS  16           1HB      CYS  16   3.847  -0.044  -4.176
  125    H    GLN  17           H        GLN  17   7.209  -0.346  -6.393
  126    HA   GLN  17           HA       GLN  17   8.405  -1.671  -4.325
  127    HB2  GLN  17           2HB      GLN  17  10.397  -1.767  -5.635
  128    HB3  GLN  17           1HB      GLN  17   9.062  -1.696  -6.787
  129    HG2  GLN  17           2HG      GLN  17   9.400   0.862  -6.739
  130    HG3  GLN  17           1HG      GLN  17  10.953   0.511  -5.979
  131   HE21  GLN  17          1HE2      GLN  17  12.361   1.003  -7.726
  132   HE22  GLN  17          2HE2      GLN  17  12.304   0.204  -9.223
  133    H    LEU  18           H        LEU  18   8.181   1.701  -4.757
  134    HA   LEU  18           HA       LEU  18  10.363   2.248  -2.860
  135    HB2  LEU  18           2HB      LEU  18   8.772   3.964  -4.757
  136    HB3  LEU  18           1HB      LEU  18   9.704   4.680  -3.443
  137    HG   LEU  18           HG       LEU  18  11.031   2.661  -5.216
  138   HD11  LEU  18          1HD1      LEU  18  11.699   4.500  -6.748
  139   HD12  LEU  18          2HD1      LEU  18  10.609   5.590  -5.893
  140   HD13  LEU  18          3HD1      LEU  18   9.960   4.216  -6.788
  141   HD21  LEU  18          3HD2      LEU  18  12.991   4.091  -4.688
  142   HD22  LEU  18          1HD2      LEU  18  12.190   3.525  -3.223
  143   HD23  LEU  18          2HD2      LEU  18  11.941   5.179  -3.781
  144    H    ALA  19           H        ALA  19   9.615   1.840  -0.835
  145    HA   ALA  19           HA       ALA  19   7.079   1.980   0.179
  146    HB1  ALA  19           1HB      ALA  19   8.087   2.368   2.380
  147    HB2  ALA  19           2HB      ALA  19   9.598   2.852   1.611
  148    HB3  ALA  19           3HB      ALA  19   9.028   1.191   1.464
  149    H    ASN  20           H        ASN  20   8.925   4.570  -1.024
  150    HA   ASN  20           HA       ASN  20   7.626   6.645   0.531
  151    HB2  ASN  20           2HB      ASN  20   9.402   6.764  -1.919
  152    HB3  ASN  20           1HB      ASN  20   8.809   8.176  -1.045
  153   HD21  ASN  20          1HD2      ASN  20  11.624   6.814  -1.366
  154   HD22  ASN  20          2HD2      ASN  20  12.196   6.760   0.230
  155    H    GLN  21           H        GLN  21   7.511   5.435  -2.808
  156    HA   GLN  21           HA       GLN  21   5.499   7.177  -3.751
  157    HB2  GLN  21           2HB      GLN  21   6.240   4.370  -4.617
  158    HB3  GLN  21           1HB      GLN  21   5.167   5.446  -5.513
  159    HG2  GLN  21           2HG      GLN  21   7.999   6.191  -4.749
  160    HG3  GLN  21           1HG      GLN  21   7.575   5.462  -6.296
  161   HE21  GLN  21          1HE2      GLN  21   8.654   8.194  -5.870
  162   HE22  GLN  21          2HE2      GLN  21   7.483   9.261  -6.479
  163    H    CYS  22           H        CYS  22   5.383   4.040  -2.148
  164    HA   CYS  22           HA       CYS  22   2.703   3.386  -2.511
  165    HB2  CYS  22           2HB      CYS  22   4.456   2.853  -0.103
  166    HB3  CYS  22           1HB      CYS  22   2.940   2.027  -0.469
  167    H    ASN  23           H        ASN  23   4.110   4.997   0.356
  168    HA   ASN  23           HA       ASN  23   1.590   5.501   1.555
  169    HB2  ASN  23           2HB      ASN  23   2.774   6.660   3.223
  170    HB3  ASN  23           1HB      ASN  23   3.893   5.418   2.667
  171   HD21  ASN  23          1HD2      ASN  23   4.155   8.398   3.727
  172   HD22  ASN  23          2HD2      ASN  23   5.280   9.062   2.645
  173    H    TYR  24           H        TYR  24   3.745   7.554  -0.390
  174    HA   TYR  24           HA       TYR  24   2.201   9.921  -0.146
  175    HB2  TYR  24           2HB      TYR  24   4.415   8.968  -1.866
  176    HB3  TYR  24           1HB      TYR  24   3.427  10.276  -2.516
  177    HD1  TYR  24           2HD      TYR  24   3.310  12.452  -1.404
  178    HD2  TYR  24           1HD      TYR  24   5.741   9.277   0.165
  179    HE1  TYR  24           2HE      TYR  24   4.469  14.070   0.075
  180    HE2  TYR  24           1HE      TYR  24   6.899  10.896   1.645
  181    HH   TYR  24           HH       TYR  24   6.226  13.238   2.689
  182    H    ASP  25           H        ASP  25   2.393   7.514  -2.770
  183    HA   ASP  25           HA       ASP  25   0.381   8.656  -4.384
  184    HB2  ASP  25           2HB      ASP  25   1.256   5.769  -4.187
  185    HB3  ASP  25           1HB      ASP  25   0.325   6.470  -5.508
  186    H    CYS  26           H        CYS  26   0.219   6.079  -1.930
  187    HA   CYS  26           HA       CYS  26  -2.488   5.427  -2.243
  188    HB2  CYS  26           2HB      CYS  26  -0.659   5.326   0.159
  189    HB3  CYS  26           1HB      CYS  26  -2.313   4.712   0.195
  190    H    LYS  27           H        LYS  27  -0.932   7.875  -0.188
  191    HA   LYS  27           HA       LYS  27  -3.196   8.826   1.147
  192    HB2  LYS  27           2HB      LYS  27  -0.624  10.130   0.281
  193    HB3  LYS  27           1HB      LYS  27  -1.873  11.052   1.117
  194    HG2  LYS  27           2HG      LYS  27  -1.719   9.722   3.063
  195    HG3  LYS  27           1HG      LYS  27  -0.881   8.424   2.215
  196    HD2  LYS  27           2HD      LYS  27   0.708   9.677   3.600
  197    HD3  LYS  27           1HD      LYS  27   1.073   9.926   1.892
  198    HE2  LYS  27           2HE      LYS  27   0.085  12.095   1.891
  199    HE3  LYS  27           1HE      LYS  27  -0.691  11.822   3.451
  200    HZ1  LYS  27           3HZ      LYS  27   1.791  12.951   2.987
  201    HZ2  LYS  27           1HZ      LYS  27   2.100  11.426   3.662
  202    HZ3  LYS  27           2HZ      LYS  27   1.113  12.535   4.488
  203    H    LEU  28           H        LEU  28  -1.862   9.677  -2.015
  204    HA   LEU  28           HA       LEU  28  -3.775  11.711  -2.610
  205    HB2  LEU  28           2HB      LEU  28  -2.001  10.069  -4.435
  206    HB3  LEU  28           1HB      LEU  28  -2.910  11.500  -4.918
  207    HG   LEU  28           HG       LEU  28  -0.855  11.483  -2.690
  208   HD11  LEU  28          1HD1      LEU  28  -0.644  12.224  -5.617
  209   HD12  LEU  28          2HD1      LEU  28   0.347  11.073  -4.721
  210   HD13  LEU  28          3HD1      LEU  28   0.498  12.801  -4.404
  211   HD21  LEU  28          3HD2      LEU  28  -1.028  14.030  -3.372
  212   HD22  LEU  28          1HD2      LEU  28  -2.232  13.326  -2.291
  213   HD23  LEU  28          2HD2      LEU  28  -2.603  13.547  -4.001
  214    H    ASP  29           H        ASP  29  -3.562   8.246  -3.274
  215    HA   ASP  29           HA       ASP  29  -6.054   8.349  -4.812
  216    HB2  ASP  29           2HB      ASP  29  -4.038   6.152  -4.353
  217    HB3  ASP  29           1HB      ASP  29  -5.514   5.955  -5.296
  218    H    LYS  30           H        LYS  30  -4.755   6.170  -2.275
  219    HA   LYS  30           HA       LYS  30  -7.501   5.449  -1.593
  220    HB2  LYS  30           2HB      LYS  30  -4.971   4.315  -0.410
  221    HB3  LYS  30           1HB      LYS  30  -6.573   3.575  -0.477
  222    HG2  LYS  30           2HG      LYS  30  -4.747   4.168  -2.823
  223    HG3  LYS  30           1HG      LYS  30  -5.215   2.578  -2.220
  224    HD2  LYS  30           2HD      LYS  30  -7.635   3.276  -2.688
  225    HD3  LYS  30           1HD      LYS  30  -6.957   4.627  -3.598
  226    HE2  LYS  30           2HE      LYS  30  -6.481   1.680  -4.116
  227    HE3  LYS  30           1HE      LYS  30  -7.385   2.797  -5.138
  228    HZ1  LYS  30           3HZ      LYS  30  -5.509   3.385  -6.121
  229    HZ2  LYS  30           1HZ      LYS  30  -4.646   2.276  -5.169
  230    HZ3  LYS  30           2HZ      LYS  30  -4.846   3.877  -4.637
  231    H    HIS  31           H        HIS  31  -5.603   7.906  -0.623
  232    HA   HIS  31           HA       HIS  31  -5.559   9.253   1.244
  233    HB2  HIS  31           2HB      HIS  31  -8.118   7.800   1.943
  234    HB3  HIS  31           1HB      HIS  31  -7.613   9.393   2.506
  235    HD2  HIS  31           2HD      HIS  31  -7.153  11.202   0.065
  236    HE1  HIS  31           1HE      HIS  31 -10.347   9.330  -1.965
  237    HE2  HIS  31           2HE      HIS  31  -8.817  11.357  -1.941
  238    H    ALA  32           H        ALA  32  -4.500   6.368   1.370
  239    HA   ALA  32           HA       ALA  32  -4.825   5.428   4.024
  240    HB1  ALA  32           1HB      ALA  32  -2.284   5.014   2.477
  241    HB2  ALA  32           2HB      ALA  32  -3.780   4.260   1.928
  242    HB3  ALA  32           3HB      ALA  32  -3.142   3.889   3.531
  243    H    ARG  33           H        ARG  33  -3.414   5.630   5.830
  244    HA   ARG  33           HA       ARG  33  -2.377   8.277   6.174
  245    HB2  ARG  33           2HB      ARG  33  -2.147   5.829   7.935
  246    HB3  ARG  33           1HB      ARG  33  -1.690   7.466   8.408
  247    HG2  ARG  33           2HG      ARG  33  -4.081   8.149   7.764
  248    HG3  ARG  33           1HG      ARG  33  -4.447   6.423   7.745
  249    HD2  ARG  33           2HD      ARG  33  -3.333   6.411  10.104
  250    HD3  ARG  33           1HD      ARG  33  -3.615   8.149  10.065
  251    HE   ARG  33           HE       ARG  33  -5.586   6.137  10.510
  252   HH11  ARG  33          1HH2      ARG  33  -5.000   9.166   8.943
  253   HH12  ARG  33          2HH2      ARG  33  -6.653   9.681   9.018
  254   HH21  ARG  33          1HH1      ARG  33  -7.755   6.806  10.611
  255   HH22  ARG  33          2HH1      ARG  33  -8.212   8.346   9.962
  256    H    SER  34           H        SER  34  -0.865   5.060   5.949
  257    HA   SER  34           HA       SER  34   1.692   6.418   5.348
  258    HB2  SER  34           2HB      SER  34   2.231   5.628   7.424
  259    HB3  SER  34           1HB      SER  34   1.053   4.321   7.353
  260    HG   SER  34           HG       SER  34   3.662   4.466   6.360
  261    H    GLY  35           H        GLY  35  -0.662   4.426   4.157
  262    HA2  GLY  35           2HA      GLY  35  -0.636   2.596   2.676
  263    HA3  GLY  35           1HA      GLY  35   0.239   3.810   1.747
  264    H    GLU  36           H        GLU  36   0.411   0.759   3.226
  265    HA   GLU  36           HA       GLU  36   3.350   0.690   2.879
  266    HB2  GLU  36           2HB      GLU  36   1.684  -1.092   4.670
  267    HB3  GLU  36           1HB      GLU  36   3.444  -1.042   4.568
  268    HG2  GLU  36           2HG      GLU  36   2.884   0.260   6.486
  269    HG3  GLU  36           1HG      GLU  36   3.265   1.428   5.222
  270    H    CYS  37           H        CYS  37   4.156  -0.729   1.449
  271    HA   CYS  37           HA       CYS  37   2.251  -2.541   0.109
  272    HB2  CYS  37           2HB      CYS  37   4.696  -1.068  -0.789
  273    HB3  CYS  37           1HB      CYS  37   4.220  -2.548  -1.622
  274    H    PHE  38           H        PHE  38   2.654  -4.693  -0.099
  275    HA   PHE  38           HA       PHE  38   5.129  -5.736   1.138
  276    HB2  PHE  38           2HB      PHE  38   2.335  -6.877   1.395
  277    HB3  PHE  38           1HB      PHE  38   3.806  -7.628   2.015
  278    HD1  PHE  38           1HD      PHE  38   1.505  -4.753   2.355
  279    HD2  PHE  38           2HD      PHE  38   4.928  -6.778   3.979
  280    HE1  PHE  38           1HE      PHE  38   1.343  -3.378   4.413
  281    HE2  PHE  38           2HE      PHE  38   4.767  -5.402   6.035
  282    HZ   PHE  38           HZ       PHE  38   2.975  -3.703   6.253
  283    H    TYR  39           H        TYR  39   5.705  -7.920   0.396
  284    HA   TYR  39           HA       TYR  39   5.113  -8.207  -2.466
  285    HB2  TYR  39           2HB      TYR  39   7.188  -9.687  -0.839
  286    HB3  TYR  39           1HB      TYR  39   7.099  -9.545  -2.593
  287    HD1  TYR  39           1HD      TYR  39   7.437  -7.498   0.519
  288    HD2  TYR  39           2HD      TYR  39   8.183  -7.775  -3.702
  289    HE1  TYR  39           1HE      TYR  39   8.775  -5.412   0.619
  290    HE2  TYR  39           2HE      TYR  39   9.522  -5.690  -3.603
  291    HH   TYR  39           HH       TYR  39  10.634  -4.357  -0.735
  292    H    ASP  40           H        ASP  40   3.722  -9.697  -3.153
  293    HA   ASP  40           HA       ASP  40   2.829 -11.782  -1.292
  294    HB2  ASP  40           2HB      ASP  40   1.716 -10.628  -3.838
  295    HB3  ASP  40           1HB      ASP  40   1.118 -12.155  -3.192
  296    H    GLU  41           H        GLU  41   2.065 -13.827  -2.750
  297    HA   GLU  41           HA       GLU  41   4.455 -15.182  -3.417
  298    HB2  GLU  41           2HB      GLU  41   1.580 -15.862  -4.075
  299    HB3  GLU  41           1HB      GLU  41   2.945 -16.965  -4.253
  300    HG2  GLU  41           2HG      GLU  41   2.159 -15.631  -1.647
  301    HG3  GLU  41           1HG      GLU  41   1.702 -17.272  -2.099
  302    H    LYS  42           H        LYS  42   2.178 -13.322  -5.299
  303    HA   LYS  42           HA       LYS  42   3.112 -14.245  -7.863
  304    HB2  LYS  42           2HB      LYS  42   1.541 -11.744  -7.195
  305    HB3  LYS  42           1HB      LYS  42   1.694 -12.502  -8.780
  306    HG2  LYS  42           2HG      LYS  42   0.611 -14.551  -7.883
  307    HG3  LYS  42           1HG      LYS  42   0.403 -13.738  -6.331
  308    HD2  LYS  42           2HD      LYS  42  -0.894 -11.943  -7.520
  309    HD3  LYS  42           1HD      LYS  42  -0.808 -12.920  -8.986
  310    HE2  LYS  42           2HE      LYS  42  -2.024 -14.726  -7.935
  311    HE3  LYS  42           1HE      LYS  42  -1.959 -13.920  -6.367
  312    HZ1  LYS  42           3HZ      LYS  42  -3.166 -12.030  -7.523
  313    HZ2  LYS  42           1HZ      LYS  42  -4.064 -13.434  -7.203
  314    HZ3  LYS  42           2HZ      LYS  42  -3.487 -13.135  -8.773
  315    H    ARG  43           H        ARG  43   4.703 -12.607  -5.590
  316    HA   ARG  43           HA       ARG  43   6.538 -11.229  -5.574
  317    HB2  ARG  43           2HB      ARG  43   6.640 -11.544  -8.573
  318    HB3  ARG  43           1HB      ARG  43   7.977 -11.259  -7.458
  319    HG2  ARG  43           2HG      ARG  43   6.297 -13.776  -7.660
  320    HG3  ARG  43           1HG      ARG  43   7.995 -13.603  -8.105
  321    HD2  ARG  43           2HD      ARG  43   6.752 -13.670  -5.377
  322    HD3  ARG  43           1HD      ARG  43   8.175 -14.519  -5.972
  323    HE   ARG  43           HE       ARG  43   8.370 -11.605  -5.794
  324   HH11  ARG  43          1HH2      ARG  43   8.999 -14.730  -4.446
  325   HH12  ARG  43          2HH2      ARG  43  10.267 -14.178  -3.403
  326   HH21  ARG  43          1HH1      ARG  43  10.030 -10.873  -4.427
  327   HH22  ARG  43          2HH1      ARG  43  10.851 -11.994  -3.392
  328    H    ASN  44           H        ASN  44   3.702 -10.301  -6.326
  329    HA   ASN  44           HA       ASN  44   4.357  -7.776  -7.681
  330    HB2  ASN  44           2HB      ASN  44   2.097  -9.495  -7.710
  331    HB3  ASN  44           1HB      ASN  44   1.590  -7.981  -6.961
  332   HD21  ASN  44          1HD2      ASN  44   0.484  -6.998  -8.712
  333   HD22  ASN  44          2HD2      ASN  44   1.212  -6.654 -10.205
  334    H    LEU  45           H        LEU  45   3.792  -5.761  -6.749
  335    HA   LEU  45           HA       LEU  45   4.019  -5.746  -3.840
  336    HB2  LEU  45           2HB      LEU  45   3.884  -3.352  -5.676
  337    HB3  LEU  45           1HB      LEU  45   4.557  -3.437  -4.047
  338    HG   LEU  45           HG       LEU  45   5.637  -4.943  -6.448
  339   HD11  LEU  45          1HD1      LEU  45   6.241  -2.715  -6.855
  340   HD12  LEU  45          2HD1      LEU  45   7.617  -3.314  -5.928
  341   HD13  LEU  45          3HD1      LEU  45   6.379  -2.337  -5.137
  342   HD21  LEU  45          3HD2      LEU  45   6.444  -4.729  -3.544
  343   HD22  LEU  45          1HD2      LEU  45   7.607  -5.185  -4.789
  344   HD23  LEU  45          2HD2      LEU  45   6.184  -6.186  -4.502
  345    H    GLN  46           H        GLN  46   2.130  -6.095  -2.819
  346    HA   GLN  46           HA       GLN  46  -0.357  -5.000  -3.867
  347    HB2  GLN  46           2HB      GLN  46   0.269  -6.714  -1.453
  348    HB3  GLN  46           1HB      GLN  46  -1.355  -6.173  -1.882
  349    HG2  GLN  46           2HG      GLN  46   0.455  -7.741  -3.738
  350    HG3  GLN  46           1HG      GLN  46  -0.803  -8.469  -2.740
  351   HE21  GLN  46          1HE2      GLN  46  -0.958  -8.677  -5.564
  352   HE22  GLN  46          2HE2      GLN  46  -2.254  -7.728  -6.113
  353    H    CYS  47           H        CYS  47  -1.195  -3.113  -3.268
  354    HA   CYS  47           HA       CYS  47   0.118  -1.530  -1.223
  355    HB2  CYS  47           2HB      CYS  47  -2.333  -0.836  -2.853
  356    HB3  CYS  47           1HB      CYS  47  -1.271   0.278  -1.993
  357    H    ILE  48           H        ILE  48  -0.368  -1.997   0.840
  358    HA   ILE  48           HA       ILE  48  -3.174  -2.580   1.536
  359    HB   ILE  48           HB       ILE  48  -0.707  -2.985   3.238
  360   HG12  ILE  48          2HG1      ILE  48  -2.215  -4.907   1.438
