*HEADER    SIGNALING PROTEIN                       12-MAR-18   6COV              
*TITLE     CSP2-L14                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: COMPETENCE-STIMULATING PEPTIDE TYPE 2;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 25-41;                                        
*COMPND   5 SYNONYM: CSP-2;                                                      
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE;                       
*SOURCE   4 ORGANISM_TAXID: 1313                                                 
*KEYWDS    PNEUMOCOCCUS, QUORUM SENSING, SIGNALING MOLECULE, CSP, SIGNALING      
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.YANG                                                                
*REVDAT   1   29-AUG-18 6COV    0                                                
# Restraints file 1: CSP2l14_NOErestraint.tbl
assign (resid   2 and name HA  ) (resid   2 and name HB#  )  2.5  0.9  0.9
assign (resid   2 and name HA  ) (resid   2 and (name HG1 or name HG2  )) 2.7  0.9  0.9
assign (resid   2 and name HA  ) (resid   2 and (name HG2 or name HG1  )) 2.6  0.9  0.9
assign (resid   2 and name HB#  ) (resid   2 and (name HG1 or name HG2  )) 2.4  0.8  0.8
assign (resid   2 and name HB#  ) (resid   2 and (name HG2 or name HG1  )) 2.4  0.8  0.8
assign (resid   2 and name HA  ) (resid   3 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   2 and name HA  ) (resid   3 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   2 and name HA  ) (resid   3 and (name HG2 or name HG1  )) 2.7  0.9  1.2
assign (resid   2 and name HA  ) (resid   3 and name HN  )  2.5  0.9  0.9
assign (resid   2 and name HB#  ) (resid   3 and name HA  )  2.9  1.0  1.0
assign (resid   2 and name HB#  ) (resid   3 and name HN  )  2.6  0.9  0.9
assign (resid   2 and (name HG1 or name HG2  )) (resid   3 and name HN  )  3.0  1.0  1.0
assign (resid   2 and (name HG2 or name HG1  )) (resid   3 and name HN  )  2.9  1.0  1.0
assign (resid   2 and name HA  ) (resid   4 and name HD#  )  3.0  1.0  1.4
assign (resid   2 and name HA  ) (resid   4 and (name HG2# or name HD1#  )) 3.1  1.1  1.2
assign (resid   2 and name HB#  ) (resid   4 and name HD#  )  2.7  0.9  0.9
assign (resid   2 and name HB#  ) (resid   4 and (name HG12 or name HG11  )) 2.3  0.8  2.7
assign (resid   2 and name HB#  ) (resid   4 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   2 and name HB#  ) (resid   4 and name HN  )  2.7  0.9  1.7
assign (resid   2 and (name HG1 or name HG2  )) (resid   4 and name HD#  )  2.6  0.9  0.9
assign (resid   2 and (name HG1 or name HG2  )) (resid   4 and (name HG2# or name HD1#  )) 2.8  1.0  1.0
assign (resid   2 and (name HG2 or name HG1  )) (resid   4 and (name HG2# or name HD1#  )) 2.8  1.0  1.0
assign (resid   2 and name HB#  ) (resid   5 and name HA  )  2.3  0.8  1.8
assign (resid   2 and name HB#  ) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and name HD#  )  2.6  0.9  1.1
assign (resid   3 and name HA  ) (resid   3 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and name HN  )  2.6  0.9  0.9
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HD#  )  2.5  0.9  0.9
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and (name HG2 or name HG1  )) 2.4  0.8  0.8
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HN  )  2.6  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HD#  )  2.5  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HN  )  2.6  0.9  0.9
assign (resid   3 and name HD#  ) (resid   3 and name HE  )  2.9  1.0  1.0
assign (resid   3 and name HD#  ) (resid   3 and (name HG1 or name HG2  )) 2.3  0.8  0.8
assign (resid   3 and name HD#  ) (resid   3 and (name HG2 or name HG1  )) 2.4  0.8  0.8
assign (resid   3 and name HD#  ) (resid   3 and name HN  )  2.9  1.0  1.0