  361   HG13  ILE  48          1HG1      ILE  48  -0.536  -4.398   1.259
  362   HG21  ILE  48          1HG2      ILE  48  -2.157  -4.294   4.638
  363   HG22  ILE  48          2HG2      ILE  48  -3.463  -4.219   3.454
  364   HG23  ILE  48          3HG2      ILE  48  -2.989  -2.767   4.336
  365   HD11  ILE  48          3HD1      ILE  48  -0.293  -5.317   3.710
  366   HD12  ILE  48          1HD1      ILE  48  -0.283  -6.443   2.352
  367   HD13  ILE  48          2HD1      ILE  48  -1.749  -6.226   3.309
  368    H    CYS  49           H        CYS  49  -4.188  -0.693   1.933
  369    HA   CYS  49           HA       CYS  49  -2.855   1.561   3.139
  370    HB2  CYS  49           2HB      CYS  49  -5.800   1.095   2.633
  371    HB3  CYS  49           1HB      CYS  49  -5.044   2.639   3.025
  372    H    ASP  50           H        ASP  50  -2.775   2.120   5.234
  373    HA   ASP  50           HA       ASP  50  -4.222   0.411   7.163
  374    HB2  ASP  50           2HB      ASP  50  -2.495   0.855   8.735
  375    HB3  ASP  50           1HB      ASP  50  -1.679   0.507   7.210
  376    H    TYR  51           H        TYR  51  -5.374   1.326   8.857
  377    HA   TYR  51           HA       TYR  51  -5.860   4.236   8.623
  378    HB2  TYR  51           2HB      TYR  51  -7.701   2.000   9.502
  379    HB3  TYR  51           1HB      TYR  51  -8.053   3.703   9.783
  380    HD1  TYR  51           1HD      TYR  51  -6.867   1.517   6.972
  381    HD2  TYR  51           2HD      TYR  51  -9.379   4.774   8.206
  382    HE1  TYR  51           1HE      TYR  51  -7.743   1.715   4.662
  383    HE2  TYR  51           2HE      TYR  51 -10.256   4.974   5.895
  384    HH   TYR  51           HH       TYR  51 -10.148   4.214   3.820
  385    H    CYS  52           H        CYS  52  -4.408   5.033  10.089
  386    HA   CYS  52           HA       CYS  52  -3.881   5.789  12.214
  387    HB2  CYS  52           2HB      CYS  52  -5.624   3.660  13.419
  388    HB3  CYS  52           1HB      CYS  52  -5.218   5.253  14.057
  389    H    GLU  53           H        GLU  53  -4.485   2.324  12.810
  390    HA   GLU  53           HA       GLU  53  -1.896   2.036  14.048
  391    HB2  GLU  53           2HB      GLU  53  -4.075   0.039  13.405
  392    HB3  GLU  53           1HB      GLU  53  -2.590  -0.364  14.270
  393    HG2  GLU  53           2HG      GLU  53  -4.148   0.088  15.990
  394    HG3  GLU  53           1HG      GLU  53  -3.214   1.576  15.857
  395    H    TYR  54           H        TYR  54  -0.058   1.334  13.160
  396    HA   TYR  54           HA       TYR  54  -0.038  -0.360  10.815
  397    HB2  TYR  54           2HB      TYR  54   1.068   1.130   9.320
  398    HB3  TYR  54           1HB      TYR  54  -0.327   2.012   9.941
  399    HD1  TYR  54           1HD      TYR  54   3.345   1.656  10.103
  400    HD2  TYR  54           2HD      TYR  54  -0.067   3.877  11.474
  401    HE1  TYR  54           1HE      TYR  54   4.847   3.424  10.978
  402    HE2  TYR  54           2HE      TYR  54   1.436   5.645  12.349
  403    HH   TYR  54           HH       TYR  54   4.730   5.213  12.770
  Start of MODEL   17
    1    H1   ASP   2           H        ASP   2  -6.743  -6.080  13.242
    2    HA   ASP   2           HA       ASP   2  -4.698  -5.302  11.245
    3    HB2  ASP   2           2HB      ASP   2  -5.310  -7.303   9.963
    4    HB3  ASP   2           1HB      ASP   2  -4.743  -7.739  11.574
    5    H    LYS   3           H        LYS   3  -7.880  -4.958  12.295
    6    HA   LYS   3           HA       LYS   3  -9.348  -4.749   9.920
    7    HB2  LYS   3           2HB      LYS   3  -9.639  -3.224  12.520
    8    HB3  LYS   3           1HB      LYS   3 -10.841  -3.238  11.229
    9    HG2  LYS   3           2HG      LYS   3 -10.951  -5.728  11.416
   10    HG3  LYS   3           1HG      LYS   3  -9.847  -5.641  12.790
   11    HD2  LYS   3           2HD      LYS   3 -11.473  -4.152  13.957
   12    HD3  LYS   3           1HD      LYS   3 -12.592  -4.365  12.610
   13    HE2  LYS   3           2HE      LYS   3 -11.461  -6.662  14.229
   14    HE3  LYS   3           1HE      LYS   3 -13.023  -5.912  14.556
   15    HZ1  LYS   3           3HZ      LYS   3 -13.949  -6.839  12.749
   16    HZ2  LYS   3           1HZ      LYS   3 -12.699  -7.973  12.911
   17    HZ3  LYS   3           2HZ      LYS   3 -12.546  -6.694  11.803
   18    H    CYS   4           H        CYS   4  -7.188  -2.470  11.512
   19    HA   CYS   4           HA       CYS   4  -7.849  -0.164  10.035
   20    HB2  CYS   4           2HB      CYS   4  -5.056  -0.768  10.977
   21    HB3  CYS   4           1HB      CYS   4  -5.888   0.785  10.914
   22    H    LYS   5           H        LYS   5  -6.089  -3.016   9.193
   23    HA   LYS   5           HA       LYS   5  -4.765  -1.776   6.912
   24    HB2  LYS   5           2HB      LYS   5  -4.898  -4.696   7.687
   25    HB3  LYS   5           1HB      LYS   5  -3.792  -3.960   6.528
   26    HG2  LYS   5           2HG      LYS   5  -3.921  -3.220   9.465
   27    HG3  LYS   5           1HG      LYS   5  -2.753  -4.345   8.775
   28    HD2  LYS   5           2HD      LYS   5  -2.194  -2.417   7.127
   29    HD3  LYS   5           1HD      LYS   5  -3.013  -1.382   8.298
   30    HE2  LYS   5           2HE      LYS   5  -0.659  -1.390   8.848
   31    HE3  LYS   5           1HE      LYS   5  -1.501  -2.334  10.077
   32    HZ1  LYS   5           3HZ      LYS   5   0.287  -3.230   7.941
   33    HZ2  LYS   5           1HZ      LYS   5  -0.979  -4.262   8.396
   34    HZ3  LYS   5           2HZ      LYS   5   0.165  -3.764   9.549
   35    H    LYS   6           H        LYS   6  -5.393  -1.906   4.828
   36    HA   LYS   6           HA       LYS   6  -7.553  -3.744   4.080
   37    HB2  LYS   6           2HB      LYS   6  -7.650  -0.737   3.812
   38    HB3  LYS   6           1HB      LYS   6  -8.595  -1.795   2.764
   39    HG2  LYS   6           2HG      LYS   6  -9.751  -2.759   4.645
   40    HG3  LYS   6           1HG      LYS   6  -8.681  -1.946   5.788
   41    HD2  LYS   6           2HD      LYS   6 -10.869  -0.785   5.574
   42    HD3  LYS   6           1HD      LYS   6  -9.524   0.238   5.067
   43    HE2  LYS   6           2HE      LYS   6 -11.629   0.108   3.536
   44    HE3  LYS   6           1HE      LYS   6 -10.036  -0.000   2.786
   45    HZ1  LYS   6           3HZ      LYS   6 -11.405  -1.735   1.926
   46    HZ2  LYS   6           1HZ      LYS   6 -11.840  -2.253   3.482
   47    HZ3  LYS   6           2HZ      LYS   6 -10.242  -2.446   2.940
   48    H    VAL   7           H        VAL   7  -6.980  -4.773   2.285
   49    HA   VAL   7           HA       VAL   7  -4.675  -3.895   0.775
   50    HB   VAL   7           HB       VAL   7  -4.931  -6.258   1.265
   51   HG11  VAL   7          1HG1      VAL   7  -7.479  -6.070  -0.371
   52   HG12  VAL   7          2HG1      VAL   7  -7.407  -6.277   1.378
   53   HG13  VAL   7          3HG1      VAL   7  -6.799  -7.546   0.314
   54   HG21  VAL   7          3HG2      VAL   7  -5.498  -5.853  -1.682
   55   HG22  VAL   7          1HG2      VAL   7  -4.521  -7.116  -0.936
   56   HG23  VAL   7          2HG2      VAL   7  -3.946  -5.448  -0.949
   57    H    TYR   8           H        TYR   8  -4.609  -3.100  -1.262
   58    HA   TYR   8           HA       TYR   8  -7.205  -2.567  -2.579
   59    HB2  TYR   8           2HB      TYR   8  -4.801  -0.844  -2.155
   60    HB3  TYR   8           1HB      TYR   8  -5.724  -0.643  -3.646
   61    HD1  TYR   8           2HD      TYR   8  -8.050   0.119  -3.603
   62    HD2  TYR   8           1HD      TYR   8  -5.797  -0.355   0.024
   63    HE1  TYR   8           2HE      TYR   8  -9.770   1.408  -2.365
   64    HE2  TYR   8           1HE      TYR   8  -7.518   0.932   1.261
   65    HH   TYR   8           HH       TYR   8 -10.336   1.345   0.595
   66    H    GLU   9           H        GLU   9  -7.123  -4.446  -3.843
   67    HA   GLU   9           HA       GLU   9  -4.868  -5.134  -5.459
   68    HB2  GLU   9           2HB      GLU   9  -7.778  -5.932  -5.708
   69    HB3  GLU   9           1HB      GLU   9  -6.435  -6.682  -6.573
   70    HG2  GLU   9           2HG      GLU   9  -6.637  -8.101  -4.738
   71    HG3  GLU   9           1HG      GLU   9  -5.419  -6.964  -4.164
   72    H    ASN  10           H        ASN  10  -5.002  -5.231  -7.865
   73    HA   ASN  10           HA       ASN  10  -5.268  -4.235  -9.923
   74    HB2  ASN  10           2HB      ASN  10  -7.463  -2.501  -8.831
   75    HB3  ASN  10           1HB      ASN  10  -7.285  -3.183 -10.447
   76   HD21  ASN  10          1HD2      ASN  10  -9.727  -3.634  -9.293
   77   HD22  ASN  10          2HD2      ASN  10  -9.858  -5.235  -8.748
   78    H    TYR  11           H        TYR  11  -4.326  -2.779  -7.131
   79    HA   TYR  11           HA       TYR  11  -3.723  -0.239  -8.504
   80    HB2  TYR  11           2HB      TYR  11  -4.359  -0.911  -5.683
   81    HB3  TYR  11           1HB      TYR  11  -3.186   0.378  -5.958
   82    HD1  TYR  11           1HD      TYR  11  -6.675  -0.694  -6.442
   83    HD2  TYR  11           2HD      TYR  11  -3.818   2.445  -7.111
   84    HE1  TYR  11           1HE      TYR  11  -8.519   0.865  -7.010
   85    HE2  TYR  11           2HE      TYR  11  -5.663   4.003  -7.677
   86    HH   TYR  11           HH       TYR  11  -8.831   2.952  -8.299
   87    HA   PRO  12           HA       PRO  12   0.281  -2.339  -6.308
   88    HB2  PRO  12           2HB      PRO  12  -0.016  -4.526  -8.351
   89    HB3  PRO  12           1HB      PRO  12   0.684  -4.607  -6.724
   90    HG2  PRO  12           2HG      PRO  12  -1.747  -5.588  -7.233
   91    HG3  PRO  12           1HG      PRO  12  -1.378  -4.780  -5.699
   92    HD2  PRO  12           2HD      PRO  12  -3.006  -3.784  -7.986
   93    HD3  PRO  12           1HD      PRO  12  -3.100  -3.351  -6.263
   94    H    VAL  13           H        VAL  13   1.892  -1.109  -7.199
   95    HA   VAL  13           HA       VAL  13   2.163  -1.088 -10.144
   96    HB   VAL  13           HB       VAL  13   2.595   1.332  -8.399
   97   HG11  VAL  13          1HG1      VAL  13   2.688   2.527 -10.451
   98   HG12  VAL  13          2HG1      VAL  13   2.021   1.172 -11.360
   99   HG13  VAL  13          3HG1      VAL  13   3.662   1.084 -10.719
  100   HG21  VAL  13          3HG2      VAL  13   0.108   0.196  -9.584
  101   HG22  VAL  13          1HG2      VAL  13   0.341   1.938  -9.731
  102   HG23  VAL  13          2HG2      VAL  13   0.314   1.183  -8.137
  103    H    SER  14           H        SER  14   4.230  -1.054 -10.948
  104    HA   SER  14           HA       SER  14   6.349  -2.097  -9.486
  105    HB2  SER  14           2HB      SER  14   7.779  -1.394 -11.314
  106    HB3  SER  14           1HB      SER  14   6.240  -1.930 -11.982
  107    HG   SER  14           HG       SER  14   7.006   0.753 -11.427
  108    H    LYS  15           H        LYS  15   5.188   1.176  -9.791
  109    HA   LYS  15           HA       LYS  15   7.450   2.522  -8.710
  110    HB2  LYS  15           2HB      LYS  15   4.518   3.291  -8.743
  111    HB3  LYS  15           1HB      LYS  15   5.838   4.372  -8.293
  112    HG2  LYS  15           2HG      LYS  15   6.860   3.991 -10.541
  113    HG3  LYS  15           1HG      LYS  15   5.450   3.027 -10.984
  114    HD2  LYS  15           2HD      LYS  15   4.002   5.010 -10.485
  115    HD3  LYS  15           1HD      LYS  15   5.463   5.959 -10.205
  116    HE2  LYS  15           2HE      LYS  15   6.173   5.711 -12.473
  117    HE3  LYS  15           1HE      LYS  15   4.973   4.459 -12.785
  118    HZ1  LYS  15           3HZ      LYS  15   3.404   5.970 -13.173
  119    HZ2  LYS  15           1HZ      LYS  15   4.659   7.105 -13.285
  120    HZ3  LYS  15           2HZ      LYS  15   3.826   6.903 -11.819
  121    H    CYS  16           H        CYS  16   4.820   0.715  -7.335
  122    HA   CYS  16           HA       CYS  16   4.810   1.741  -4.718
  123    HB2  CYS  16           2HB      CYS  16   4.275  -1.098  -5.639
  124    HB3  CYS  16           1HB      CYS  16   3.812  -0.415  -4.080
  125    H    GLN  17           H        GLN  17   7.030  -0.369  -6.375
  126    HA   GLN  17           HA       GLN  17   8.306  -1.739  -4.371
  127    HB2  GLN  17           2HB      GLN  17  10.289  -1.709  -5.735
  128    HB3  GLN  17           1HB      GLN  17   8.901  -1.751  -6.824
  129    HG2  GLN  17           2HG      GLN  17   9.063   0.820  -6.840
  130    HG3  GLN  17           1HG      GLN  17  10.663   0.599  -6.133
  131   HE21  GLN  17          1HE2      GLN  17  11.985   1.131  -7.929
  132   HE22  GLN  17          2HE2      GLN  17  11.925   0.307  -9.411
  133    H    LEU  18           H        LEU  18   7.969   1.627  -4.686
  134    HA   LEU  18           HA       LEU  18  10.182   2.156  -2.809
  135    HB2  LEU  18           2HB      LEU  18   8.661   3.872  -4.753
  136    HB3  LEU  18           1HB      LEU  18   9.522   4.603  -3.399
  137    HG   LEU  18           HG       LEU  18  10.953   2.588  -5.093
  138   HD11  LEU  18          1HD1      LEU  18  10.069   4.016  -6.803
  139   HD12  LEU  18          2HD1      LEU  18  11.718   4.566  -6.511
  140   HD13  LEU  18          3HD1      LEU  18  10.357   5.462  -5.837
  141   HD21  LEU  18          3HD2      LEU  18  11.997   3.491  -3.048
  142   HD22  LEU  18          1HD2      LEU  18  11.771   5.132  -3.652
  143   HD23  LEU  18          2HD2      LEU  18  12.872   4.032  -4.481
  144    H    ALA  19           H        ALA  19   9.394   1.743  -0.798
  145    HA   ALA  19           HA       ALA  19   6.842   1.937   0.176
  146    HB1  ALA  19           1HB      ALA  19   7.812   2.231   2.392
  147    HB2  ALA  19           2HB      ALA  19   9.340   2.749   1.680
  148    HB3  ALA  19           3HB      ALA  19   8.787   1.089   1.465
  149    H    ASN  20           H        ASN  20   8.759   4.481  -0.991
  150    HA   ASN  20           HA       ASN  20   7.466   6.572   0.564
  151    HB2  ASN  20           2HB      ASN  20   9.385   6.655  -1.775
  152    HB3  ASN  20           1HB      ASN  20   8.753   8.089  -0.968
  153   HD21  ASN  20          1HD2      ASN  20  11.567   6.705  -1.071
  154   HD22  ASN  20          2HD2      ASN  20  12.025   6.664   0.563
  155    H    GLN  21           H        GLN  21   7.467   5.390  -2.785
  156    HA   GLN  21           HA       GLN  21   5.566   7.211  -3.810
  157    HB2  GLN  21           2HB      GLN  21   6.247   4.382  -4.658
  158    HB3  GLN  21           1HB      GLN  21   5.254   5.497  -5.597
  159    HG2  GLN  21           2HG      GLN  21   8.072   6.140  -4.700
  160    HG3  GLN  21           1HG      GLN  21   7.693   5.434  -6.270
  161   HE21  GLN  21          1HE2      GLN  21   8.758   8.209  -5.509
  162   HE22  GLN  21          2HE2      GLN  21   7.692   9.285  -6.276
  163    H    CYS  22           H        CYS  22   5.257   4.053  -2.264
  164    HA   CYS  22           HA       CYS  22   2.548   3.564  -2.757
  165    HB2  CYS  22           2HB      CYS  22   4.629   2.476  -1.089
  166    HB3  CYS  22           1HB      CYS  22   3.107   2.546  -0.198
  167    H    ASN  23           H        ASN  23   3.978   4.888   0.243
  168    HA   ASN  23           HA       ASN  23   1.493   5.444   1.458
  169    HB2  ASN  23           2HB      ASN  23   2.725   6.543   3.151
  170    HB3  ASN  23           1HB      ASN  23   3.769   5.247   2.574
  171   HD21  ASN  23          1HD2      ASN  23   4.217   8.178   3.689
  172   HD22  ASN  23          2HD2      ASN  23   5.374   8.798   2.614
  173    H    TYR  24           H        TYR  24   3.695   7.535  -0.398
  174    HA   TYR  24           HA       TYR  24   2.193   9.918  -0.058
  175    HB2  TYR  24           2HB      TYR  24   4.393   8.996  -1.814
  176    HB3  TYR  24           1HB      TYR  24   3.432  10.351  -2.408
  177    HD1  TYR  24           2HD      TYR  24   3.362  12.479  -1.207
  178    HD2  TYR  24           1HD      TYR  24   5.714   9.188   0.237
  179    HE1  TYR  24           2HE      TYR  24   4.549  14.008   0.343
  180    HE2  TYR  24           1HE      TYR  24   6.901  10.717   1.787
  181    HH   TYR  24           HH       TYR  24   6.597  14.148   1.576
  182    H    ASP  25           H        ASP  25   2.368   7.649  -2.807
  183    HA   ASP  25           HA       ASP  25   0.356   8.875  -4.351
  184    HB2  ASP  25           2HB      ASP  25   1.209   5.975  -4.297
  185    HB3  ASP  25           1HB      ASP  25   0.282   6.748  -5.581
  186    H    CYS  26           H        CYS  26   0.188   6.210  -1.998
  187    HA   CYS  26           HA       CYS  26  -2.527   5.583  -2.322
  188    HB2  CYS  26           2HB      CYS  26  -0.684   5.385   0.062
  189    HB3  CYS  26           1HB      CYS  26  -2.343   4.787   0.091
  190    H    LYS  27           H        LYS  27  -0.951   7.919  -0.146
  191    HA   LYS  27           HA       LYS  27  -3.180   8.847   1.230
  192    HB2  LYS  27           2HB      LYS  27  -0.626  10.172   0.347
  193    HB3  LYS  27           1HB      LYS  27  -1.861  11.082   1.215