assign (resid   3 and (name HG1 or name HG2  )) (resid   3 and name HN  )  2.7  0.9  0.9
assign (resid   3 and (name HG2 or name HG1  )) (resid   3 and name HN  )  2.8  1.0  1.0
assign (resid   3 and name HA  ) (resid   4 and name HA  )  2.9  1.0  1.1
assign (resid   3 and name HA  ) (resid   4 and name HD#  )  3.0  1.0  1.0
assign (resid   3 and name HA  ) (resid   4 and (name HG12 or name HG11  )) 2.8  1.0  1.4
assign (resid   3 and name HA  ) (resid   4 and (name HG2# or name HD1#  )) 2.7  0.9  0.9
assign (resid   3 and name HA  ) (resid   4 and name HN  )  2.7  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   4 and name HN  )  2.7  0.9  0.9
assign (resid   3 and name HD#  ) (resid   4 and name HD#  )  2.7  0.9  0.9
assign (resid   3 and name HD#  ) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   3 and (name HG1 or name HG2  )) (resid   4 and name HN  )  2.8  1.0  1.0
assign (resid   3 and (name HG2 or name HG1  )) (resid   4 and name HA  )  2.5  0.9  1.8
assign (resid   3 and (name HG2 or name HG1  )) (resid   4 and name HB  )  2.4  0.8  3.0
assign (resid   3 and (name HG2 or name HG1  )) (resid   4 and (name HG12 or name HG11  )) 2.3  0.8  0.8
assign (resid   3 and (name HG2 or name HG1  )) (resid   4 and (name HG2# or name HD1#  )) 2.3  0.8  0.8
assign (resid   3 and (name HG2 or name HG1  )) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   3 and name HN  ) (resid   4 and name HA  )  2.9  1.0  2.3
assign (resid   3 and name HN  ) (resid   4 and name HD#  )  3.1  1.1  1.1
assign (resid   3 and name HN  ) (resid   4 and (name HG2# or name HD1#  )) 2.9  1.0  1.0
assign (resid   3 and name HN  ) (resid   4 and name HN  )  2.8  1.0  1.0
assign (resid   3 and name HA  ) (resid   5 and name HN  )  2.7  0.9  0.9
assign (resid   3 and (name HG2 or name HG1  )) (resid   5 and name HA  )  2.8  1.0  3.9
assign (resid   3 and (name HG2 or name HG1  )) (resid   5 and name HN  )  2.8  1.0  1.6
assign (resid   3 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 2.7  0.9  1.2
assign (resid   3 and name HA  ) (resid   6 and (name HB2 or name HB1  )) 2.4  0.8  1.5
assign (resid   3 and name HD#  ) (resid   7 and name HN  )  2.9  1.0  4.5
assign (resid   4 and name HA  ) (resid   4 and name HB  )  2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and name HD#  )  2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   4 and name HB  ) (resid   4 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid   4 and name HB  ) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   4 and name HD#  ) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   4 and (name HG12 or name HG11  )) (resid   4 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   4 and (name HG12 or name HG11  )) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   4 and (name HG2# or name HD1#  )) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   4 and name HB  ) (resid   5 and name HA  )  2.8  1.0  1.0
assign (resid   4 and name HB  ) (resid   5 and name HN  )  2.5  0.9  0.9
assign (resid   4 and (name HG12 or name HG11  )) (resid   5 and name HN  )  2.9  1.0  1.0
assign (resid   4 and (name HG2# or name HD1#  )) (resid   5 and name HA  )  2.5  0.9  0.9
assign (resid   4 and name HN  ) (resid   5 and name HA  )  3.1  1.1  2.1
assign (resid   4 and name HN  ) (resid   5 and name HN  )  2.7  0.9  0.9
assign (resid   4 and name HB  ) (resid   6 and name HN  )  2.7  0.9  1.9
assign (resid   4 and name HD#  ) (resid   6 and name HD#  )  2.8  1.0  1.3
assign (resid   4 and name HD#  ) (resid   6 and (name HG1 or name HG2  )) 2.4  0.8  1.5
assign (resid   4 and name HB  ) (resid   7 and (name HG2# or name HD1#  )) 2.3  0.8  0.8
assign (resid   4 and name HD#  ) (resid   7 and name HA  )  2.5  0.9  3.5