  194    HG2  LYS  27           2HG      LYS  27  -1.680   9.726   3.138
  195    HG3  LYS  27           1HG      LYS  27  -0.866   8.434   2.257
  196    HD2  LYS  27           2HD      LYS  27   1.134   9.780   2.009
  197    HD3  LYS  27           1HD      LYS  27   0.324  11.185   2.702
  198    HE2  LYS  27           2HE      LYS  27   1.578  10.294   4.501
  199    HE3  LYS  27           1HE      LYS  27  -0.060   9.706   4.781
  200    HZ1  LYS  27           3HZ      LYS  27   2.130   8.200   3.457
  201    HZ2  LYS  27           1HZ      LYS  27   0.546   7.633   3.679
  202    HZ3  LYS  27           2HZ      LYS  27   1.538   7.928   5.026
  203    H    LEU  28           H        LEU  28  -1.924   9.783  -1.940
  204    HA   LEU  28           HA       LEU  28  -3.847  11.835  -2.435
  205    HB2  LEU  28           2HB      LEU  28  -2.146  10.232  -4.360
  206    HB3  LEU  28           1HB      LEU  28  -3.038  11.699  -4.759
  207    HG   LEU  28           HG       LEU  28  -0.906  11.542  -2.611
  208   HD11  LEU  28          1HD1      LEU  28   0.504  12.775  -4.224
  209   HD12  LEU  28          2HD1      LEU  28  -0.767  12.634  -5.439
  210   HD13  LEU  28          3HD1      LEU  28   0.056  11.190  -4.853
  211   HD21  LEU  28          3HD2      LEU  28  -2.680  13.693  -3.731
  212   HD22  LEU  28          1HD2      LEU  28  -1.071  14.126  -3.150
  213   HD23  LEU  28          2HD2      LEU  28  -2.234  13.379  -2.054
  214    H    ASP  29           H        ASP  29  -3.591   8.424  -3.406
  215    HA   ASP  29           HA       ASP  29  -6.219   8.591  -4.694
  216    HB2  ASP  29           2HB      ASP  29  -4.086   6.456  -4.686
  217    HB3  ASP  29           1HB      ASP  29  -5.641   6.289  -5.498
  218    H    LYS  30           H        LYS  30  -4.598   6.239  -2.521
  219    HA   LYS  30           HA       LYS  30  -7.178   5.157  -1.777
  220    HB2  LYS  30           2HB      LYS  30  -4.352   4.471  -0.969
  221    HB3  LYS  30           1HB      LYS  30  -5.777   3.604  -0.389
  222    HG2  LYS  30           2HG      LYS  30  -6.402   2.999  -2.657
  223    HG3  LYS  30           1HG      LYS  30  -5.108   4.000  -3.319
  224    HD2  LYS  30           2HD      LYS  30  -3.489   2.545  -1.969
  225    HD3  LYS  30           1HD      LYS  30  -4.846   1.446  -1.721
  226    HE2  LYS  30           2HE      LYS  30  -3.753   0.613  -3.654
  227    HE3  LYS  30           1HE      LYS  30  -5.139   1.508  -4.279
  228    HZ1  LYS  30           3HZ      LYS  30  -2.812   3.142  -3.896
  229    HZ2  LYS  30           1HZ      LYS  30  -3.821   2.997  -5.251
  230    HZ3  LYS  30           2HZ      LYS  30  -2.558   1.886  -5.010
  231    H    HIS  31           H        HIS  31  -5.528   7.807  -0.684
  232    HA   HIS  31           HA       HIS  31  -5.694   9.096   1.217
  233    HB2  HIS  31           2HB      HIS  31  -8.126   7.393   1.793
  234    HB3  HIS  31           1HB      HIS  31  -7.797   9.020   2.388
  235    HD2  HIS  31           2HD      HIS  31  -7.447  10.904  -0.006
  236    HE1  HIS  31           1HE      HIS  31 -10.352   8.746  -2.181
  237    HE2  HIS  31           2HE      HIS  31  -9.045  10.919  -2.073
  238    H    ALA  32           H        ALA  32  -4.384   6.308   1.297
  239    HA   ALA  32           HA       ALA  32  -4.721   5.303   3.939
  240    HB1  ALA  32           1HB      ALA  32  -3.613   4.185   1.860
  241    HB2  ALA  32           2HB      ALA  32  -2.940   3.864   3.459
  242    HB3  ALA  32           3HB      ALA  32  -2.157   5.030   2.391
  243    H    ARG  33           H        ARG  33  -3.316   5.544   5.754
  244    HA   ARG  33           HA       ARG  33  -2.299   8.242   6.025
  245    HB2  ARG  33           2HB      ARG  33  -2.177   5.974   8.021
  246    HB3  ARG  33           1HB      ARG  33  -1.977   7.696   8.352
  247    HG2  ARG  33           2HG      ARG  33  -4.497   6.541   7.134
  248    HG3  ARG  33           1HG      ARG  33  -4.284   6.762   8.871
  249    HD2  ARG  33           2HD      ARG  33  -3.699   9.195   8.341
  250    HD3  ARG  33           1HD      ARG  33  -4.309   8.883   6.719
  251    HE   ARG  33           HE       ARG  33  -6.143   8.156   8.846
  252   HH11  ARG  33          1HH2      ARG  33  -4.984  10.608   6.696
  253   HH12  ARG  33          2HH2      ARG  33  -6.446  11.534   6.741
  254   HH21  ARG  33          1HH1      ARG  33  -8.066   9.366   8.910
  255   HH22  ARG  33          2HH1      ARG  33  -8.191  10.831   7.994
  256    H    SER  34           H        SER  34  -0.959   4.976   5.867
  257    HA   SER  34           HA       SER  34   1.728   6.182   5.619
  258    HB2  SER  34           2HB      SER  34   1.485   3.497   6.857
  259    HB3  SER  34           1HB      SER  34   2.642   4.786   7.175
  260    HG   SER  34           HG       SER  34  -0.057   5.220   7.768
  261    H    GLY  35           H        GLY  35  -0.624   4.260   4.204
  262    HA2  GLY  35           2HA      GLY  35  -0.542   2.490   2.669
  263    HA3  GLY  35           1HA      GLY  35   0.452   3.683   1.838
  264    H    GLU  36           H        GLU  36   0.394   0.631   3.376
  265    HA   GLU  36           HA       GLU  36   3.342   0.456   3.339
  266    HB2  GLU  36           2HB      GLU  36   1.271  -1.262   4.727
  267    HB3  GLU  36           1HB      GLU  36   3.000  -1.611   4.711
  268    HG2  GLU  36           2HG      GLU  36   2.851  -0.406   6.684
  269    HG3  GLU  36           1HG      GLU  36   3.172   0.902   5.547
  270    H    CYS  37           H        CYS  37   4.354  -0.930   1.983
  271    HA   CYS  37           HA       CYS  37   2.641  -2.490   0.148
  272    HB2  CYS  37           2HB      CYS  37   5.264  -2.198  -0.898
  273    HB3  CYS  37           1HB      CYS  37   3.765  -1.492  -1.502
  274    H    PHE  38           H        PHE  38   2.963  -4.627  -0.101
  275    HA   PHE  38           HA       PHE  38   5.364  -5.840   1.116
  276    HB2  PHE  38           2HB      PHE  38   2.524  -6.860   1.387
  277    HB3  PHE  38           1HB      PHE  38   3.971  -7.692   1.958
  278    HD1  PHE  38           1HD      PHE  38   1.719  -4.829   2.483
  279    HD2  PHE  38           2HD      PHE  38   5.241  -6.859   3.871
  280    HE1  PHE  38           1HE      PHE  38   1.648  -3.516   4.585
  281    HE2  PHE  38           2HE      PHE  38   5.170  -5.545   5.973
  282    HZ   PHE  38           HZ       PHE  38   3.373  -3.873   6.331
  283    H    TYR  39           H        TYR  39   5.809  -8.024   0.284
  284    HA   TYR  39           HA       TYR  39   5.175  -8.170  -2.575
  285    HB2  TYR  39           2HB      TYR  39   7.192  -9.694  -0.908
  286    HB3  TYR  39           1HB      TYR  39   7.003  -9.831  -2.656
  287    HD1  TYR  39           1HD      TYR  39   7.851  -7.477   0.097
  288    HD2  TYR  39           2HD      TYR  39   7.917  -8.199  -4.136
  289    HE1  TYR  39           1HE      TYR  39   9.311  -5.498  -0.217
  290    HE2  TYR  39           2HE      TYR  39   9.376  -6.219  -4.451
  291    HH   TYR  39           HH       TYR  39  10.652  -4.420  -1.684
  292    H    ASP  40           H        ASP  40   3.935  -9.728  -3.456
  293    HA   ASP  40           HA       ASP  40   2.777 -11.727  -1.620
  294    HB2  ASP  40           2HB      ASP  40   0.928 -11.869  -3.222
  295    HB3  ASP  40           1HB      ASP  40   1.169 -10.204  -2.699
  296    H    GLU  41           H        GLU  41   1.894 -13.667  -3.146
  297    HA   GLU  41           HA       GLU  41   4.216 -15.124  -3.885
  298    HB2  GLU  41           2HB      GLU  41   1.289 -15.663  -4.433
  299    HB3  GLU  41           1HB      GLU  41   2.591 -16.818  -4.714
  300    HG2  GLU  41           2HG      GLU  41   1.737 -17.362  -2.562
  301    HG3  GLU  41           1HG      GLU  41   3.224 -16.468  -2.255
  302    H    LYS  42           H        LYS  42   1.934 -13.159  -5.661
  303    HA   LYS  42           HA       LYS  42   2.816 -14.061  -8.263
  304    HB2  LYS  42           2HB      LYS  42   1.193 -11.611  -7.538
  305    HB3  LYS  42           1HB      LYS  42   1.336 -12.348  -9.135
  306    HG2  LYS  42           2HG      LYS  42   0.336 -14.441  -8.222
  307    HG3  LYS  42           1HG      LYS  42   0.109 -13.625  -6.674
  308    HD2  LYS  42           2HD      LYS  42  -1.244 -11.876  -7.876
  309    HD3  LYS  42           1HD      LYS  42  -1.141 -12.871  -9.329
  310    HE2  LYS  42           2HE      LYS  42  -3.220 -13.431  -8.270
  311    HE3  LYS  42           1HE      LYS  42  -2.121 -14.774  -7.956
  312    HZ1  LYS  42           3HZ      LYS  42  -1.864 -14.176  -5.773
  313    HZ2  LYS  42           1HZ      LYS  42  -3.481 -13.730  -6.028
  314    HZ3  LYS  42           2HZ      LYS  42  -2.261 -12.547  -6.044
  315    H    ARG  43           H        ARG  43   4.517 -12.552  -6.063
  316    HA   ARG  43           HA       ARG  43   6.335 -11.152  -6.074
  317    HB2  ARG  43           2HB      ARG  43   6.158 -11.360  -9.088
  318    HB3  ARG  43           1HB      ARG  43   7.575 -10.919  -8.134
  319    HG2  ARG  43           2HG      ARG  43   7.808 -13.109  -7.259
  320    HG3  ARG  43           1HG      ARG  43   6.174 -13.564  -7.739
  321    HD2  ARG  43           2HD      ARG  43   8.480 -12.974  -9.614
  322    HD3  ARG  43           1HD      ARG  43   7.814 -14.566  -9.264
  323    HE   ARG  43           HE       ARG  43   5.790 -12.785 -10.221
  324   HH11  ARG  43          1HH2      ARG  43   8.494 -14.730 -11.158
  325   HH12  ARG  43          2HH2      ARG  43   7.920 -14.996 -12.771
  326   HH21  ARG  43          1HH1      ARG  43   5.031 -13.128 -12.333
  327   HH22  ARG  43          2HH1      ARG  43   5.960 -14.089 -13.436
  328    H    ASN  44           H        ASN  44   3.408 -10.238  -6.682
  329    HA   ASN  44           HA       ASN  44   3.952  -7.598  -7.831
  330    HB2  ASN  44           2HB      ASN  44   1.712  -9.337  -7.812
  331    HB3  ASN  44           1HB      ASN  44   1.253  -7.898  -6.903
  332   HD21  ASN  44          1HD2      ASN  44  -0.003  -6.793  -8.469
  333   HD22  ASN  44          2HD2      ASN  44   0.596  -6.318  -9.984
  334    H    LEU  45           H        LEU  45   3.454  -5.662  -6.715
  335    HA   LEU  45           HA       LEU  45   3.951  -5.840  -3.850
  336    HB2  LEU  45           2HB      LEU  45   3.570  -3.354  -5.530
  337    HB3  LEU  45           1HB      LEU  45   4.335  -3.473  -3.946
  338    HG   LEU  45           HG       LEU  45   5.346  -4.758  -6.501
  339   HD11  LEU  45          1HD1      LEU  45   5.867  -2.462  -6.653
  340   HD12  LEU  45          2HD1      LEU  45   7.314  -3.164  -5.928
  341   HD13  LEU  45          3HD1      LEU  45   6.142  -2.318  -4.917
  342   HD21  LEU  45          3HD2      LEU  45   6.202  -4.893  -3.615
  343   HD22  LEU  45          1HD2      LEU  45   7.391  -5.088  -4.905
  344   HD23  LEU  45          2HD2      LEU  45   6.032  -6.205  -4.780
  345    H    GLN  46           H        GLN  46   2.185  -6.349  -2.682
  346    HA   GLN  46           HA       GLN  46  -0.453  -5.422  -3.393
  347    HB2  GLN  46           2HB      GLN  46   0.645  -6.971  -1.044
  348    HB3  GLN  46           1HB      GLN  46  -1.052  -6.503  -1.167
  349    HG2  GLN  46           2HG      GLN  46   0.421  -8.060  -3.309
  350    HG3  GLN  46           1HG      GLN  46  -0.557  -8.813  -2.049
  351   HE21  GLN  46          1HE2      GLN  46  -0.814  -8.143  -5.199
  352   HE22  GLN  46          2HE2      GLN  46  -2.448  -7.696  -5.304
  353    H    CYS  47           H        CYS  47  -1.052  -3.387  -3.043
  354    HA   CYS  47           HA       CYS  47   0.238  -1.716  -1.079
  355    HB2  CYS  47           2HB      CYS  47  -2.259  -1.111  -2.670
  356    HB3  CYS  47           1HB      CYS  47  -1.153   0.044  -1.928
  357    H    ILE  48           H        ILE  48  -0.185  -2.285   0.999
  358    HA   ILE  48           HA       ILE  48  -2.973  -2.771   1.796
  359    HB   ILE  48           HB       ILE  48  -0.445  -3.064   3.437
  360   HG12  ILE  48          2HG1      ILE  48  -2.049  -5.111   1.868
  361   HG13  ILE  48          1HG1      ILE  48  -0.399  -4.592   1.521
  362   HG21  ILE  48          1HG2      ILE  48  -1.856  -4.315   4.956
  363   HG22  ILE  48          2HG2      ILE  48  -3.220  -4.216   3.842
  364   HG23  ILE  48          3HG2      ILE  48  -2.635  -2.762   4.650
  365   HD11  ILE  48          3HD1      ILE  48   0.007  -6.530   2.739
  366   HD12  ILE  48          1HD1      ILE  48  -1.413  -6.308   3.761
  367   HD13  ILE  48          2HD1      ILE  48   0.027  -5.323   4.024
  368    H    CYS  49           H        CYS  49  -3.964  -0.828   2.029
  369    HA   CYS  49           HA       CYS  49  -2.621   1.456   3.180
  370    HB2  CYS  49           2HB      CYS  49  -5.537   1.013   2.507
  371    HB3  CYS  49           1HB      CYS  49  -4.810   2.559   2.945
  372    H    ASP  50           H        ASP  50  -2.664   2.142   5.244
  373    HA   ASP  50           HA       ASP  50  -4.177   0.512   7.186
  374    HB2  ASP  50           2HB      ASP  50  -2.558   1.108   8.817
  375    HB3  ASP  50           1HB      ASP  50  -1.642   0.725   7.359
  376    H    TYR  51           H        TYR  51  -5.429   1.483   8.785
  377    HA   TYR  51           HA       TYR  51  -6.058   4.335   8.312
  378    HB2  TYR  51           2HB      TYR  51  -7.782   2.045   9.261
  379    HB3  TYR  51           1HB      TYR  51  -8.236   3.727   9.530
  380    HD1  TYR  51           1HD      TYR  51  -6.824   1.685   6.714
  381    HD2  TYR  51           2HD      TYR  51  -9.697   4.619   7.966
  382    HE1  TYR  51           1HE      TYR  51  -7.696   1.818   4.397
  383    HE2  TYR  51           2HE      TYR  51 -10.572   4.755   5.649
  384    HH   TYR  51           HH       TYR  51  -8.936   3.260   2.982
  385    H    CYS  52           H        CYS  52  -4.706   5.342   9.739
  386    HA   CYS  52           HA       CYS  52  -4.272   6.297  11.802
  387    HB2  CYS  52           2HB      CYS  52  -5.925   4.182  13.151
  388    HB3  CYS  52           1HB      CYS  52  -5.634   5.850  13.649
  389    H    GLU  53           H        GLU  53  -4.554   2.748  12.182
  390    HA   GLU  53           HA       GLU  53  -1.915   2.774  13.501
  391    HB2  GLU  53           2HB      GLU  53  -4.081   0.659  13.543
  392    HB3  GLU  53           1HB      GLU  53  -2.554   0.587  14.424
  393    HG2  GLU  53           2HG      GLU  53  -4.625   2.777  14.758
  394    HG3  GLU  53           1HG      GLU  53  -4.452   1.393  15.837
  395    H    TYR  54           H        TYR  54  -0.209   1.943  12.493
  396    HA   TYR  54           HA       TYR  54  -0.546   0.698   9.888
  397    HB2  TYR  54           2HB      TYR  54   1.842   0.905   9.680
  398    HB3  TYR  54           1HB      TYR  54   1.239   2.404  10.389
  399    HD1  TYR  54           2HD      TYR  54   1.633   2.940  12.742
  400    HD2  TYR  54           1HD      TYR  54   3.105  -0.708  11.017
  401    HE1  TYR  54           2HE      TYR  54   3.098   2.599  14.713
  402    HE2  TYR  54           1HE      TYR  54   4.571  -1.048  12.988
  403    HH   TYR  54           HH       TYR  54   5.568   1.031  14.915
  Start of MODEL   18
    1    H1   ASP   2           H        ASP   2  -6.692  -6.639   7.718
    2    HA   ASP   2           HA       ASP   2  -7.605  -8.005  10.132
    3    HB2  ASP   2           2HB      ASP   2  -4.861  -6.754   9.899
    4    HB3  ASP   2           1HB      ASP   2  -5.628  -7.167  11.431
    5    H    LYS   3           H        LYS   3  -7.045  -6.125  12.010
    6    HA   LYS   3           HA       LYS   3  -8.896  -4.032  11.331
    7    HB2  LYS   3           2HB      LYS   3  -8.583  -3.291  13.626
    8    HB3  LYS   3           1HB      LYS   3  -8.758  -5.046  13.601
    9    HG2  LYS   3           2HG      LYS   3  -6.248  -5.225  13.589
   10    HG3  LYS   3           1HG      LYS   3  -6.175  -3.478  13.824
   11    HD2  LYS   3           2HD      LYS   3  -7.654  -3.816  15.870
   12    HD3  LYS   3           1HD      LYS   3  -7.355  -5.545  15.691
   13    HE2  LYS   3           2HE      LYS   3  -5.741  -4.632  17.267
   14    HE3  LYS   3           1HE      LYS   3  -4.897  -5.079  15.783
   15    HZ1  LYS   3           3HZ      LYS   3  -4.121  -3.005  15.846
   16    HZ2  LYS   3           1HZ      LYS   3  -5.289  -2.484  16.960
   17    HZ3  LYS   3           2HZ      LYS   3  -5.659  -2.533  15.301
   18    H    CYS   4           H        CYS   4  -8.503  -1.900  10.927
   19    HA   CYS   4           HA       CYS   4  -7.344   0.009  10.381
   20    HB2  CYS   4           2HB      CYS   4  -4.849  -1.119  11.604
   21    HB3  CYS   4           1HB      CYS   4  -5.420   0.549  11.580
   22    H    LYS   5           H        LYS   5  -7.088  -2.774   8.967
   23    HA   LYS   5           HA       LYS   5  -5.028  -1.860   7.056
   24    HB2  LYS   5           2HB      LYS   5  -5.479  -4.729   7.903
   25    HB3  LYS   5           1HB      LYS   5  -4.288  -4.156   6.736
   26    HG2  LYS   5           2HG      LYS   5  -4.360  -3.203   9.606