assign (resid   4 and name HD#  ) (resid   7 and name HB  )  2.4  0.8  1.6
assign (resid   4 and name HN  ) (resid   7 and name HA  )  3.0  1.0  3.4
assign (resid   4 and name HN  ) (resid   7 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   4 and name HB  ) (resid   8 and name HD#  )  2.6  0.9  0.9
assign (resid   5 and name HA  ) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   5 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.5  0.9  0.9
assign (resid   5 and (name HB2 or name HB1  )) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   5 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 2.6  0.9  2.0
assign (resid   5 and name HA  ) (resid   6 and (name HG2 or name HG1  )) 2.5  0.9  1.9
assign (resid   5 and name HA  ) (resid   6 and name HN  )  2.8  1.0  1.0
assign (resid   5 and (name HB2 or name HB1  )) (resid   6 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid   5 and (name HB2 or name HB1  )) (resid   6 and name HD#  )  2.9  1.0  1.0
assign (resid   5 and (name HB2 or name HB1  )) (resid   6 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid   5 and name HN  ) (resid   6 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid   5 and name HN  ) (resid   6 and name HN  )  2.7  0.9  0.9
assign (resid   5 and name HA  ) (resid   7 and name HN  )  3.0  1.0  1.0
assign (resid   5 and (name HB2 or name HB1  )) (resid   7 and (name HG12 or name HG11  )) 2.6  0.9  2.5
assign (resid   5 and (name HB2 or name HB1  )) (resid   7 and (name HG2# or name HD1#  )) 2.4  0.8  2.2
assign (resid   5 and (name HB2 or name HB1  )) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   5 and name HN  ) (resid   7 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   5 and name HN  ) (resid   7 and name HN  )  3.1  1.1  1.1
assign (resid   5 and name HA  ) (resid   8 and name HB  )  2.5  0.9  0.9
assign (resid   5 and name HA  ) (resid   8 and name HD#  )  2.5  0.9  0.9
assign (resid   5 and name HA  ) (resid   8 and (name HG11 or name HG12  )) 2.7  0.9  0.9
assign (resid   5 and name HA  ) (resid   8 and (name HG12 or name HG11  )) 2.9  1.0  1.0
assign (resid   5 and name HA  ) (resid   8 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   5 and name HA  ) (resid   8 and name HN  )  2.8  1.0  1.0
assign (resid   5 and (name HB2 or name HB1  )) (resid   8 and name HN  )  2.8  1.0  1.0
assign (resid   5 and name HN  ) (resid   8 and name HB  )  2.8  1.0  2.5
assign (resid   5 and name HN  ) (resid   8 and name HD#  )  3.0  1.0  1.0
assign (resid   5 and name HN  ) (resid   8 and (name HG11 or name HG12  )) 2.7  0.9  0.9
assign (resid   5 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.6  0.9  1.6
assign (resid   5 and name HA  ) (resid   9 and name HN  )  2.9  1.0  1.0
assign (resid   5 and (name HB2 or name HB1  )) (resid   9 and name HN  )  3.1  1.1  1.1
assign (resid   6 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and (name HB2 or name HB1  )) 2.3  0.8  0.8
assign (resid   6 and name HA  ) (resid   6 and name HD#  )  2.5  0.9  1.4
assign (resid   6 and name HA  ) (resid   6 and name HE  )  3.2  1.1  1.1
assign (resid   6 and name HA  ) (resid   6 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HD#  )  2.5  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HE  )  3.1  1.1  1.1
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and (name HG2 or name HG1  )) 2.6  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HD#  )  2.5  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HE  )  3.1  1.1  1.1
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HN  )  2.6  0.9  0.9
assign (resid   6 and name HD#  ) (resid   6 and name HE  )  2.6  0.9  0.9