   27    HG3  LYS   5           1HG      LYS   5  -3.392  -4.579   9.076
   28    HD2  LYS   5           2HD      LYS   5  -2.430  -2.984   7.293
   29    HD3  LYS   5           1HD      LYS   5  -3.131  -1.686   8.260
   30    HE2  LYS   5           2HE      LYS   5  -0.903  -1.916   9.061
   31    HE3  LYS   5           1HE      LYS   5  -1.907  -2.729  10.261
   32    HZ1  LYS   5           3HZ      LYS   5   0.119  -3.972   9.490
   33    HZ2  LYS   5           1HZ      LYS   5  -0.653  -4.160   7.992
   34    HZ3  LYS   5           2HZ      LYS   5  -1.347  -4.825   9.394
   35    H    LYS   6           H        LYS   6  -5.503  -2.117   4.917
   36    HA   LYS   6           HA       LYS   6  -7.766  -3.742   4.084
   37    HB2  LYS   6           2HB      LYS   6  -7.751  -0.728   3.768
   38    HB3  LYS   6           1HB      LYS   6  -8.814  -1.805   2.863
   39    HG2  LYS   6           2HG      LYS   6  -9.525  -2.745   5.155
   40    HG3  LYS   6           1HG      LYS   6  -8.753  -1.317   5.842
   41    HD2  LYS   6           2HD      LYS   6 -10.842  -1.161   3.658
   42    HD3  LYS   6           1HD      LYS   6 -11.242  -1.080   5.375
   43    HE2  LYS   6           2HE      LYS   6  -9.619   0.833   5.585
   44    HE3  LYS   6           1HE      LYS   6  -9.451   0.814   3.830
   45    HZ1  LYS   6           3HZ      LYS   6 -11.942   1.028   3.763
   46    HZ2  LYS   6           1HZ      LYS   6 -11.101   2.394   4.309
   47    HZ3  LYS   6           2HZ      LYS   6 -11.881   1.378   5.425
   48    H    VAL   7           H        VAL   7  -7.173  -4.734   2.276
   49    HA   VAL   7           HA       VAL   7  -4.821  -3.842   0.834
   50    HB   VAL   7           HB       VAL   7  -5.061  -6.209   1.274
   51   HG11  VAL   7          1HG1      VAL   7  -6.934  -7.482   0.243
   52   HG12  VAL   7          2HG1      VAL   7  -7.648  -5.962  -0.294
   53   HG13  VAL   7          3HG1      VAL   7  -7.506  -6.310   1.430
   54   HG21  VAL   7          3HG2      VAL   7  -4.109  -5.352  -0.946
   55   HG22  VAL   7          1HG2      VAL   7  -5.658  -5.794  -1.665
   56   HG23  VAL   7          2HG2      VAL   7  -4.641  -7.033  -0.931
   57    H    TYR   8           H        TYR   8  -4.718  -3.075  -1.223
   58    HA   TYR   8           HA       TYR   8  -7.295  -2.475  -2.545
   59    HB2  TYR   8           2HB      TYR   8  -4.843  -0.817  -2.125
   60    HB3  TYR   8           1HB      TYR   8  -5.772  -0.586  -3.607
   61    HD1  TYR   8           1HD      TYR   8  -5.843  -0.368   0.076
   62    HD2  TYR   8           2HD      TYR   8  -8.041   0.296  -3.555
   63    HE1  TYR   8           1HE      TYR   8  -7.520   0.960   1.333
   64    HE2  TYR   8           2HE      TYR   8  -9.716   1.624  -2.299
   65    HH   TYR   8           HH       TYR   8  -9.868   2.897  -0.221
   66    H    GLU   9           H        GLU   9  -7.262  -4.352  -3.813
   67    HA   GLU   9           HA       GLU   9  -5.015  -5.094  -5.422
   68    HB2  GLU   9           2HB      GLU   9  -7.938  -5.839  -5.680
   69    HB3  GLU   9           1HB      GLU   9  -6.602  -6.625  -6.522
   70    HG2  GLU   9           2HG      GLU   9  -6.851  -8.019  -4.674
   71    HG3  GLU   9           1HG      GLU   9  -5.616  -6.900  -4.099
   72    H    ASN  10           H        ASN  10  -5.087  -5.157  -7.807
   73    HA   ASN  10           HA       ASN  10  -5.386  -4.190  -9.881
   74    HB2  ASN  10           2HB      ASN  10  -7.474  -2.334  -8.793
   75    HB3  ASN  10           1HB      ASN  10  -7.366  -3.079 -10.386
   76   HD21  ASN  10          1HD2      ASN  10  -9.798  -3.338  -9.102
   77   HD22  ASN  10          2HD2      ASN  10 -10.001  -4.922  -8.527
   78    H    TYR  11           H        TYR  11  -4.261  -2.813  -7.149
   79    HA   TYR  11           HA       TYR  11  -3.587  -0.293  -8.532
   80    HB2  TYR  11           2HB      TYR  11  -4.156  -0.926  -5.679
   81    HB3  TYR  11           1HB      TYR  11  -2.979   0.343  -6.024
   82    HD1  TYR  11           1HD      TYR  11  -6.499  -0.691  -6.344
   83    HD2  TYR  11           2HD      TYR  11  -3.633   2.396  -7.188
   84    HE1  TYR  11           1HE      TYR  11  -8.344   0.882  -6.863
   85    HE2  TYR  11           2HE      TYR  11  -5.480   3.969  -7.705
   86    HH   TYR  11           HH       TYR  11  -7.975   4.161  -7.023
   87    HA   PRO  12           HA       PRO  12   0.353  -2.544  -6.360
   88    HB2  PRO  12           2HB      PRO  12  -0.102  -4.785  -8.312
   89    HB3  PRO  12           1HB      PRO  12   0.627  -4.842  -6.698
   90    HG2  PRO  12           2HG      PRO  12  -1.861  -5.712  -7.123
   91    HG3  PRO  12           1HG      PRO  12  -1.417  -4.874  -5.627
   92    HD2  PRO  12           2HD      PRO  12  -3.040  -3.871  -7.914
   93    HD3  PRO  12           1HD      PRO  12  -3.074  -3.377  -6.206
   94    H    VAL  13           H        VAL  13   1.810  -1.187  -7.345
   95    HA   VAL  13           HA       VAL  13   2.180  -1.454 -10.266
   96    HB   VAL  13           HB       VAL  13   2.081   1.115  -8.674
   97   HG11  VAL  13          1HG1      VAL  13   3.701   1.540 -10.303
   98   HG12  VAL  13          2HG1      VAL  13   2.218   2.019 -11.132
   99   HG13  VAL  13          3HG1      VAL  13   2.954   0.452 -11.472
  100   HG21  VAL  13          3HG2      VAL  13   0.057  -0.419  -9.951
  101   HG22  VAL  13          1HG2      VAL  13   0.346   0.997 -10.961
  102   HG23  VAL  13          2HG2      VAL  13  -0.089   1.198  -9.263
  103    H    SER  14           H        SER  14   4.270  -1.217 -11.028
  104    HA   SER  14           HA       SER  14   6.388  -2.047  -9.447
  105    HB2  SER  14           2HB      SER  14   6.392  -1.971 -11.948
  106    HB3  SER  14           1HB      SER  14   6.590  -0.223 -11.858
  107    HG   SER  14           HG       SER  14   8.328  -2.183 -10.749
  108    H    LYS  15           H        LYS  15   5.238   1.211 -10.163
  109    HA   LYS  15           HA       LYS  15   7.306   2.723  -9.056
  110    HB2  LYS  15           2HB      LYS  15   5.862   4.525  -9.181
  111    HB3  LYS  15           1HB      LYS  15   5.067   3.411 -10.291
  112    HG2  LYS  15           2HG      LYS  15   3.747   2.579  -8.244
  113    HG3  LYS  15           1HG      LYS  15   4.339   4.025  -7.425
  114    HD2  LYS  15           2HD      LYS  15   3.368   5.433  -9.212
  115    HD3  LYS  15           1HD      LYS  15   2.761   3.985 -10.016
  116    HE2  LYS  15           2HE      LYS  15   1.230   3.518  -8.274
  117    HE3  LYS  15           1HE      LYS  15   2.054   4.595  -7.146
  118    HZ1  LYS  15           3HZ      LYS  15   0.422   5.993  -7.765
  119    HZ2  LYS  15           1HZ      LYS  15   0.144   5.213  -9.246
  120    HZ3  LYS  15           2HZ      LYS  15   1.443   6.297  -9.088
  121    H    CYS  16           H        CYS  16   4.817   0.825  -7.543
  122    HA   CYS  16           HA       CYS  16   4.872   2.015  -4.969
  123    HB2  CYS  16           2HB      CYS  16   4.232  -0.856  -5.700
  124    HB3  CYS  16           1HB      CYS  16   3.778  -0.027  -4.211
  125    H    GLN  17           H        GLN  17   6.991  -0.180  -6.624
  126    HA   GLN  17           HA       GLN  17   8.279  -1.571  -4.654
  127    HB2  GLN  17           2HB      GLN  17  10.235  -1.572  -6.042
  128    HB3  GLN  17           1HB      GLN  17   8.843  -1.539  -7.125
  129    HG2  GLN  17           2HG      GLN  17   9.085   1.019  -7.087
  130    HG3  GLN  17           1HG      GLN  17  10.670   0.742  -6.367
  131   HE21  GLN  17          1HE2      GLN  17  12.038   1.263  -8.128
  132   HE22  GLN  17          2HE2      GLN  17  11.971   0.480  -9.632
  133    H    LEU  18           H        LEU  18   8.020   1.812  -4.962
  134    HA   LEU  18           HA       LEU  18  10.260   2.302  -3.116
  135    HB2  LEU  18           2HB      LEU  18   8.516   4.274  -4.616
  136    HB3  LEU  18           1HB      LEU  18   9.937   4.669  -3.652
  137    HG   LEU  18           HG       LEU  18   9.932   2.889  -6.108
  138   HD11  LEU  18          1HD1      LEU  18  11.334   4.825  -7.015
  139   HD12  LEU  18          2HD1      LEU  18  10.753   5.764  -5.639
  140   HD13  LEU  18          3HD1      LEU  18   9.609   5.146  -6.830
  141   HD21  LEU  18          3HD2      LEU  18  11.733   2.128  -4.829
  142   HD22  LEU  18          1HD2      LEU  18  12.007   3.706  -4.094
  143   HD23  LEU  18          2HD2      LEU  18  12.493   3.416  -5.764
  144    H    ALA  19           H        ALA  19   9.612   1.900  -1.068
  145    HA   ALA  19           HA       ALA  19   7.103   1.966   0.030
  146    HB1  ALA  19           1HB      ALA  19   8.157   2.259   2.194
  147    HB2  ALA  19           2HB      ALA  19   9.612   2.905   1.436
  148    HB3  ALA  19           3HB      ALA  19   9.173   1.214   1.200
  149    H    ASN  20           H        ASN  20   8.943   4.623  -1.101
  150    HA   ASN  20           HA       ASN  20   7.643   6.642   0.503
  151    HB2  ASN  20           2HB      ASN  20   9.331   6.825  -2.004
  152    HB3  ASN  20           1HB      ASN  20   8.742   8.217  -1.098
  153   HD21  ASN  20          1HD2      ASN  20  11.567   6.908  -1.519
  154   HD22  ASN  20          2HD2      ASN  20  12.190   6.850   0.059
  155    H    GLN  21           H        GLN  21   7.470   5.603  -2.898
  156    HA   GLN  21           HA       GLN  21   5.372   7.297  -3.696
  157    HB2  GLN  21           2HB      GLN  21   6.203   4.559  -4.683
  158    HB3  GLN  21           1HB      GLN  21   5.003   5.571  -5.487
  159    HG2  GLN  21           2HG      GLN  21   7.808   6.520  -4.866
  160    HG3  GLN  21           1HG      GLN  21   7.362   5.773  -6.399
  161   HE21  GLN  21          1HE2      GLN  21   8.245   8.322  -6.685
  162   HE22  GLN  21          2HE2      GLN  21   6.962   9.405  -6.928
  163    H    CYS  22           H        CYS  22   5.386   4.115  -2.184
  164    HA   CYS  22           HA       CYS  22   2.755   3.333  -2.489
  165    HB2  CYS  22           2HB      CYS  22   4.569   2.964  -0.098
  166    HB3  CYS  22           1HB      CYS  22   3.060   2.088  -0.357
  167    H    ASN  23           H        ASN  23   4.025   5.018   0.399
  168    HA   ASN  23           HA       ASN  23   1.437   5.478   1.478
  169    HB2  ASN  23           2HB      ASN  23   2.530   6.673   3.203
  170    HB3  ASN  23           1HB      ASN  23   3.643   5.388   2.738
  171   HD21  ASN  23          1HD2      ASN  23   3.946   8.365   3.772
  172   HD22  ASN  23          2HD2      ASN  23   5.149   8.981   2.748
  173    H    TYR  24           H        TYR  24   3.691   7.582  -0.300
  174    HA   TYR  24           HA       TYR  24   2.169   9.948  -0.102
  175    HB2  TYR  24           2HB      TYR  24   4.384   8.965  -1.808
  176    HB3  TYR  24           1HB      TYR  24   3.430  10.303  -2.451
  177    HD1  TYR  24           2HD      TYR  24   3.354  12.468  -1.317
  178    HD2  TYR  24           1HD      TYR  24   5.691   9.218   0.245
  179    HE1  TYR  24           2HE      TYR  24   4.532  14.041   0.195
  180    HE2  TYR  24           1HE      TYR  24   6.869  10.792   1.757
  181    HH   TYR  24           HH       TYR  24   6.220  14.289   1.637
  182    H    ASP  25           H        ASP  25   2.380   7.600  -2.782
  183    HA   ASP  25           HA       ASP  25   0.372   8.783  -4.372
  184    HB2  ASP  25           2HB      ASP  25   1.268   5.897  -4.264
  185    HB3  ASP  25           1HB      ASP  25   0.338   6.633  -5.567
  186    H    CYS  26           H        CYS  26   0.215   6.141  -1.989
  187    HA   CYS  26           HA       CYS  26  -2.489   5.480  -2.341
  188    HB2  CYS  26           2HB      CYS  26  -0.654   5.301   0.049
  189    HB3  CYS  26           1HB      CYS  26  -2.314   4.705   0.089
  190    H    LYS  27           H        LYS  27  -0.950   7.887  -0.229
  191    HA   LYS  27           HA       LYS  27  -3.220   8.776   1.141
  192    HB2  LYS  27           2HB      LYS  27  -0.658  10.123   0.313
  193    HB3  LYS  27           1HB      LYS  27  -1.915  11.011   1.173
  194    HG2  LYS  27           2HG      LYS  27  -1.739   9.650   3.086
  195    HG3  LYS  27           1HG      LYS  27  -0.927   8.359   2.203
  196    HD2  LYS  27           2HD      LYS  27   1.085   9.688   1.983
  197    HD3  LYS  27           1HD      LYS  27   0.279  11.101   2.667
  198    HE2  LYS  27           2HE      LYS  27   0.878   8.496   4.097
  199    HE3  LYS  27           1HE      LYS  27   1.634  10.059   4.400
  200    HZ1  LYS  27           3HZ      LYS  27  -1.113   9.181   5.002
  201    HZ2  LYS  27           1HZ      LYS  27  -0.778  10.830   4.790
  202    HZ3  LYS  27           2HZ      LYS  27   0.012   9.955   6.013
  203    H    LEU  28           H        LEU  28  -1.885   9.748  -1.987
  204    HA   LEU  28           HA       LEU  28  -3.801  11.790  -2.524
  205    HB2  LEU  28           2HB      LEU  28  -2.047  10.186  -4.401
  206    HB3  LEU  28           1HB      LEU  28  -2.953  11.632  -4.843
  207    HG   LEU  28           HG       LEU  28  -0.881  11.549  -2.632
  208   HD11  LEU  28          1HD1      LEU  28   0.034  11.147  -4.957
  209   HD12  LEU  28          2HD1      LEU  28   0.642  12.606  -4.177
  210   HD13  LEU  28          3HD1      LEU  28  -0.611  12.723  -5.413
  211   HD21  LEU  28          3HD2      LEU  28  -1.055  14.116  -3.248
  212   HD22  LEU  28          1HD2      LEU  28  -2.241  13.386  -2.166
  213   HD23  LEU  28          2HD2      LEU  28  -2.640  13.650  -3.863
  214    H    ASP  29           H        ASP  29  -3.538   8.376  -3.479
  215    HA   ASP  29           HA       ASP  29  -6.133   8.551  -4.832
  216    HB2  ASP  29           2HB      ASP  29  -4.009   6.407  -4.765
  217    HB3  ASP  29           1HB      ASP  29  -5.546   6.242  -5.613
  218    H    LYS  30           H        LYS  30  -4.566   6.255  -2.562
  219    HA   LYS  30           HA       LYS  30  -7.164   5.151  -1.900
  220    HB2  LYS  30           2HB      LYS  30  -4.364   4.491  -0.982
  221    HB3  LYS  30           1HB      LYS  30  -5.806   3.614  -0.464
  222    HG2  LYS  30           2HG      LYS  30  -6.327   3.005  -2.759
  223    HG3  LYS  30           1HG      LYS  30  -5.006   4.006  -3.361
  224    HD2  LYS  30           2HD      LYS  30  -3.434   2.567  -1.973
  225    HD3  LYS  30           1HD      LYS  30  -4.796   1.476  -1.713
  226    HE2  LYS  30           2HE      LYS  30  -3.708   0.573  -3.604
  227    HE3  LYS  30           1HE      LYS  30  -5.047   1.494  -4.288
  228    HZ1  LYS  30           3HZ      LYS  30  -2.591   2.976  -3.862
  229    HZ2  LYS  30           1HZ      LYS  30  -3.669   3.013  -5.171
  230    HZ3  LYS  30           2HZ      LYS  30  -2.514   1.772  -5.058
  231    H    HIS  31           H        HIS  31  -5.521   7.806  -0.770
  232    HA   HIS  31           HA       HIS  31  -5.727   9.106   1.119
  233    HB2  HIS  31           2HB      HIS  31  -8.176   7.444   1.718
  234    HB3  HIS  31           1HB      HIS  31  -7.857   9.114   2.187
  235    HD2  HIS  31           2HD      HIS  31  -9.273   7.144  -0.848
  236    HE1  HIS  31           1HE      HIS  31  -9.024  11.198  -2.000
  237    HE2  HIS  31           2HE      HIS  31  -9.912   8.912  -2.660
  238    H    ALA  32           H        ALA  32  -4.469   6.287   1.236
  239    HA   ALA  32           HA       ALA  32  -4.886   5.275   3.856
  240    HB1  ALA  32           1HB      ALA  32  -3.722   4.146   1.834
  241    HB2  ALA  32           2HB      ALA  32  -3.057   3.857   3.442
  242    HB3  ALA  32           3HB      ALA  32  -2.283   5.018   2.363
  243    H    ARG  33           H        ARG  33  -3.420   5.416   5.683
  244    HA   ARG  33           HA       ARG  33  -2.484   8.137   6.067
  245    HB2  ARG  33           2HB      ARG  33  -2.527   5.745   7.915
  246    HB3  ARG  33           1HB      ARG  33  -2.008   7.364   8.384
  247    HG2  ARG  33           2HG      ARG  33  -4.272   8.197   7.562
  248    HG3  ARG  33           1HG      ARG  33  -4.758   6.505   7.462
  249    HD2  ARG  33           2HD      ARG  33  -4.059   6.267   9.885
  250    HD3  ARG  33           1HD      ARG  33  -3.874   8.018   9.929
  251    HE   ARG  33           HE       ARG  33  -6.350   6.562   9.988
  252   HH11  ARG  33          1HH2      ARG  33  -4.781   9.469   8.961
  253   HH12  ARG  33          2HH2      ARG  33  -6.225  10.425   8.993
  254   HH21  ARG  33          1HH1      ARG  33  -8.250   7.809  10.032
  255   HH22  ARG  33          2HH1      ARG  33  -8.189   9.484   9.599
  256    H    SER  34           H        SER  34  -1.064   4.892   5.915
  257    HA   SER  34           HA       SER  34   1.589   6.169   5.652
  258    HB2  SER  34           2HB      SER  34   2.202   5.167   7.552
  259    HB3  SER  34           1HB      SER  34   0.655   4.334   7.666
  260    HG   SER  34           HG       SER  34   1.567   2.863   6.047
  261    H    GLY  35           H        GLY  35  -0.706   4.265   4.179
  262    HA2  GLY  35           2HA      GLY  35  -0.601   2.519   2.617
  263    HA3  GLY  35           1HA      GLY  35   0.432   3.712   1.835
  264    H    GLU  36           H        GLU  36   0.295   0.646   3.354
  265    HA   GLU  36           HA       GLU  36   3.244   0.423   3.293
  266    HB2  GLU  36           2HB      GLU  36   1.211  -1.206   4.840
  267    HB3  GLU  36           1HB      GLU  36   2.950  -1.505   4.829
  268    HG2  GLU  36           2HG      GLU  36   1.667   1.107   5.685
  269    HG3  GLU  36           1HG      GLU  36   2.195  -0.153   6.799
  270    H    CYS  37           H        CYS  37   4.083  -0.764   1.710
  271    HA   CYS  37           HA       CYS  37   2.302  -2.585   0.221
  272    HB2  CYS  37           2HB      CYS  37   4.684  -0.937  -0.529
  273    HB3  CYS  37           1HB      CYS  37   4.302  -2.383  -1.462
  274    H    PHE  38           H        PHE  38   2.790  -4.701  -0.056
  275    HA   PHE  38           HA       PHE  38   5.335  -5.690   1.073
  276    HB2  PHE  38           2HB      PHE  38   2.608  -6.966   1.416
  277    HB3  PHE  38           1HB      PHE  38   4.139  -7.629   1.990
  278    HD1  PHE  38           1HD      PHE  38   1.722  -4.846   2.381
  279    HD2  PHE  38           2HD      PHE  38   5.221  -6.775   3.957
  280    HE1  PHE  38           1HE      PHE  38   1.537  -3.492   4.450
  281    HE2  PHE  38           2HE      PHE  38   5.036  -5.421   6.027
  282    HZ   PHE  38           HZ       PHE  38   3.194  -3.779   6.274
  283    H    TYR  39           H        TYR  39   5.886  -7.892   0.281
  284    HA   TYR  39           HA       TYR  39   5.265  -8.082  -2.578
  285    HB2  TYR  39           2HB      TYR  39   7.351  -9.481  -0.884
  286    HB3  TYR  39           1HB      TYR  39   7.165  -9.680  -2.627
  287    HD1  TYR  39           1HD      TYR  39   7.875  -7.187   0.047
  288    HD2  TYR  39           2HD      TYR  39   8.025  -8.070  -4.154
  289    HE1  TYR  39           1HE      TYR  39   9.238  -5.151  -0.332
  290    HE2  TYR  39           2HE      TYR  39   9.389  -6.034  -4.533
  291    HH   TYR  39           HH       TYR  39   9.651  -3.729  -3.219
  292    H    ASP  40           H        ASP  40   4.053  -9.664  -3.436
  293    HA   ASP  40           HA       ASP  40   2.998 -11.718  -1.603
  294    HB2  ASP  40           2HB      ASP  40   1.165 -11.951  -3.211
  295    HB3  ASP  40           1HB      ASP  40   1.331 -10.272  -2.702
  296    H    GLU  41           H        GLU  41   2.187 -13.682  -3.177
  297    HA   GLU  41           HA       GLU  41   4.579 -15.055  -3.868
  298    HB2  GLU  41           2HB      GLU  41   1.689 -15.714  -4.480
  299    HB3  GLU  41           1HB      GLU  41   3.047 -16.819  -4.697
  300    HG2  GLU  41           2HG      GLU  41   2.305 -15.520  -2.061
  301    HG3  GLU  41           1HG      GLU  41   1.845 -17.156  -2.526
  302    H    LYS  42           H        LYS  42   2.244 -13.184  -5.678
  303    HA   LYS  42           HA       LYS  42   3.193 -14.055  -8.266
  304    HB2  LYS  42           2HB      LYS  42   1.469 -11.668  -7.560
  305    HB3  LYS  42           1HB      LYS  42   1.665 -12.388  -9.158
  306    HG2  LYS  42           2HG      LYS  42   0.732 -14.523  -8.273
  307    HG3  LYS  42           1HG      LYS  42   0.452 -13.728  -6.723
  308    HD2  LYS  42           2HD      LYS  42  -0.957 -12.028  -7.922
  309    HD3  LYS  42           1HD      LYS  42  -0.782 -12.990  -9.391
  310    HE2  LYS  42           2HE      LYS  42  -2.878 -13.586  -8.299
  311    HE3  LYS  42           1HE      LYS  42  -1.759 -14.944  -8.178
  312    HZ1  LYS  42           3HZ      LYS  42  -1.947 -12.910  -6.044
  313    HZ2  LYS  42           1HZ      LYS  42  -1.319 -14.483  -5.954
  314    HZ3  LYS  42           2HZ      LYS  42  -2.997 -14.245  -6.085
  315    H    ARG  43           H        ARG  43   4.786 -12.453  -6.035
  316    HA   ARG  43           HA       ARG  43   6.550 -10.984  -6.025
  317    HB2  ARG  43           2HB      ARG  43   6.495 -11.095  -9.040
  318    HB3  ARG  43           1HB      ARG  43   7.879 -10.818  -7.981
  319    HG2  ARG  43           2HG      ARG  43   6.309 -13.398  -8.264
  320    HG3  ARG  43           1HG      ARG  43   7.967 -13.111  -8.793
  321    HD2  ARG  43           2HD      ARG  43   6.897 -13.427  -6.010
  322    HD3  ARG  43           1HD      ARG  43   8.325 -14.151  -6.742
  323    HE   ARG  43           HE       ARG  43   8.380 -11.251  -6.373
  324   HH11  ARG  43          1HH2      ARG  43   9.240 -14.417  -5.274
  325   HH12  ARG  43          2HH2      ARG  43  10.533 -13.866  -4.263
  326   HH21  ARG  43          1HH1      ARG  43  10.075 -10.519  -5.047
  327   HH22  ARG  43          2HH1      ARG  43  11.006 -11.659  -4.135
  328    H    ASN  44           H        ASN  44   3.623 -10.173  -6.604
  329    HA   ASN  44           HA       ASN  44   4.062  -7.538  -7.819
  330    HB2  ASN  44           2HB      ASN  44   1.893  -9.356  -7.781
  331    HB3  ASN  44           1HB      ASN  44   1.377  -7.938  -6.871
  332   HD21  ASN  44          1HD2      ASN  44   0.070  -6.887  -8.432
  333   HD22  ASN  44          2HD2      ASN  44   0.642  -6.387  -9.950
  334    H    LEU  45           H        LEU  45   3.539  -5.605  -6.730
  335    HA   LEU  45           HA       LEU  45   4.025  -5.719  -3.864
  336    HB2  LEU  45           2HB      LEU  45   3.555  -3.272  -5.576
  337    HB3  LEU  45           1HB      LEU  45   4.336  -3.346  -3.996
  338    HG   LEU  45           HG       LEU  45   5.376  -4.702  -6.502
  339   HD11  LEU  45          1HD1      LEU  45   6.100  -2.111  -5.120
  340   HD12  LEU  45          2HD1      LEU  45   5.679  -2.359  -6.815
  341   HD13  LEU  45          3HD1      LEU  45   7.221  -2.946  -6.195
  342   HD21  LEU  45          3HD2      LEU  45   6.318  -4.509  -3.643
  343   HD22  LEU  45          1HD2      LEU  45   7.468  -4.777  -4.954
  344   HD23  LEU  45          2HD2      LEU  45   6.176  -5.941  -4.661
  345    H    GLN  46           H        GLN  46   2.271  -6.282  -2.699
  346    HA   GLN  46           HA       GLN  46  -0.394  -5.442  -3.423
  347    HB2  GLN  46           2HB      GLN  46   0.735  -6.936  -1.051
  348    HB3  GLN  46           1HB      GLN  46  -0.977  -6.539  -1.211
  349    HG2  GLN  46           2HG      GLN  46   0.599  -8.053  -3.309
  350    HG3  GLN  46           1HG      GLN  46  -0.371  -8.834  -2.063
  351   HE21  GLN  46          1HE2      GLN  46  -0.593  -8.197  -5.223
  352   HE22  GLN  46          2HE2      GLN  46  -2.242  -7.821  -5.363
  353    H    CYS  47           H        CYS  47  -1.044  -3.419  -3.092
  354    HA   CYS  47           HA       CYS  47   0.177  -1.714  -1.108
  355    HB2  CYS  47           2HB      CYS  47  -2.326  -1.116  -2.682
  356    HB3  CYS  47           1HB      CYS  47  -1.153   0.022  -2.020
  357    H    ILE  48           H        ILE  48  -0.280  -2.217   0.969
  358    HA   ILE  48           HA       ILE  48  -3.090  -2.741   1.699
  359    HB   ILE  48           HB       ILE  48  -0.609  -3.166   3.379
  360   HG12  ILE  48          2HG1      ILE  48  -2.196  -5.123   1.683
  361   HG13  ILE  48          1HG1      ILE  48  -0.543  -4.589   1.371
  362   HG21  ILE  48          1HG2      ILE  48  -3.415  -4.285   3.639
  363   HG22  ILE  48          2HG2      ILE  48  -2.821  -2.894   4.546
  364   HG23  ILE  48          3HG2      ILE  48  -2.085  -4.479   4.782
  365   HD11  ILE  48          3HD1      ILE  48  -1.566  -6.332   3.605
  366   HD12  ILE  48          1HD1      ILE  48  -0.050  -5.448   3.775
  367   HD13  ILE  48          2HD1      ILE  48  -0.236  -6.638   2.487
  368    H    CYS  49           H        CYS  49  -4.031  -0.785   2.004
  369    HA   CYS  49           HA       CYS  49  -2.705   1.466   3.159
  370    HB2  CYS  49           2HB      CYS  49  -5.667   0.925   2.866
  371    HB3  CYS  49           1HB      CYS  49  -4.925   2.492   3.189
  372    H    ASP  50           H        ASP  50  -2.375   1.953   5.234
  373    HA   ASP  50           HA       ASP  50  -3.765   0.332   7.281
  374    HB2  ASP  50           2HB      ASP  50  -1.851   0.623   8.694
  375    HB3  ASP  50           1HB      ASP  50  -1.257   0.123   7.110
  376    H    TYR  51           H        TYR  51  -4.682   1.324   9.059
  377    HA   TYR  51           HA       TYR  51  -4.843   4.276   8.933
  378    HB2  TYR  51           2HB      TYR  51  -6.825   2.266  10.036
  379    HB3  TYR  51           1HB      TYR  51  -6.968   4.011  10.237
  380    HD1  TYR  51           1HD      TYR  51  -6.397   1.480   7.528
  381    HD2  TYR  51           2HD      TYR  51  -8.195   5.211   8.664
  382    HE1  TYR  51           1HE      TYR  51  -7.455   1.649   5.293
  383    HE2  TYR  51           2HE      TYR  51  -9.253   5.384   6.427
  384    HH   TYR  51           HH       TYR  51  -8.521   3.059   3.869
  385    H    CYS  52           H        CYS  52  -3.086   4.766  10.225
  386    HA   CYS  52           HA       CYS  52  -2.119   5.317  12.241
  387    HB2  CYS  52           2HB      CYS  52  -4.268   3.847  13.726
  388    HB3  CYS  52           1HB      CYS  52  -3.410   5.322  14.174
  389    H    GLU  53           H        GLU  53  -3.664   2.182  12.987
  390    HA   GLU  53           HA       GLU  53  -1.257   1.187  14.193
  391    HB2  GLU  53           2HB      GLU  53  -3.843  -0.209  13.472
  392    HB3  GLU  53           1HB      GLU  53  -2.546  -0.919  14.434
  393    HG2  GLU  53           2HG      GLU  53  -3.985   1.651  15.147
  394    HG3  GLU  53           1HG      GLU  53  -4.378   0.072  15.827
  395    H    TYR  54           H        TYR  54   0.446   0.538  13.062
  396    HA   TYR  54           HA       TYR  54   0.344  -0.159  10.299
  397    HB2  TYR  54           2HB      TYR  54   2.513  -0.550  12.373
  398    HB3  TYR  54           1HB      TYR  54   2.722  -0.827  10.645
  399    HD1  TYR  54           1HD      TYR  54   2.109   1.724  13.248
  400    HD2  TYR  54           2HD      TYR  54   2.826   1.015   9.073
  401    HE1  TYR  54           1HE      TYR  54   2.536   4.143  12.911
  402    HE2  TYR  54           2HE      TYR  54   3.251   3.435   8.735
  403    HH   TYR  54           HH       TYR  54   3.145   5.466   9.669
  Start of MODEL   19
    1    H1   ASP   2           H        ASP   2 -12.582  -6.181  11.240
    2    HA   ASP   2           HA       ASP   2 -12.759  -3.918   9.354
    3    HB2  ASP   2           2HB      ASP   2 -13.583  -2.460  11.148
    4    HB3  ASP   2           1HB      ASP   2 -14.708  -3.786  10.850
    5    H    LYS   3           H        LYS   3 -10.415  -5.010   9.490
    6    HA   LYS   3           HA       LYS   3  -8.836  -4.014  11.718
    7    HB2  LYS   3           2HB      LYS   3  -7.865  -5.303   9.160
    8    HB3  LYS   3           1HB      LYS   3  -6.988  -5.151  10.683
    9    HG2  LYS   3           2HG      LYS   3  -9.568  -6.706  10.328
   10    HG3  LYS   3           1HG      LYS   3  -7.959  -7.426  10.370
   11    HD2  LYS   3           2HD      LYS   3  -7.686  -6.212  12.637
   12    HD3  LYS   3           1HD      LYS   3  -9.438  -6.019  12.590
   13    HE2  LYS   3           2HE      LYS   3  -9.729  -8.443  12.392
   14    HE3  LYS   3           1HE      LYS   3  -7.980  -8.667  12.357
   15    HZ1  LYS   3           3HZ      LYS   3  -7.902  -8.575  14.554
   16    HZ2  LYS   3           1HZ      LYS   3  -9.598  -8.568  14.586
   17    HZ3  LYS   3           2HZ      LYS   3  -8.742  -7.100  14.591
   18    H    CYS   4           H        CYS   4  -7.241  -2.428  11.588
   19    HA   CYS   4           HA       CYS   4  -7.791  -0.153  10.069
   20    HB2  CYS   4           2HB      CYS   4  -5.022  -0.808  11.053
   21    HB3  CYS   4           1HB      CYS   4  -5.816   0.763  10.962
   22    H    LYS   5           H        LYS   5  -6.032  -3.020   9.250
   23    HA   LYS   5           HA       LYS   5  -4.768  -1.762   6.928
   24    HB2  LYS   5           2HB      LYS   5  -4.654  -4.655   7.797
   25    HB3  LYS   5           1HB      LYS   5  -3.594  -3.844   6.643
   26    HG2  LYS   5           2HG      LYS   5  -3.843  -3.085   9.568
   27    HG3  LYS   5           1HG      LYS   5  -2.557  -4.092   8.903
   28    HD2  LYS   5           2HD      LYS   5  -2.167  -2.129   7.249
   29    HD3  LYS   5           1HD      LYS   5  -3.109  -1.173   8.396
   30    HE2  LYS   5           2HE      LYS   5  -0.581  -2.729   9.015
   31    HE3  LYS   5           1HE      LYS   5  -0.731  -0.974   8.928
   32    HZ1  LYS   5           3HZ      LYS   5  -1.845  -0.875  10.889
   33    HZ2  LYS   5           1HZ      LYS   5  -0.913  -2.258  11.196
   34    HZ3  LYS   5           2HZ      LYS   5  -2.536  -2.417  10.720
   35    H    LYS   6           H        LYS   6  -5.453  -1.981   4.881
   36    HA   LYS   6           HA       LYS   6  -7.398  -4.069   4.211
   37    HB2  LYS   6           2HB      LYS   6  -7.862  -1.108   3.761
   38    HB3  LYS   6           1HB      LYS   6  -8.801  -2.386   2.990
   39    HG2  LYS   6           2HG      LYS   6  -9.240  -3.279   5.354
   40    HG3  LYS   6           1HG      LYS   6  -8.618  -1.734   5.935
   41    HD2  LYS   6           2HD      LYS   6 -10.909  -2.044   3.972
   42    HD3  LYS   6           1HD      LYS   6 -11.099  -1.726   5.697
   43    HE2  LYS   6           2HE      LYS   6 -11.196   0.426   4.764
   44    HE3  LYS   6           1HE      LYS   6  -9.507   0.293   5.257
   45    HZ1  LYS   6           3HZ      LYS   6 -10.611   0.565   2.642
   46    HZ2  LYS   6           1HZ      LYS   6  -9.597  -0.792   2.744
   47    HZ3  LYS   6           2HZ      LYS   6  -9.002   0.745   3.158
   48    H    VAL   7           H        VAL   7  -7.051  -4.898   2.227
   49    HA   VAL   7           HA       VAL   7  -4.755  -3.916   0.741
   50    HB   VAL   7           HB       VAL   7  -4.949  -6.306   1.097
   51   HG11  VAL   7          1HG1      VAL   7  -7.569  -6.056  -0.412
   52   HG12  VAL   7          2HG1      VAL   7  -7.401  -6.419   1.305
   53   HG13  VAL   7          3HG1      VAL   7  -6.827  -7.571   0.101
   54   HG21  VAL   7          3HG2      VAL   7  -4.068  -5.343  -1.107
   55   HG22  VAL   7          1HG2      VAL   7  -5.632  -5.769  -1.803
   56   HG23  VAL   7          2HG2      VAL   7  -4.583  -7.030  -1.154
   57    H    TYR   8           H        TYR   8  -4.753  -3.038  -1.268
   58    HA   TYR   8           HA       TYR   8  -7.391  -2.474  -2.485
   59    HB2  TYR   8           2HB      TYR   8  -5.014  -0.731  -2.013
   60    HB3  TYR   8           1HB      TYR   8  -5.948  -0.476  -3.488
   61    HD1  TYR   8           2HD      TYR   8  -8.288   0.242  -3.399
   62    HD2  TYR   8           1HD      TYR   8  -6.005  -0.360   0.191
   63    HE1  TYR   8           2HE      TYR   8 -10.023   1.441  -2.094
   64    HE2  TYR   8           1HE      TYR   8  -7.741   0.839   1.495
   65    HH   TYR   8           HH       TYR   8  -9.743   2.819   0.503
   66    H    GLU   9           H        GLU   9  -7.257  -4.342  -3.798
   67    HA   GLU   9           HA       GLU   9  -5.048  -4.919  -5.491
   68    HB2  GLU   9           2HB      GLU   9  -7.962  -5.694  -5.766
   69    HB3  GLU   9           1HB      GLU   9  -6.624  -6.410  -6.666
   70    HG2  GLU   9           2HG      GLU   9  -6.835  -7.909  -4.896
   71    HG3  GLU   9           1HG      GLU   9  -5.605  -6.809  -4.276
   72    H    ASN  10           H        ASN  10  -5.188  -4.893  -7.895
   73    HA   ASN  10           HA       ASN  10  -5.577  -3.843  -9.918
   74    HB2  ASN  10           2HB      ASN  10  -7.512  -1.946  -8.632
   75    HB3  ASN  10           1HB      ASN  10  -7.516  -2.601 -10.268
   76   HD21  ASN  10          1HD2      ASN  10  -9.899  -2.829  -8.913
   77   HD22  ASN  10          2HD2      ASN  10 -10.152  -4.428  -8.405
   78    H    TYR  11           H        TYR  11  -4.293  -2.612  -7.165
   79    HA   TYR  11           HA       TYR  11  -3.498  -0.111  -8.521
   80    HB2  TYR  11           2HB      TYR  11  -4.028  -0.740  -5.648
   81    HB3  TYR  11           1HB      TYR  11  -2.867   0.527  -6.049
   82    HD1  TYR  11           2HD      TYR  11  -3.568   2.567  -7.211
   83    HD2  TYR  11           1HD      TYR  11  -6.394  -0.515  -6.228
   84    HE1  TYR  11           2HE      TYR  11  -5.435   4.132  -7.677
   85    HE2  TYR  11           1HE      TYR  11  -8.261   1.051  -6.695
   86    HH   TYR  11           HH       TYR  11  -8.216   3.507  -8.411
   87    HA   PRO  12           HA       PRO  12   0.318  -2.584  -6.377
   88    HB2  PRO  12           2HB      PRO  12  -0.275  -4.807  -8.312
   89    HB3  PRO  12           1HB      PRO  12   0.458  -4.895  -6.700
   90    HG2  PRO  12           2HG      PRO  12  -2.079  -5.625  -7.110
   91    HG3  PRO  12           1HG      PRO  12  -1.580  -4.803  -5.620
   92    HD2  PRO  12           2HD      PRO  12  -3.154  -3.723  -7.907
   93    HD3  PRO  12           1HD      PRO  12  -3.153  -3.218  -6.201
   94    H    VAL  13           H        VAL  13   1.851  -1.327  -7.378
   95    HA   VAL  13           HA       VAL  13   2.233  -1.668 -10.286
   96    HB   VAL  13           HB       VAL  13   2.718   0.847 -10.321