assign (resid   6 and name HD#  ) (resid   6 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid   6 and name HE  ) (resid   6 and (name HG1 or name HG2  )) 2.9  1.0  1.0
assign (resid   6 and name HE  ) (resid   6 and (name HG2 or name HG1  )) 2.9  1.0  1.0
assign (resid   6 and name HA  ) (resid   7 and (name HG11 or name HG12  )) 2.5  0.9  1.6
assign (resid   6 and name HA  ) (resid   7 and name HN  )  2.7  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   7 and (name HG11 or name HG12  )) 2.5  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   7 and (name HG11 or name HG12  )) 2.5  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   7 and name HN  )  2.7  0.9  0.9
assign (resid   6 and name HD#  ) (resid   7 and name HA  )  2.9  1.0  1.6
assign (resid   6 and (name HG1 or name HG2  )) (resid   7 and name HA  )  2.5  0.9  0.9
assign (resid   6 and (name HG1 or name HG2  )) (resid   7 and name HB  )  2.4  0.8  0.8
assign (resid   6 and (name HG1 or name HG2  )) (resid   7 and name HD#  )  2.4  0.8  0.8
assign (resid   6 and (name HG1 or name HG2  )) (resid   7 and (name HG12 or name HG11  )) 2.4  0.8  0.8
assign (resid   6 and (name HG1 or name HG2  )) (resid   7 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   6 and (name HG1 or name HG2  )) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   6 and (name HG2 or name HG1  )) (resid   7 and name HA  )  2.7  0.9  0.9
assign (resid   6 and (name HG2 or name HG1  )) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   6 and name HN  ) (resid   7 and name HA  )  2.5  0.9  1.9
assign (resid   6 and name HN  ) (resid   7 and (name HG11 or name HG12  )) 2.7  0.9  0.9
assign (resid   6 and name HN  ) (resid   7 and (name HG12 or name HG11  )) 3.0  1.0  1.0
assign (resid   6 and name HN  ) (resid   7 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   6 and name HN  ) (resid   7 and name HN  )  2.7  0.9  0.9
assign (resid   6 and name HA  ) (resid   8 and name HN  )  2.8  1.0  1.0
assign (resid   6 and (name HG1 or name HG2  )) (resid   8 and name HN  )  2.8  1.0  1.0
assign (resid   6 and name HD#  ) (resid   9 and (name HD1# or name HD2#  )) 2.6  0.9  1.9
assign (resid   6 and (name HG2 or name HG1  )) (resid  10 and name HN  )  3.0  1.0  1.3
assign (resid   7 and name HA  ) (resid   7 and name HB  )  2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and (name HG11 or name HG12  )) 2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   7 and name HA  ) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   7 and name HB  ) (resid   7 and name HD#  )  2.4  0.8  0.8
assign (resid   7 and name HB  ) (resid   7 and (name HG12 or name HG11  )) 2.7  0.9  0.9
assign (resid   7 and name HB  ) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   7 and name HD#  ) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   7 and (name HG11 or name HG12  )) (resid   7 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   7 and (name HG11 or name HG12  )) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   7 and (name HG12 or name HG11  )) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   7 and (name HG2# or name HD1#  )) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   8 and name HB  )  2.6  0.9  2.5
assign (resid   7 and name HA  ) (resid   8 and name HD#  )  2.6  0.9  1.2
assign (resid   7 and name HA  ) (resid   8 and (name HG11 or name HG12  )) 2.8  1.0  1.6
assign (resid   7 and name HA  ) (resid   8 and name HN  )  2.6  0.9  0.9
assign (resid   7 and name HB  ) (resid   8 and name HA  )  2.8  1.0  1.4
assign (resid   7 and name HB  ) (resid   8 and name HD#  )  2.6  0.9  0.9
assign (resid   7 and name HB  ) (resid   8 and (name HG12 or name HG11  )) 2.8  1.0  1.0
assign (resid   7 and name HB  ) (resid   8 and name HN  )  2.6  0.9  0.9
assign (resid   7 and name HD#  ) (resid   8 and name HN  )  2.9  1.0  1.1