   97   HG11  VAL  13          1HG1      VAL  13   0.169   1.338 -10.323
   98   HG12  VAL  13          2HG1      VAL  13  -0.010  -0.385  -9.985
   99   HG13  VAL  13          3HG1      VAL  13   0.786   0.145 -11.466
  100   HG21  VAL  13          3HG2      VAL  13   1.523   2.148  -8.585
  101   HG22  VAL  13          1HG2      VAL  13   2.810   1.166  -7.885
  102   HG23  VAL  13          2HG2      VAL  13   1.129   0.650  -7.744
  103    H    SER  14           H        SER  14   4.342  -1.346 -11.036
  104    HA   SER  14           HA       SER  14   6.456  -2.071  -9.358
  105    HB2  SER  14           2HB      SER  14   6.500  -2.179 -11.856
  106    HB3  SER  14           1HB      SER  14   6.642  -0.424 -11.895
  107    HG   SER  14           HG       SER  14   8.682  -1.462 -11.988
  108    H    LYS  15           H        LYS  15   4.929   0.978  -9.942
  109    HA   LYS  15           HA       LYS  15   6.989   2.721  -9.074
  110    HB2  LYS  15           2HB      LYS  15   4.001   3.140  -8.817
  111    HB3  LYS  15           1HB      LYS  15   5.249   4.385  -8.864
  112    HG2  LYS  15           2HG      LYS  15   4.701   2.434 -11.119
  113    HG3  LYS  15           1HG      LYS  15   4.085   4.086 -11.060
  114    HD2  LYS  15           2HD      LYS  15   6.558   4.781 -10.728
  115    HD3  LYS  15           1HD      LYS  15   6.944   3.158 -11.301
  116    HE2  LYS  15           2HE      LYS  15   5.385   5.294 -12.779
  117    HE3  LYS  15           1HE      LYS  15   6.957   4.626 -13.218
  118    HZ1  LYS  15           3HZ      LYS  15   5.290   3.585 -14.546
  119    HZ2  LYS  15           1HZ      LYS  15   4.357   3.196 -13.183
  120    HZ3  LYS  15           2HZ      LYS  15   5.857   2.437 -13.429
  121    H    CYS  16           H        CYS  16   4.639   0.746  -7.406
  122    HA   CYS  16           HA       CYS  16   4.828   2.018  -4.863
  123    HB2  CYS  16           2HB      CYS  16   3.899  -0.710  -5.760
  124    HB3  CYS  16           1HB      CYS  16   3.931  -0.246  -4.059
  125    H    GLN  17           H        GLN  17   6.870  -0.135  -6.608
  126    HA   GLN  17           HA       GLN  17   8.201  -1.604  -4.718
  127    HB2  GLN  17           2HB      GLN  17  10.102  -1.592  -6.166
  128    HB3  GLN  17           1HB      GLN  17   8.687  -1.471  -7.213
  129    HG2  GLN  17           2HG      GLN  17   9.001   1.078  -7.051
  130    HG3  GLN  17           1HG      GLN  17  10.598   0.719  -6.397
  131   HE21  GLN  17          1HE2      GLN  17  11.864   1.379  -8.209
  132   HE22  GLN  17          2HE2      GLN  17  11.755   0.638  -9.732
  133    H    LEU  18           H        LEU  18   7.929   1.783  -4.889
  134    HA   LEU  18           HA       LEU  18  10.200   2.183  -3.051
  135    HB2  LEU  18           2HB      LEU  18   8.540   4.223  -4.555
  136    HB3  LEU  18           1HB      LEU  18   9.943   4.573  -3.548
  137    HG   LEU  18           HG       LEU  18   9.951   2.845  -6.040
  138   HD11  LEU  18          1HD1      LEU  18   9.728   5.170  -6.651
  139   HD12  LEU  18          2HD1      LEU  18  11.416   4.722  -6.896
  140   HD13  LEU  18          3HD1      LEU  18  10.947   5.650  -5.471
  141   HD21  LEU  18          3HD2      LEU  18  12.526   3.279  -5.588
  142   HD22  LEU  18          1HD2      LEU  18  11.687   1.965  -4.762
  143   HD23  LEU  18          2HD2      LEU  18  11.979   3.490  -3.925
  144    H    ALA  19           H        ALA  19   9.528   1.786  -1.013
  145    HA   ALA  19           HA       ALA  19   7.016   1.899   0.070
  146    HB1  ALA  19           1HB      ALA  19   9.097   1.123   1.236
  147    HB2  ALA  19           2HB      ALA  19   8.050   2.131   2.235
  148    HB3  ALA  19           3HB      ALA  19   9.508   2.815   1.516
  149    H    ASN  20           H        ASN  20   8.862   4.519  -1.095
  150    HA   ASN  20           HA       ASN  20   7.580   6.554   0.521
  151    HB2  ASN  20           2HB      ASN  20   9.344   6.719  -1.934
  152    HB3  ASN  20           1HB      ASN  20   8.743   8.120  -1.049
  153   HD21  ASN  20          1HD2      ASN  20  11.567   6.791  -1.379
  154   HD22  ASN  20          2HD2      ASN  20  12.137   6.723   0.219
  155    H    GLN  21           H        GLN  21   7.434   5.445  -2.852
  156    HA   GLN  21           HA       GLN  21   5.419   7.206  -3.735
  157    HB2  GLN  21           2HB      GLN  21   6.204   4.429  -4.646
  158    HB3  GLN  21           1HB      GLN  21   5.021   5.432  -5.487
  159    HG2  GLN  21           2HG      GLN  21   7.803   6.424  -4.852
  160    HG3  GLN  21           1HG      GLN  21   7.433   5.558  -6.343
  161   HE21  GLN  21          1HE2      GLN  21   8.224   8.434  -6.029
  162   HE22  GLN  21          2HE2      GLN  21   6.957   9.329  -6.720
  163    H    CYS  22           H        CYS  22   5.294   4.048  -2.175
  164    HA   CYS  22           HA       CYS  22   2.615   3.405  -2.513
  165    HB2  CYS  22           2HB      CYS  22   4.336   2.881  -0.082
  166    HB3  CYS  22           1HB      CYS  22   2.853   2.024  -0.507
  167    H    ASN  23           H        ASN  23   4.020   4.987   0.371
  168    HA   ASN  23           HA       ASN  23   1.492   5.517   1.545
  169    HB2  ASN  23           2HB      ASN  23   2.674   6.641   3.240
  170    HB3  ASN  23           1HB      ASN  23   3.776   5.382   2.688
  171   HD21  ASN  23          1HD2      ASN  23   4.081   8.347   3.777
  172   HD22  ASN  23          2HD2      ASN  23   5.235   8.998   2.717
  173    H    TYR  24           H        TYR  24   3.706   7.556  -0.348
  174    HA   TYR  24           HA       TYR  24   2.217   9.952  -0.090
  175    HB2  TYR  24           2HB      TYR  24   4.404   8.960  -1.824
  176    HB3  TYR  24           1HB      TYR  24   3.447  10.299  -2.459
  177    HD1  TYR  24           2HD      TYR  24   3.388  12.466  -1.325
  178    HD2  TYR  24           1HD      TYR  24   5.739   9.215   0.210
  179    HE1  TYR  24           2HE      TYR  24   4.589  14.040   0.169
  180    HE2  TYR  24           1HE      TYR  24   6.940  10.789   1.704
  181    HH   TYR  24           HH       TYR  24   7.252  13.758   1.376
  182    H    ASP  25           H        ASP  25   2.364   7.593  -2.763
  183    HA   ASP  25           HA       ASP  25   0.363   8.800  -4.342
  184    HB2  ASP  25           2HB      ASP  25   1.198   5.897  -4.217
  185    HB3  ASP  25           1HB      ASP  25   0.275   6.644  -5.519
  186    H    CYS  26           H        CYS  26   0.174   6.177  -1.940
  187    HA   CYS  26           HA       CYS  26  -2.547   5.571  -2.265
  188    HB2  CYS  26           2HB      CYS  26  -0.707   5.366   0.121
  189    HB3  CYS  26           1HB      CYS  26  -2.370   4.782   0.150
  190    H    LYS  27           H        LYS  27  -0.937   7.935  -0.154
  191    HA   LYS  27           HA       LYS  27  -3.170   8.875   1.235
  192    HB2  LYS  27           2HB      LYS  27  -0.587  10.159   0.380
  193    HB3  LYS  27           1HB      LYS  27  -1.817  11.090   1.233
  194    HG2  LYS  27           2HG      LYS  27  -1.676   9.740   3.161
  195    HG3  LYS  27           1HG      LYS  27  -0.883   8.426   2.290
  196    HD2  LYS  27           2HD      LYS  27   0.755   9.611   3.674
  197    HD3  LYS  27           1HD      LYS  27   1.111   9.877   1.967
  198    HE2  LYS  27           2HE      LYS  27  -0.612  11.801   3.526
  199    HE3  LYS  27           1HE      LYS  27   1.145  11.942   3.517
  200    HZ1  LYS  27           3HZ      LYS  27   0.889  13.063   1.632
  201    HZ2  LYS  27           1HZ      LYS  27  -0.739  12.614   1.478
  202    HZ3  LYS  27           2HZ      LYS  27   0.483  11.586   0.895
  203    H    LEU  28           H        LEU  28  -1.860   9.820  -1.912
  204    HA   LEU  28           HA       LEU  28  -3.756  11.894  -2.417
  205    HB2  LEU  28           2HB      LEU  28  -2.025  10.291  -4.317
  206    HB3  LEU  28           1HB      LEU  28  -2.919  11.751  -4.740
  207    HG   LEU  28           HG       LEU  28  -0.832  11.620  -2.546
  208   HD11  LEU  28          1HD1      LEU  28  -0.662  12.529  -5.432
  209   HD12  LEU  28          2HD1      LEU  28   0.299  11.276  -4.646
  210   HD13  LEU  28          3HD1      LEU  28   0.527  12.968  -4.207
  211   HD21  LEU  28          3HD2      LEU  28  -2.176  13.459  -2.039
  212   HD22  LEU  28          1HD2      LEU  28  -2.585  13.755  -3.730
  213   HD23  LEU  28          2HD2      LEU  28  -0.992  14.198  -3.117
  214    H    ASP  29           H        ASP  29  -3.526   8.484  -3.396
  215    HA   ASP  29           HA       ASP  29  -6.121   8.690  -4.743
  216    HB2  ASP  29           2HB      ASP  29  -4.030   6.513  -4.676
  217    HB3  ASP  29           1HB      ASP  29  -5.564   6.382  -5.535
  218    H    LYS  30           H        LYS  30  -4.590   6.331  -2.514
  219    HA   LYS  30           HA       LYS  30  -7.201   5.281  -1.840
  220    HB2  LYS  30           2HB      LYS  30  -4.404   4.566  -0.959
  221    HB3  LYS  30           1HB      LYS  30  -5.851   3.725  -0.398
  222    HG2  LYS  30           2HG      LYS  30  -6.451   3.151  -2.702
  223    HG3  LYS  30           1HG      LYS  30  -5.066   4.061  -3.308
  224    HD2  LYS  30           2HD      LYS  30  -3.614   2.528  -1.853
  225    HD3  LYS  30           1HD      LYS  30  -5.046   1.513  -1.683
  226    HE2  LYS  30           2HE      LYS  30  -3.883   0.609  -3.545
  227    HE3  LYS  30           1HE      LYS  30  -5.185   1.567  -4.250
  228    HZ1  LYS  30           3HZ      LYS  30  -3.356   2.266  -5.432
  229    HZ2  LYS  30           1HZ      LYS  30  -2.309   2.172  -4.101
  230    HZ3  LYS  30           2HZ      LYS  30  -3.434   3.440  -4.209
  231    H    HIS  31           H        HIS  31  -5.582   7.929  -0.725
  232    HA   HIS  31           HA       HIS  31  -5.785   9.231   1.164
  233    HB2  HIS  31           2HB      HIS  31  -8.215   7.537   1.759
  234    HB3  HIS  31           1HB      HIS  31  -7.909   9.200   2.258
  235    HD2  HIS  31           2HD      HIS  31  -9.337   7.282  -0.798
  236    HE1  HIS  31           1HE      HIS  31  -9.083  11.351  -1.896
  237    HE2  HIS  31           2HE      HIS  31  -9.982   9.077  -2.582
  238    H    ALA  32           H        ALA  32  -4.545   6.378   1.282
  239    HA   ALA  32           HA       ALA  32  -4.913   5.441   3.942
  240    HB1  ALA  32           1HB      ALA  32  -3.821   4.268   1.869
  241    HB2  ALA  32           2HB      ALA  32  -3.205   3.923   3.485
  242    HB3  ALA  32           3HB      ALA  32  -2.344   5.050   2.437
  243    H    ARG  33           H        ARG  33  -3.485   5.655   5.749
  244    HA   ARG  33           HA       ARG  33  -2.437   8.332   6.019
  245    HB2  ARG  33           2HB      ARG  33  -2.354   5.996   7.940
  246    HB3  ARG  33           1HB      ARG  33  -1.940   7.666   8.329
  247    HG2  ARG  33           2HG      ARG  33  -4.610   7.076   7.093
  248    HG3  ARG  33           1HG      ARG  33  -4.374   6.775   8.816
  249    HD2  ARG  33           2HD      ARG  33  -3.881   9.402   7.387
  250    HD3  ARG  33           1HD      ARG  33  -5.233   9.047   8.459
  251    HE   ARG  33           HE       ARG  33  -2.658   8.632   9.699
  252   HH11  ARG  33          1HH2      ARG  33  -5.128  10.910   8.868
  253   HH12  ARG  33          2HH2      ARG  33  -4.728  12.017  10.139
  254   HH21  ARG  33          1HH1      ARG  33  -2.128  10.080  11.369
  255   HH22  ARG  33          2HH1      ARG  33  -3.030  11.547  11.554
  256    H    SER  34           H        SER  34  -1.076   5.063   5.862
  257    HA   SER  34           HA       SER  34   1.594   6.291   5.524
  258    HB2  SER  34           2HB      SER  34   0.812   4.802   7.697
  259    HB3  SER  34           1HB      SER  34   1.583   3.598   6.669
  260    HG   SER  34           HG       SER  34   3.382   5.024   6.532
  261    H    GLY  35           H        GLY  35  -0.780   4.360   4.155
  262    HA2  GLY  35           2HA      GLY  35  -0.698   2.585   2.612
  263    HA3  GLY  35           1HA      GLY  35   0.189   3.836   1.747
  264    H    GLU  36           H        GLU  36   0.365   0.765   3.241
  265    HA   GLU  36           HA       GLU  36   3.306   0.723   2.907
  266    HB2  GLU  36           2HB      GLU  36   1.576  -0.964   4.734
  267    HB3  GLU  36           1HB      GLU  36   3.324  -1.118   4.556
  268    HG2  GLU  36           2HG      GLU  36   1.904   1.415   5.436
  269    HG3  GLU  36           1HG      GLU  36   2.664   0.264   6.534
  270    H    CYS  37           H        CYS  37   4.148  -0.701   1.498
  271    HA   CYS  37           HA       CYS  37   2.279  -2.564   0.170
  272    HB2  CYS  37           2HB      CYS  37   4.681  -1.039  -0.790
  273    HB3  CYS  37           1HB      CYS  37   4.138  -2.489  -1.637
  274    H    PHE  38           H        PHE  38   2.793  -4.695  -0.084
  275    HA   PHE  38           HA       PHE  38   5.357  -5.627   1.044
  276    HB2  PHE  38           2HB      PHE  38   2.643  -6.881   1.533
  277    HB3  PHE  38           1HB      PHE  38   4.190  -7.515   2.095
  278    HD1  PHE  38           1HD      PHE  38   1.757  -4.746   2.434
  279    HD2  PHE  38           2HD      PHE  38   5.354  -6.527   3.961
  280    HE1  PHE  38           1HE      PHE  38   1.631  -3.286   4.434
  281    HE2  PHE  38           2HE      PHE  38   5.228  -5.068   5.963
  282    HZ   PHE  38           HZ       PHE  38   3.367  -3.447   6.199
  283    H    TYR  39           H        TYR  39   5.853  -7.895   0.370
  284    HA   TYR  39           HA       TYR  39   5.127  -8.237  -2.457
  285    HB2  TYR  39           2HB      TYR  39   7.319  -9.532  -0.817
  286    HB3  TYR  39           1HB      TYR  39   7.069  -9.749  -2.549
  287    HD1  TYR  39           1HD      TYR  39   7.609  -7.089   0.032
  288    HD2  TYR  39           2HD      TYR  39   8.060  -8.266  -4.075
  289    HE1  TYR  39           1HE      TYR  39   8.912  -5.028  -0.416
  290    HE2  TYR  39           2HE      TYR  39   9.364  -6.204  -4.523
  291    HH   TYR  39           HH       TYR  39   9.585  -3.632  -2.205
  292    H    ASP  40           H        ASP  40   3.868  -9.860  -3.137
  293    HA   ASP  40           HA       ASP  40   3.053 -11.891  -1.154
  294    HB2  ASP  40           2HB      ASP  40   1.019 -12.143  -2.438
  295    HB3  ASP  40           1HB      ASP  40   1.267 -10.429  -2.107
  296    H    GLU  41           H        GLU  41   2.003 -13.808  -2.763
  297    HA   GLU  41           HA       GLU  41   4.318 -15.223  -3.633
  298    HB2  GLU  41           2HB      GLU  41   1.373 -15.789  -4.039
  299    HB3  GLU  41           1HB      GLU  41   2.672 -16.917  -4.427
  300    HG2  GLU  41           2HG      GLU  41   1.954 -17.541  -2.251
  301    HG3  GLU  41           1HG      GLU  41   3.437 -16.625  -1.996
  302    H    LYS  42           H        LYS  42   1.920 -13.246  -5.235
  303    HA   LYS  42           HA       LYS  42   2.583 -14.075  -7.904
  304    HB2  LYS  42           2HB      LYS  42   1.211 -11.537  -6.986
  305    HB3  LYS  42           1HB      LYS  42   1.180 -12.223  -8.612
  306    HG2  LYS  42           2HG      LYS  42   0.092 -14.269  -7.690
  307    HG3  LYS  42           1HG      LYS  42   0.046 -13.498  -6.104
  308    HD2  LYS  42           2HD      LYS  42  -1.264 -11.615  -7.125
  309    HD3  LYS  42           1HD      LYS  42  -1.331 -12.538  -8.628
  310    HE2  LYS  42           2HE      LYS  42  -3.365 -13.034  -7.481
  311    HE3  LYS  42           1HE      LYS  42  -2.332 -14.444  -7.249
  312    HZ1  LYS  42           3HZ      LYS  42  -3.549 -13.141  -5.262
  313    HZ2  LYS  42           1HZ      LYS  42  -2.044 -12.358  -5.262
  314    HZ3  LYS  42           2HZ      LYS  42  -2.123 -14.044  -5.067
  315    H    ARG  43           H        ARG  43   4.479 -12.641  -5.744
  316    HA   ARG  43           HA       ARG  43   6.359 -11.328  -5.838
  317    HB2  ARG  43           2HB      ARG  43   6.130 -11.762  -8.826
  318    HB3  ARG  43           1HB      ARG  43   7.576 -11.267  -7.944
  319    HG2  ARG  43           2HG      ARG  43   7.809 -13.369  -6.904
  320    HG3  ARG  43           1HG      ARG  43   6.139 -13.822  -7.242
  321    HD2  ARG  43           2HD      ARG  43   8.343 -13.491  -9.297
  322    HD3  ARG  43           1HD      ARG  43   7.664 -15.021  -8.747
  323    HE   ARG  43           HE       ARG  43   5.647 -13.258  -9.781
  324   HH11  ARG  43          1HH2      ARG  43   8.169 -15.482 -10.600
  325   HH12  ARG  43          2HH2      ARG  43   7.472 -15.926 -12.123
  326   HH21  ARG  43          1HH1      ARG  43   4.728 -13.835 -11.777
  327   HH22  ARG  43          2HH1      ARG  43   5.524 -14.994 -12.789
  328    H    ASN  44           H        ASN  44   3.496 -10.274  -6.460
  329    HA   ASN  44           HA       ASN  44   4.232  -7.723  -7.725
  330    HB2  ASN  44           2HB      ASN  44   2.069  -7.539  -8.404
  331    HB3  ASN  44           1HB      ASN  44   2.050  -9.282  -8.136
  332   HD21  ASN  44          1HD2      ASN  44  -0.027  -6.957  -7.692
  333   HD22  ASN  44          2HD2      ASN  44  -0.615  -7.280  -6.133
  334    H    LEU  45           H        LEU  45   3.603  -5.724  -6.716
  335    HA   LEU  45           HA       LEU  45   4.033  -5.793  -3.841
  336    HB2  LEU  45           2HB      LEU  45   3.582  -3.365  -5.583
  337    HB3  LEU  45           1HB      LEU  45   4.361  -3.430  -4.002
  338    HG   LEU  45           HG       LEU  45   5.408  -4.867  -6.455
  339   HD11  LEU  45          1HD1      LEU  45   7.214  -3.033  -6.256
  340   HD12  LEU  45          2HD1      LEU  45   6.033  -2.154  -5.285
  341   HD13  LEU  45          3HD1      LEU  45   5.667  -2.566  -6.961
  342   HD21  LEU  45          3HD2      LEU  45   6.408  -4.414  -3.641
  343   HD22  LEU  45          1HD2      LEU  45   7.513  -4.812  -4.956
  344   HD23  LEU  45          2HD2      LEU  45   6.234  -5.940  -4.508
  345    H    GLN  46           H        GLN  46   2.262  -6.336  -2.693
  346    HA   GLN  46           HA       GLN  46  -0.389  -5.481  -3.461
  347    HB2  GLN  46           2HB      GLN  46   0.695  -6.972  -1.067
  348    HB3  GLN  46           1HB      GLN  46  -1.012  -6.561  -1.252
  349    HG2  GLN  46           2HG      GLN  46   0.584  -8.107  -3.312
  350    HG3  GLN  46           1HG      GLN  46  -0.423  -8.865  -2.081
  351   HE21  GLN  46          1HE2      GLN  46  -0.705  -8.659  -5.154
  352   HE22  GLN  46          2HE2      GLN  46  -2.287  -8.086  -5.372
  353    H    CYS  47           H        CYS  47  -1.120  -3.498  -3.087
  354    HA   CYS  47           HA       CYS  47   0.145  -1.753  -1.160
  355    HB2  CYS  47           2HB      CYS  47  -2.386  -1.219  -2.716
  356    HB3  CYS  47           1HB      CYS  47  -1.257  -0.042  -2.043
  357    H    ILE  48           H        ILE  48  -0.263  -2.223   0.933
  358    HA   ILE  48           HA       ILE  48  -3.042  -2.780   1.738
  359    HB   ILE  48           HB       ILE  48  -0.528  -3.048   3.399
  360   HG12  ILE  48          2HG1      ILE  48  -2.036  -5.110   1.757
  361   HG13  ILE  48          1HG1      ILE  48  -0.389  -4.546   1.466
  362   HG21  ILE  48          1HG2      ILE  48  -3.259  -4.316   3.731
  363   HG22  ILE  48          2HG2      ILE  48  -2.779  -2.825   4.543
  364   HG23  ILE  48          3HG2      ILE  48  -1.924  -4.329   4.885
  365   HD11  ILE  48          3HD1      ILE  48  -0.044  -6.543   2.650
  366   HD12  ILE  48          1HD1      ILE  48  -1.424  -6.262   3.712
  367   HD13  ILE  48          2HD1      ILE  48   0.054  -5.320   3.917
  368    H    CYS  49           H        CYS  49  -4.045  -0.848   1.987
  369    HA   CYS  49           HA       CYS  49  -2.710   1.453   3.103
  370    HB2  CYS  49           2HB      CYS  49  -5.619   0.937   2.456
  371    HB3  CYS  49           1HB      CYS  49  -4.964   2.494   2.963
  372    H    ASP  50           H        ASP  50  -2.659   2.105   5.171
  373    HA   ASP  50           HA       ASP  50  -4.132   0.489   7.155
  374    HB2  ASP  50           2HB      ASP  50  -2.462   1.116   8.749
  375    HB3  ASP  50           1HB      ASP  50  -1.612   0.630   7.282
  376    H    TYR  51           H        TYR  51  -5.339   1.463   8.779
  377    HA   TYR  51           HA       TYR  51  -5.934   4.329   8.348
  378    HB2  TYR  51           2HB      TYR  51  -7.672   2.061   9.332
  379    HB3  TYR  51           1HB      TYR  51  -8.094   3.751   9.600
  380    HD1  TYR  51           1HD      TYR  51  -6.760   1.683   6.763
  381    HD2  TYR  51           2HD      TYR  51  -9.582   4.648   8.063
  382    HE1  TYR  51           1HE      TYR  51  -7.677   1.817   4.465
  383    HE2  TYR  51           2HE      TYR  51 -10.501   4.784   5.763
  384    HH   TYR  51           HH       TYR  51  -8.946   3.190   3.072
  385    H    CYS  52           H        CYS  52  -4.486   5.264   9.745
  386    HA   CYS  52           HA       CYS  52  -3.962   6.195  11.796
  387    HB2  CYS  52           2HB      CYS  52  -5.729   4.201  13.181
  388    HB3  CYS  52           1HB      CYS  52  -5.339   5.857  13.650
  389    H    GLU  53           H        GLU  53  -4.551   2.731  12.473
  390    HA   GLU  53           HA       GLU  53  -2.029   2.566  13.899
  391    HB2  GLU  53           2HB      GLU  53  -4.087   0.432  13.284
  392    HB3  GLU  53           1HB      GLU  53  -2.717   0.254  14.380
  393    HG2  GLU  53           2HG      GLU  53  -4.891   2.344  14.690
  394    HG3  GLU  53           1HG      GLU  53  -4.851   0.813  15.564
  395    H    TYR  54           H        TYR  54  -0.166   1.726  13.175
  396    HA   TYR  54           HA       TYR  54  -0.026  -0.135  10.992
  397    HB2  TYR  54           2HB      TYR  54   1.083   1.240   9.372
  398    HB3  TYR  54           1HB      TYR  54  -0.399   2.081   9.831
  399    HD1  TYR  54           1HD      TYR  54   3.273   2.048  10.105
  400    HD2  TYR  54           2HD      TYR  54  -0.338   4.094  11.215
  401    HE1  TYR  54           1HE      TYR  54   4.607   4.011  10.826
  402    HE2  TYR  54           2HE      TYR  54   0.997   6.056  11.936
  403    HH   TYR  54           HH       TYR  54   3.043   7.013  11.865
  Start of MODEL   20
    1    H1   ASP   2           H        ASP   2 -12.720  -4.080  14.524
    2    HA   ASP   2           HA       ASP   2 -12.088  -2.932  12.374
    3    HB2  ASP   2           2HB      ASP   2 -11.117  -1.699  14.959
    4    HB3  ASP   2           1HB      ASP   2 -11.211  -0.823  13.431
    5    H    LYS   3           H        LYS   3 -10.573  -3.939  11.084
    6    HA   LYS   3           HA       LYS   3  -7.791  -4.086  11.892
    7    HB2  LYS   3           2HB      LYS   3  -7.607  -4.847   9.394
    8    HB3  LYS   3           1HB      LYS   3  -8.373  -5.913  10.571
    9    HG2  LYS   3           2HG      LYS   3 -10.133  -3.923   9.228
   10    HG3  LYS   3           1HG      LYS   3  -9.551  -5.263   8.239
   11    HD2  LYS   3           2HD      LYS   3 -10.534  -6.887   9.658
   12    HD3  LYS   3           1HD      LYS   3 -10.765  -5.723  10.963
   13    HE2  LYS   3           2HE      LYS   3 -12.183  -5.659   8.284
   14    HE3  LYS   3           1HE      LYS   3 -12.897  -6.190   9.807
   15    HZ1  LYS   3           3HZ      LYS   3 -12.057  -3.481   9.004
   16    HZ2  LYS   3           1HZ      LYS   3 -12.167  -3.895  10.645
   17    HZ3  LYS   3           2HZ      LYS   3 -13.542  -3.991   9.652
   18    H    CYS   4           H        CYS   4  -6.432  -2.436  11.709
   19    HA   CYS   4           HA       CYS   4  -7.074  -0.026  10.346
   20    HB2  CYS   4           2HB      CYS   4  -4.289  -0.849  11.145
   21    HB3  CYS   4           1HB      CYS   4  -4.981   0.772  11.090
   22    H    LYS   5           H        LYS   5  -5.304  -2.915   9.467
   23    HA   LYS   5           HA       LYS   5  -4.231  -1.710   7.042
   24    HB2  LYS   5           2HB      LYS   5  -4.151  -4.605   7.908
   25    HB3  LYS   5           1HB      LYS   5  -3.151  -3.835   6.677
   26    HG2  LYS   5           2HG      LYS   5  -3.166  -3.029   9.599
   27    HG3  LYS   5           1HG      LYS   5  -1.979  -4.116   8.877
   28    HD2  LYS   5           2HD      LYS   5  -1.567  -2.228   7.164
   29    HD3  LYS   5           1HD      LYS   5  -2.427  -1.187   8.301
   30    HE2  LYS   5           2HE      LYS   5   0.009  -1.105   8.696
   31    HE3  LYS   5           1HE      LYS   5  -0.834  -1.802  10.079
   32    HZ1  LYS   5           3HZ      LYS   5   1.259  -2.945   8.906
   33    HZ2  LYS   5           1HZ      LYS   5   0.005  -3.676   8.027
   34    HZ3  LYS   5           2HZ      LYS   5   0.052  -3.821   9.720
   35    H    LYS   6           H        LYS   6  -5.137  -1.798   5.087
   36    HA   LYS   6           HA       LYS   6  -7.179  -3.840   4.532
   37    HB2  LYS   6           2HB      LYS   6  -7.517  -0.855   4.156
   38    HB3  LYS   6           1HB      LYS   6  -8.537  -2.054   3.359
   39    HG2  LYS   6           2HG      LYS   6  -9.304  -2.920   5.476
   40    HG3  LYS   6           1HG      LYS   6  -8.134  -1.940   6.359
   41    HD2  LYS   6           2HD      LYS   6 -10.397  -0.934   6.426
   42    HD3  LYS   6           1HD      LYS   6  -9.247   0.112   5.593
   43    HE2  LYS   6           2HE      LYS   6 -11.573  -0.319   4.488
   44    HE3  LYS   6           1HE      LYS   6 -10.130  -0.387   3.476
   45    HZ1  LYS   6           3HZ      LYS   6 -11.556  -2.690   4.690
   46    HZ2  LYS   6           1HZ      LYS   6 -10.087  -2.808   3.850
   47    HZ3  LYS   6           2HZ      LYS   6 -11.488  -2.292   3.040
   48    H    VAL   7           H        VAL   7  -6.823  -4.794   2.633
   49    HA   VAL   7           HA       VAL   7  -4.619  -4.007   0.993
   50    HB   VAL   7           HB       VAL   7  -5.366  -6.367   1.346
   51   HG11  VAL   7          1HG1      VAL   7  -7.526  -5.708  -0.665
   52   HG12  VAL   7          2HG1      VAL   7  -7.832  -5.730   1.071
   53   HG13  VAL   7          3HG1      VAL   7  -7.313  -7.202   0.247
   54   HG21  VAL   7          3HG2      VAL   7  -3.899  -5.739  -0.541
   55   HG22  VAL   7          1HG2      VAL   7  -5.318  -5.386  -1.527
   56   HG23  VAL   7          2HG2      VAL   7  -4.995  -7.040  -1.005
   57    H    TYR   8           H        TYR   8  -4.551  -2.925  -0.891
   58    HA   TYR   8           HA       TYR   8  -7.092  -2.172  -2.182
   59    HB2  TYR   8           2HB      TYR   8  -4.986  -0.368  -1.078
   60    HB3  TYR   8           1HB      TYR   8  -5.755   0.092  -2.598
   61    HD1  TYR   8           2HD      TYR   8  -8.147   0.598  -2.707
   62    HD2  TYR   8           1HD      TYR   8  -6.275  -0.519   0.996
   63    HE1  TYR   8           2HE      TYR   8 -10.144   1.379  -1.460
   64    HE2  TYR   8           1HE      TYR   8  -8.273   0.261   2.241
   65    HH   TYR   8           HH       TYR   8 -10.675   2.180   0.843
   66    H    GLU   9           H        GLU   9  -6.418  -3.909  -3.639
   67    HA   GLU   9           HA       GLU   9  -4.047  -3.868  -5.149
   68    HB2  GLU   9           2HB      GLU   9  -6.760  -4.867  -6.043
   69    HB3  GLU   9           1HB      GLU   9  -5.189  -5.357  -6.680
   70    HG2  GLU   9           2HG      GLU   9  -5.647  -7.075  -5.165
   71    HG3  GLU   9           1HG      GLU   9  -4.669  -5.979  -4.190
   72    H    ASN  10           H        ASN  10  -5.632  -3.982  -7.756
   73    HA   ASN  10           HA       ASN  10  -5.692  -2.558  -9.579
   74    HB2  ASN  10           2HB      ASN  10  -7.325  -0.967  -7.587
   75    HB3  ASN  10           1HB      ASN  10  -7.367  -0.778  -9.339
   76   HD21  ASN  10          1HD2      ASN  10  -9.776  -1.418  -8.159
   77   HD22  ASN  10          2HD2      ASN  10 -10.173  -3.041  -8.454
   78    H    TYR  11           H        TYR  11  -3.617  -2.036  -7.315
   79    HA   TYR  11           HA       TYR  11  -2.611   0.391  -8.557
   80    HB2  TYR  11           2HB      TYR  11  -3.566   0.285  -5.725
   81    HB3  TYR  11           1HB      TYR  11  -2.193   1.315  -6.137
   82    HD1  TYR  11           1HD      TYR  11  -5.793   0.720  -6.643
   83    HD2  TYR  11           2HD      TYR  11  -2.449   3.225  -7.649
   84    HE1  TYR  11           1HE      TYR  11  -7.344   2.422  -7.567
   85    HE2  TYR  11           2HE      TYR  11  -4.002   4.926  -8.571
   86    HH   TYR  11           HH       TYR  11  -6.285   5.027  -9.485
   87    HA   PRO  12           HA       PRO  12   0.790  -2.275  -6.715
   88    HB2  PRO  12           2HB      PRO  12   0.637  -4.506  -8.511
   89    HB3  PRO  12           1HB      PRO  12   0.285  -4.505  -6.774
   90    HG2  PRO  12           2HG      PRO  12  -1.590  -4.973  -8.710
   91    HG3  PRO  12           1HG      PRO  12  -1.960  -4.331  -7.100
   92    HD2  PRO  12           2HD      PRO  12  -1.579  -2.786  -9.675
   93    HD3  PRO  12           1HD      PRO  12  -2.886  -2.641  -8.477
   94    H    VAL  13           H        VAL  13   2.496  -1.136  -7.570
   95    HA   VAL  13           HA       VAL  13   3.056  -1.438 -10.452
   96    HB   VAL  13           HB       VAL  13   3.311   1.194  -9.007
   97   HG11  VAL  13          1HG1      VAL  13   3.059   0.600 -11.961
   98   HG12  VAL  13          2HG1      VAL  13   4.617   0.690 -11.136
   99   HG13  VAL  13          3HG1      VAL  13   3.569   2.107 -11.201
  100   HG21  VAL  13          3HG2      VAL  13   1.000   0.084 -10.621
  101   HG22  VAL  13          1HG2      VAL  13   1.208   1.802 -10.279
  102   HG23  VAL  13          2HG2      VAL  13   0.960   0.663  -8.955
  103    H    SER  14           H        SER  14   5.219  -1.376 -11.034
  104    HA   SER  14           HA       SER  14   7.144  -2.248  -9.210
  105    HB2  SER  14           2HB      SER  14   8.777  -1.777 -10.936
  106    HB3  SER  14           1HB      SER  14   7.318  -2.391 -11.709
  107    HG   SER  14           HG       SER  14   6.826   0.061 -11.704
  108    H    LYS  15           H        LYS  15   6.061   0.953 -10.082
  109    HA   LYS  15           HA       LYS  15   8.177   2.463  -8.957
  110    HB2  LYS  15           2HB      LYS  15   5.251   3.147  -9.337
  111    HB3  LYS  15           1HB      LYS  15   6.501   4.308  -8.891
  112    HG2  LYS  15           2HG      LYS  15   7.744   3.696 -10.976
  113    HG3  LYS  15           1HG      LYS  15   6.385   2.670 -11.438
  114    HD2  LYS  15           2HD      LYS  15   4.887   4.668 -11.304
  115    HD3  LYS  15           1HD      LYS  15   6.304   5.667 -10.980
  116    HE2  LYS  15           2HE      LYS  15   5.730   4.059 -13.482
  117    HE3  LYS  15           1HE      LYS  15   5.858   5.813 -13.343
  118    HZ1  LYS  15           3HZ      LYS  15   8.189   5.465 -12.603
  119    HZ2  LYS  15           1HZ      LYS  15   7.897   4.999 -14.208
  120    HZ3  LYS  15           2HZ      LYS  15   8.025   3.819 -12.991
  121    H    CYS  16           H        CYS  16   5.391   0.853  -7.603
  122    HA   CYS  16           HA       CYS  16   5.318   2.184  -5.101
  123    HB2  CYS  16           2HB      CYS  16   4.492  -0.661  -5.738
  124    HB3  CYS  16           1HB      CYS  16   3.977   0.295  -4.348
  125    H    GLN  17           H        GLN  17   7.471  -0.133  -6.450
  126    HA   GLN  17           HA       GLN  17   8.438  -1.614  -4.374
  127    HB2  GLN  17           2HB      GLN  17  10.599  -1.589  -5.461
  128    HB3  GLN  17           1HB      GLN  17   9.354  -1.578  -6.711
  129    HG2  GLN  17           2HG      GLN  17   9.561   0.983  -6.659
  130    HG3  GLN  17           1HG      GLN  17  11.049   0.727  -5.748
  131   HE21  GLN  17          1HE2      GLN  17  11.778   1.889  -7.946
  132   HE22  GLN  17          2HE2      GLN  17  12.259   0.831  -9.182
  133    H    LEU  18           H        LEU  18   8.355   1.792  -4.609
  134    HA   LEU  18           HA       LEU  18  10.357   2.164  -2.494
  135    HB2  LEU  18           2HB      LEU  18   8.765   4.238  -4.023
  136    HB3  LEU  18           1HB      LEU  18  10.130   4.544  -2.950
  137    HG   LEU  18           HG       LEU  18  10.255   2.882  -5.485
  138   HD11  LEU  18          1HD1      LEU  18  11.056   5.732  -4.854
  139   HD12  LEU  18          2HD1      LEU  18   9.978   5.169  -6.131
  140   HD13  LEU  18          3HD1      LEU  18  11.709   4.847  -6.231
  141   HD21  LEU  18          3HD2      LEU  18  12.785   3.343  -4.989
  142   HD22  LEU  18          1HD2      LEU  18  11.961   2.069  -4.088
  143   HD23  LEU  18          2HD2      LEU  18  12.231   3.645  -3.342
  144    H    ALA  19           H        ALA  19   9.502   1.647  -0.548
  145    HA   ALA  19           HA       ALA  19   6.908   1.649   0.305
  146    HB1  ALA  19           1HB      ALA  19   8.809   0.862   1.670
  147    HB2  ALA  19           2HB      ALA  19   7.755   1.942   2.584
  148    HB3  ALA  19           3HB      ALA  19   9.290   2.536   1.950
  149    H    ASN  20           H        ASN  20   8.764   4.376  -0.579
  150    HA   ASN  20           HA       ASN  20   7.278   6.309   0.979
  151    HB2  ASN  20           2HB      ASN  20   9.196   6.627  -1.342
  152    HB3  ASN  20           1HB      ASN  20   8.497   7.966  -0.434
  153   HD21  ASN  20          1HD2      ASN  20  11.375   6.716  -0.646
  154   HD22  ASN  20          2HD2      ASN  20  11.848   6.597   0.981
  155    H    GLN  21           H        GLN  21   7.391   5.250  -2.407
  156    HA   GLN  21           HA       GLN  21   5.404   6.991  -3.403
  157    HB2  GLN  21           2HB      GLN  21   6.366   4.270  -4.304
  158    HB3  GLN  21           1HB      GLN  21   5.168   5.207  -5.197
  159    HG2  GLN  21           2HG      GLN  21   7.860   6.339  -4.416
  160    HG3  GLN  21           1HG      GLN  21   7.589   5.505  -5.946
  161   HE21  GLN  21          1HE2      GLN  21   8.282   8.334  -5.720
  162   HE22  GLN  21          2HE2      GLN  21   6.972   9.217  -6.342
  163    H    CYS  22           H        CYS  22   5.249   3.768  -1.970
  164    HA   CYS  22           HA       CYS  22   2.609   3.094  -2.479
  165    HB2  CYS  22           2HB      CYS  22   3.905   2.518   0.173
  166    HB3  CYS  22           1HB      CYS  22   2.808   1.505  -0.767