assign (resid   7 and (name HG11 or name HG12  )) (resid   8 and name HN  )  2.8  1.0  1.0
assign (resid   7 and (name HG12 or name HG11  )) (resid   8 and name HN  )  2.7  0.9  0.9
assign (resid   7 and (name HG2# or name HD1#  )) (resid   8 and name HA  )  2.6  0.9  0.9
assign (resid   7 and (name HG2# or name HD1#  )) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   7 and name HN  ) (resid   8 and name HA  )  3.0  1.0  1.4
assign (resid   7 and name HN  ) (resid   8 and name HD#  )  2.7  0.9  0.9
assign (resid   7 and name HN  ) (resid   8 and (name HG11 or name HG12  )) 2.4  0.8  0.8
assign (resid   7 and name HN  ) (resid   8 and (name HG12 or name HG11  )) 3.1  1.1  1.1
assign (resid   7 and name HN  ) (resid   8 and name HN  )  2.6  0.9  0.9
assign (resid   7 and name HA  ) (resid   9 and name HN  )  2.9  1.0  1.0
assign (resid   7 and name HB  ) (resid   9 and name HN  )  2.9  1.0  1.5
assign (resid   7 and name HN  ) (resid   9 and name HN  )  3.1  1.1  1.1
assign (resid   7 and name HA  ) (resid  10 and name HA  )  3.0  1.0  1.2
assign (resid   7 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   7 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   7 and name HA  ) (resid  10 and name HN  )  2.7  0.9  0.9
assign (resid   7 and (name HG11 or name HG12  )) (resid  10 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid   7 and (name HG11 or name HG12  )) (resid  10 and name HN  )  3.0  1.0  1.0
assign (resid   7 and name HA  ) (resid  11 and name HN  )  2.9  1.0  1.0
assign (resid   7 and (name HG2# or name HD1#  )) (resid  11 and (name HB1 or name HB2  )) 2.5  0.9  1.4
assign (resid   7 and (name HG2# or name HD1#  )) (resid  11 and name HE#  )  2.7  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and name HD#  )  2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and (name HG11 or name HG12  )) 2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   8 and name HA  ) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   8 and name HB  ) (resid   8 and name HD#  )  2.4  0.8  0.8
assign (resid   8 and name HB  ) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   8 and name HD#  ) (resid   8 and (name HG12 or name HG11  )) 2.4  0.8  0.8
assign (resid   8 and name HD#  ) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   8 and (name HG11 or name HG12  )) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   8 and (name HG12 or name HG11  )) (resid   8 and (name HG2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   8 and (name HG12 or name HG11  )) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   8 and (name HG2# or name HD1#  )) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid   9 and name HA  )  3.0  1.0  1.4
assign (resid   8 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.5  0.9  1.7
assign (resid   8 and name HA  ) (resid   9 and name HN  )  2.8  1.0  1.0
assign (resid   8 and name HD#  ) (resid   9 and (name HB1 or name HB2  )) 2.5  0.9  2.0
assign (resid   8 and name HD#  ) (resid   9 and (name HB2 or name HB1  )) 2.6  0.9  2.0
assign (resid   8 and name HD#  ) (resid   9 and name HN  )  2.7  0.9  0.9
assign (resid   8 and (name HG12 or name HG11  )) (resid   9 and (name HB1 or name HB2  )) 2.5  0.9  1.3
assign (resid   8 and (name HG12 or name HG11  )) (resid   9 and name HN  )  2.8  1.0  1.0
assign (resid   8 and name HN  ) (resid   9 and name HA  )  2.8  1.0  1.4
assign (resid   8 and name HN  ) (resid   9 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   8 and name HN  ) (resid   9 and name HN  )  2.6  0.9  0.9
assign (resid   8 and name HA  ) (resid  10 and name HN  )  3.0  1.0  1.0
assign (resid   8 and name HB  ) (resid  10 and (name HB1 or name HB2  )) 2.6  0.9  2.5