  167    H    ASN  23           H        ASN  23   3.794   4.591   0.547
  168    HA   ASN  23           HA       ASN  23   1.203   5.078   1.571
  169    HB2  ASN  23           2HB      ASN  23   2.398   6.597   3.167
  170    HB3  ASN  23           1HB      ASN  23   3.053   4.963   3.083
  171   HD21  ASN  23          1HD2      ASN  23   4.265   7.839   3.584
  172   HD22  ASN  23          2HD2      ASN  23   5.652   7.822   2.605
  173    H    TYR  24           H        TYR  24   3.486   7.208  -0.137
  174    HA   TYR  24           HA       TYR  24   1.934   9.560   0.043
  175    HB2  TYR  24           2HB      TYR  24   4.194   8.618  -1.642
  176    HB3  TYR  24           1HB      TYR  24   3.264   9.998  -2.230
  177    HD1  TYR  24           1HD      TYR  24   5.007   8.706   0.822
  178    HD2  TYR  24           2HD      TYR  24   3.654  12.148  -1.365
  179    HE1  TYR  24           1HE      TYR  24   6.176  10.187   2.430
  180    HE2  TYR  24           2HE      TYR  24   4.823  13.629   0.244
  181    HH   TYR  24           HH       TYR  24   5.675  13.602   2.481
  182    H    ASP  25           H        ASP  25   2.166   7.108  -2.527
  183    HA   ASP  25           HA       ASP  25   0.314   8.273  -4.295
  184    HB2  ASP  25           2HB      ASP  25   1.075   5.380  -3.873
  185    HB3  ASP  25           1HB      ASP  25   0.109   5.962  -5.227
  186    H    CYS  26           H        CYS  26  -0.153   5.896  -1.688
  187    HA   CYS  26           HA       CYS  26  -2.878   5.390  -2.099
  188    HB2  CYS  26           2HB      CYS  26  -1.272   5.441   0.467
  189    HB3  CYS  26           1HB      CYS  26  -2.906   4.788   0.330
  190    H    LYS  27           H        LYS  27  -1.286   7.885  -0.121
  191    HA   LYS  27           HA       LYS  27  -3.553   9.091   0.969
  192    HB2  LYS  27           2HB      LYS  27  -0.842  10.140   0.192
  193    HB3  LYS  27           1HB      LYS  27  -2.073  11.218   0.847
  194    HG2  LYS  27           2HG      LYS  27  -2.146  10.082   2.909
  195    HG3  LYS  27           1HG      LYS  27  -1.385   8.638   2.243
  196    HD2  LYS  27           2HD      LYS  27   0.175   9.973   3.661
  197    HD3  LYS  27           1HD      LYS  27   0.736   9.822   1.995
  198    HE2  LYS  27           2HE      LYS  27   0.077  12.040   1.458
  199    HE3  LYS  27           1HE      LYS  27  -0.912  12.181   2.911
  200    HZ1  LYS  27           3HZ      LYS  27   1.061  13.346   3.354
  201    HZ2  LYS  27           1HZ      LYS  27   2.041  12.118   2.713
  202    HZ3  LYS  27           2HZ      LYS  27   1.223  11.871   4.182
  203    H    LEU  28           H        LEU  28  -1.929   9.667  -2.126
  204    HA   LEU  28           HA       LEU  28  -3.661  11.750  -3.002
  205    HB2  LEU  28           2HB      LEU  28  -1.915   9.861  -4.601
  206    HB3  LEU  28           1HB      LEU  28  -2.655  11.338  -5.213
  207    HG   LEU  28           HG       LEU  28  -0.751  11.254  -2.856
  208   HD11  LEU  28          1HD1      LEU  28   0.527  10.643  -4.788
  209   HD12  LEU  28          2HD1      LEU  28   0.816  12.365  -4.537
  210   HD13  LEU  28          3HD1      LEU  28  -0.301  11.831  -5.794
  211   HD21  LEU  28          3HD2      LEU  28  -2.219  13.398  -4.369
  212   HD22  LEU  28          1HD2      LEU  28  -0.653  13.771  -3.648
  213   HD23  LEU  28          2HD2      LEU  28  -1.986  13.226  -2.630
  214    H    ASP  29           H        ASP  29  -3.634   8.239  -3.460
  215    HA   ASP  29           HA       ASP  29  -6.014   8.406  -5.158
  216    HB2  ASP  29           2HB      ASP  29  -4.189   6.115  -4.432
  217    HB3  ASP  29           1HB      ASP  29  -5.608   5.957  -5.465
  218    H    LYS  30           H        LYS  30  -5.025   6.369  -2.374
  219    HA   LYS  30           HA       LYS  30  -7.847   5.813  -1.872
  220    HB2  LYS  30           2HB      LYS  30  -5.473   4.675  -0.403
  221    HB3  LYS  30           1HB      LYS  30  -7.097   3.998  -0.541
  222    HG2  LYS  30           2HG      LYS  30  -5.099   4.351  -2.795
  223    HG3  LYS  30           1HG      LYS  30  -5.614   2.823  -2.081
  224    HD2  LYS  30           2HD      LYS  30  -7.999   3.489  -2.752
  225    HD3  LYS  30           1HD      LYS  30  -7.254   4.744  -3.742
  226    HE2  LYS  30           2HE      LYS  30  -5.990   3.078  -4.987
  227    HE3  LYS  30           1HE      LYS  30  -6.585   1.794  -3.936
  228    HZ1  LYS  30           3HZ      LYS  30  -8.205   3.484  -5.760
  229    HZ2  LYS  30           1HZ      LYS  30  -8.853   2.365  -4.664
  230    HZ3  LYS  30           2HZ      LYS  30  -7.867   1.829  -5.939
  231    H    HIS  31           H        HIS  31  -5.905   8.251  -0.928
  232    HA   HIS  31           HA       HIS  31  -5.956   9.747   0.822
  233    HB2  HIS  31           2HB      HIS  31  -8.589   8.427   1.505
  234    HB3  HIS  31           1HB      HIS  31  -8.074  10.064   1.906
  235    HD2  HIS  31           2HD      HIS  31  -7.538  11.639  -0.636
  236    HE1  HIS  31           1HE      HIS  31 -10.513   9.480  -2.713
  237    HE2  HIS  31           2HE      HIS  31  -9.047  11.554  -2.765
  238    H    ALA  32           H        ALA  32  -5.030   6.826   1.228
  239    HA   ALA  32           HA       ALA  32  -5.545   6.141   3.936
  240    HB1  ALA  32           1HB      ALA  32  -3.924   4.472   3.668
  241    HB2  ALA  32           2HB      ALA  32  -2.985   5.433   2.525
  242    HB3  ALA  32           3HB      ALA  32  -4.511   4.707   2.021
  243    H    ARG  33           H        ARG  33  -3.507   5.954   5.476
  244    HA   ARG  33           HA       ARG  33  -2.478   8.698   5.735
  245    HB2  ARG  33           2HB      ARG  33  -2.626   6.411   7.707
  246    HB3  ARG  33           1HB      ARG  33  -1.881   7.973   8.053
  247    HG2  ARG  33           2HG      ARG  33  -4.067   9.065   7.417
  248    HG3  ARG  33           1HG      ARG  33  -4.779   7.454   7.335
  249    HD2  ARG  33           2HD      ARG  33  -3.956   7.095   9.712
  250    HD3  ARG  33           1HD      ARG  33  -3.574   8.814   9.753
  251    HE   ARG  33           HE       ARG  33  -6.172   7.659  10.016
  252   HH11  ARG  33          1HH2      ARG  33  -4.417  10.324   8.676
  253   HH12  ARG  33          2HH2      ARG  33  -5.758  11.418   8.736
  254   HH21  ARG  33          1HH1      ARG  33  -7.937   9.089  10.097
  255   HH22  ARG  33          2HH1      ARG  33  -7.751  10.719   9.541
  256    H    SER  34           H        SER  34  -1.151   5.502   6.610
  257    HA   SER  34           HA       SER  34   1.378   6.296   5.302
  258    HB2  SER  34           2HB      SER  34   0.983   5.141   8.058
  259    HB3  SER  34           1HB      SER  34   2.538   5.150   7.232
  260    HG   SER  34           HG       SER  34   2.280   7.443   7.044
  261    H    GLY  35           H        GLY  35  -0.750   4.506   4.352
  262    HA2  GLY  35           2HA      GLY  35  -0.524   1.838   4.725
  263    HA3  GLY  35           1HA      GLY  35  -0.724   2.534   3.119
  264    H    GLU  36           H        GLU  36   0.609   0.181   3.305
  265    HA   GLU  36           HA       GLU  36   3.320   0.952   2.510
  266    HB2  GLU  36           2HB      GLU  36   2.760  -1.198   4.569
  267    HB3  GLU  36           1HB      GLU  36   4.336  -0.847   3.858
  268    HG2  GLU  36           2HG      GLU  36   4.427   0.387   5.839
  269    HG3  GLU  36           1HG      GLU  36   3.861   1.597   4.689
  270    H    CYS  37           H        CYS  37   4.417  -0.788   1.327
  271    HA   CYS  37           HA       CYS  37   2.458  -2.455  -0.119
  272    HB2  CYS  37           2HB      CYS  37   5.017  -1.116  -0.881
  273    HB3  CYS  37           1HB      CYS  37   4.533  -2.578  -1.740
  274    H    PHE  38           H        PHE  38   2.631  -4.620  -0.184
  275    HA   PHE  38           HA       PHE  38   5.008  -5.852   1.075
  276    HB2  PHE  38           2HB      PHE  38   2.129  -6.780   1.218
  277    HB3  PHE  38           1HB      PHE  38   3.513  -7.652   1.876
  278    HD1  PHE  38           1HD      PHE  38   1.445  -4.599   2.176
  279    HD2  PHE  38           2HD      PHE  38   4.621  -6.925   3.894
  280    HE1  PHE  38           1HE      PHE  38   1.321  -3.241   4.247
  281    HE2  PHE  38           2HE      PHE  38   4.497  -5.567   5.965
  282    HZ   PHE  38           HZ       PHE  38   2.847  -3.725   6.141
  283    H    TYR  39           H        TYR  39   5.434  -8.080   0.342
  284    HA   TYR  39           HA       TYR  39   5.008  -8.275  -2.550
  285    HB2  TYR  39           2HB      TYR  39   6.843  -9.779  -0.670
  286    HB3  TYR  39           1HB      TYR  39   6.746 -10.064  -2.408
  287    HD1  TYR  39           1HD      TYR  39   7.610  -7.564   0.193
  288    HD2  TYR  39           2HD      TYR  39   7.733  -8.548  -3.986
  289    HE1  TYR  39           1HE      TYR  39   9.165  -5.674  -0.206
  290    HE2  TYR  39           2HE      TYR  39   9.289  -6.659  -4.385
  291    HH   TYR  39           HH       TYR  39  10.040  -4.666  -3.433
  292    H    ASP  40           H        ASP  40   3.582  -9.638  -3.417
  293    HA   ASP  40           HA       ASP  40   2.229 -11.566  -1.671
  294    HB2  ASP  40           2HB      ASP  40   0.578 -11.724  -3.473
  295    HB3  ASP  40           1HB      ASP  40   0.848 -10.040  -3.029
  296    H    GLU  41           H        GLU  41   1.381 -13.453  -3.442
  297    HA   GLU  41           HA       GLU  41   3.646 -15.160  -3.655
  298    HB2  GLU  41           2HB      GLU  41   0.861 -15.410  -4.814
  299    HB3  GLU  41           1HB      GLU  41   2.067 -16.697  -4.813
  300    HG2  GLU  41           2HG      GLU  41   0.732 -17.113  -2.892
  301    HG3  GLU  41           1HG      GLU  41   2.198 -16.356  -2.273
  302    H    LYS  42           H        LYS  42   1.909 -13.112  -5.925
  303    HA   LYS  42           HA       LYS  42   3.323 -14.117  -8.239
  304    HB2  LYS  42           2HB      LYS  42   1.654 -11.609  -7.951
  305    HB3  LYS  42           1HB      LYS  42   2.138 -12.382  -9.460
  306    HG2  LYS  42           2HG      LYS  42   0.889 -14.422  -8.794
  307    HG3  LYS  42           1HG      LYS  42   0.361 -13.598  -7.326
  308    HD2  LYS  42           2HD      LYS  42  -0.674 -11.821  -8.756
  309    HD3  LYS  42           1HD      LYS  42  -0.257 -12.779 -10.179
  310    HE2  LYS  42           2HE      LYS  42  -1.697 -14.562  -9.527
  311    HE3  LYS  42           1HE      LYS  42  -1.882 -13.915  -7.897
  312    HZ1  LYS  42           3HZ      LYS  42  -3.792 -13.492  -9.420
  313    HZ2  LYS  42           1HZ      LYS  42  -2.779 -12.486 -10.337
  314    HZ3  LYS  42           2HZ      LYS  42  -3.128 -12.094  -8.721
  315    H    ARG  43           H        ARG  43   4.508 -12.556  -5.739
  316    HA   ARG  43           HA       ARG  43   6.328 -11.206  -5.373
  317    HB2  ARG  43           2HB      ARG  43   6.903 -11.390  -8.330
  318    HB3  ARG  43           1HB      ARG  43   8.048 -11.174  -7.005
  319    HG2  ARG  43           2HG      ARG  43   6.408 -13.656  -7.596
  320    HG3  ARG  43           1HG      ARG  43   8.158 -13.486  -7.741
  321    HD2  ARG  43           2HD      ARG  43   6.474 -13.623  -5.257
  322    HD3  ARG  43           1HD      ARG  43   7.936 -14.520  -5.654
  323    HE   ARG  43           HE       ARG  43   7.798 -11.823  -4.552
  324   HH11  ARG  43          1HH2      ARG  43   9.653 -14.298  -6.105
  325   HH12  ARG  43          2HH2      ARG  43  11.183 -13.659  -5.603
  326   HH21  ARG  43          1HH1      ARG  43   9.801 -10.979  -3.891
  327   HH22  ARG  43          2HH1      ARG  43  11.266 -11.780  -4.350
  328    H    ASN  44           H        ASN  44   3.653 -10.209  -6.511
  329    HA   ASN  44           HA       ASN  44   4.467  -7.686  -7.747
  330    HB2  ASN  44           2HB      ASN  44   2.150  -9.319  -7.860
  331    HB3  ASN  44           1HB      ASN  44   1.667  -7.792  -7.124
  332   HD21  ASN  44          1HD2      ASN  44   0.661  -6.760  -8.905
  333   HD22  ASN  44          2HD2      ASN  44   1.453  -6.439 -10.372
  334    H    LEU  45           H        LEU  45   4.028  -5.655  -6.834
  335    HA   LEU  45           HA       LEU  45   4.178  -5.613  -3.936
  336    HB2  LEU  45           2HB      LEU  45   4.070  -3.261  -5.834
  337    HB3  LEU  45           1HB      LEU  45   4.663  -3.273  -4.172
  338    HG   LEU  45           HG       LEU  45   5.877  -4.927  -6.401
  339   HD11  LEU  45          1HD1      LEU  45   6.417  -2.745  -7.053
  340   HD12  LEU  45          2HD1      LEU  45   7.774  -3.161  -6.006
  341   HD13  LEU  45          3HD1      LEU  45   6.462  -2.156  -5.392
  342   HD21  LEU  45          3HD2      LEU  45   6.429  -5.922  -4.330
  343   HD22  LEU  45          1HD2      LEU  45   6.564  -4.364  -3.516
  344   HD23  LEU  45          2HD2      LEU  45   7.805  -4.871  -4.663
  345    H    GLN  46           H        GLN  46   2.261  -6.027  -2.967
  346    HA   GLN  46           HA       GLN  46  -0.207  -4.869  -3.983
  347    HB2  GLN  46           2HB      GLN  46   0.436  -6.685  -1.655
  348    HB3  GLN  46           1HB      GLN  46  -1.183  -6.048  -1.952
  349    HG2  GLN  46           2HG      GLN  46   0.416  -7.567  -4.027
  350    HG3  GLN  46           1HG      GLN  46  -0.754  -8.332  -2.953
  351   HE21  GLN  46          1HE2      GLN  46  -1.271  -8.461  -5.689
  352   HE22  GLN  46          2HE2      GLN  46  -2.559  -7.428  -6.085
  353    H    CYS  47           H        CYS  47  -0.920  -2.928  -3.410
  354    HA   CYS  47           HA       CYS  47   0.358  -1.465  -1.254
  355    HB2  CYS  47           2HB      CYS  47  -1.925  -0.630  -3.058
  356    HB3  CYS  47           1HB      CYS  47  -0.945   0.427  -2.042
  357    H    ILE  48           H        ILE  48  -0.295  -1.724   0.781
  358    HA   ILE  48           HA       ILE  48  -3.149  -2.290   1.292
  359    HB   ILE  48           HB       ILE  48  -0.797  -2.758   3.138
  360   HG12  ILE  48          2HG1      ILE  48  -2.307  -4.676   1.333
  361   HG13  ILE  48          1HG1      ILE  48  -0.624  -4.184   1.143
  362   HG21  ILE  48          1HG2      ILE  48  -3.640  -3.812   3.214
  363   HG22  ILE  48          2HG2      ILE  48  -3.068  -2.444   4.169
  364   HG23  ILE  48          3HG2      ILE  48  -2.391  -4.051   4.436
  365   HD11  ILE  48          3HD1      ILE  48  -0.392  -5.047   3.617
  366   HD12  ILE  48          1HD1      ILE  48  -0.383  -6.202   2.286
  367   HD13  ILE  48          2HD1      ILE  48  -1.852  -5.958   3.232
  368    H    CYS  49           H        CYS  49  -4.205  -0.460   1.749
  369    HA   CYS  49           HA       CYS  49  -2.926   1.853   2.871
  370    HB2  CYS  49           2HB      CYS  49  -5.835   1.177   2.406
  371    HB3  CYS  49           1HB      CYS  49  -5.262   2.745   2.974
  372    H    ASP  50           H        ASP  50  -2.551   2.267   4.948
  373    HA   ASP  50           HA       ASP  50  -3.931   0.644   6.987
  374    HB2  ASP  50           2HB      ASP  50  -2.091   1.103   8.442
  375    HB3  ASP  50           1HB      ASP  50  -1.405   0.660   6.878
  376    H    TYR  51           H        TYR  51  -4.933   1.593   8.759
  377    HA   TYR  51           HA       TYR  51  -5.432   4.497   8.504
  378    HB2  TYR  51           2HB      TYR  51  -7.135   2.290   9.681
  379    HB3  TYR  51           1HB      TYR  51  -7.468   4.002   9.932
  380    HD1  TYR  51           1HD      TYR  51  -6.615   1.691   7.101
  381    HD2  TYR  51           2HD      TYR  51  -8.964   5.015   8.472
  382    HE1  TYR  51           1HE      TYR  51  -7.759   1.788   4.903
  383    HE2  TYR  51           2HE      TYR  51 -10.108   5.114   6.274
  384    HH   TYR  51           HH       TYR  51  -9.014   3.246   3.551
  385    H    CYS  52           H        CYS  52  -3.809   5.342   9.752
  386    HA   CYS  52           HA       CYS  52  -2.989   6.161  11.752
  387    HB2  CYS  52           2HB      CYS  52  -4.652   4.180  13.276
  388    HB3  CYS  52           1HB      CYS  52  -4.140   5.801  13.750
  389    H    GLU  53           H        GLU  53  -3.656   2.747  12.560
  390    HA   GLU  53           HA       GLU  53  -1.094   2.358  13.721
  391    HB2  GLU  53           2HB      GLU  53  -3.123   0.326  12.763
  392    HB3  GLU  53           1HB      GLU  53  -1.729  -0.030  13.783
  393    HG2  GLU  53           2HG      GLU  53  -3.907   1.952  14.504
  394    HG3  GLU  53           1HG      GLU  53  -3.848   0.288  15.084
  395    H    TYR  54           H        TYR  54   0.792   1.692  12.883
  396    HA   TYR  54           HA       TYR  54   0.867   0.433  10.244
  397    HB2  TYR  54           2HB      TYR  54   2.407   2.016   9.304
  398    HB3  TYR  54           1HB      TYR  54   1.024   2.929   9.905
  399    HD1  TYR  54           2HD      TYR  54   1.195   4.316  11.911
  400    HD2  TYR  54           1HD      TYR  54   4.568   2.094  10.449
  401    HE1  TYR  54           2HE      TYR  54   2.698   5.630  13.382
  402    HE2  TYR  54           1HE      TYR  54   6.071   3.409  11.920
  403    HH   TYR  54           HH       TYR  54   5.354   6.233  13.225