assign (resid   8 and (name HG2# or name HD1#  )) (resid  10 and name HA  )  2.6  0.9  2.9
assign (resid   8 and name HN  ) (resid  10 and name HN  )  3.0  1.0  1.0
assign (resid   8 and name HA  ) (resid  11 and name HA  )  3.0  1.0  1.6
assign (resid   8 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   8 and name HA  ) (resid  11 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   8 and name HA  ) (resid  11 and name HE#  )  2.8  1.0  1.0
assign (resid   8 and name HA  ) (resid  11 and name HN  )  2.7  0.9  0.9
assign (resid   8 and (name HG2# or name HD1#  )) (resid  11 and (name HB1 or name HB2  )) 2.9  1.0  1.0
assign (resid   8 and (name HG2# or name HD1#  )) (resid  11 and name HE#  )  2.7  0.9  0.9
assign (resid   8 and (name HG2# or name HD1#  )) (resid  11 and name HN  )  2.6  0.9  0.9
assign (resid   8 and name HA  ) (resid  12 and (name HB1 or name HB2  )) 2.7  0.9  1.9
assign (resid   8 and name HA  ) (resid  12 and name HN  )  2.9  1.0  1.0
assign (resid   8 and name HB  ) (resid  13 and name HD#  )  3.5  1.2  2.5
assign (resid   9 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   9 and name HA  ) (resid   9 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid   9 and name HA  ) (resid   9 and (name HD1# or name HD2#  )) 2.3  0.8  0.8
assign (resid   9 and name HA  ) (resid   9 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HG  )  2.4  0.8  0.8
assign (resid   9 and name HA  ) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and (name HD1# or name HD2#  )) 2.3  0.8  0.8
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and name HN  )  2.6  0.9  0.9
assign (resid   9 and (name HD1# or name HD2#  )) (resid   9 and name HG  )  2.3  0.8  0.8
assign (resid   9 and (name HD1# or name HD2#  )) (resid   9 and name HN  )  2.4  0.8  0.8
assign (resid   9 and (name HD2# or name HD1#  )) (resid   9 and name HN  )  2.6  0.9  0.9
assign (resid   9 and name HG  ) (resid   9 and name HN  )  2.4  0.8  0.8
assign (resid   9 and name HA  ) (resid  10 and name HA  )  3.0  1.0  1.0
assign (resid   9 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.8  1.0  1.7
assign (resid   9 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 2.7  0.9  1.7
assign (resid   9 and name HA  ) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid  10 and name HA  )  2.7  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.5  0.9  0.9
assign (resid   9 and (name HB2 or name HB1  )) (resid  10 and name HA  )  2.6  0.9  0.9
assign (resid   9 and (name HB2 or name HB1  )) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid   9 and (name HD1# or name HD2#  )) (resid  10 and name HA  )  2.7  0.9  1.3
assign (resid   9 and (name HD1# or name HD2#  )) (resid  10 and (name HB1 or name HB2  )) 2.6  0.9  1.8
assign (resid   9 and (name HD1# or name HD2#  )) (resid  10 and name HN  )  2.5  0.9  0.9
assign (resid   9 and (name HD2# or name HD1#  )) (resid  10 and name HN  )  2.9  1.0  1.0
assign (resid   9 and name HN  ) (resid  10 and name HA  )  3.0  1.0  1.6
assign (resid   9 and name HN  ) (resid  10 and (name HB1 or name HB2  )) 3.0  1.0  1.0
assign (resid   9 and name HN  ) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid  11 and name HN  )  2.9  1.0  1.0
assign (resid   9 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.9  1.0  1.0
assign (resid   9 and (name HB2 or name HB1  )) (resid  11 and name HN  )  2.9  1.0  1.0
assign (resid   9 and (name HD1# or name HD2#  )) (resid  11 and (name HB2 or name HB1  )) 2.5  0.9  2.9
assign (resid   9 and name HN  ) (resid  11 and (name HB2 or name HB1  )) 2.9  1.0  1.4
assign (resid   9 and name HN  ) (resid  11 and name HN  )  2.9  1.0  1.0
assign (resid   9 and name HA  ) (resid  12 and name HA  )  2.7  0.9  1.4
assign (resid   9 and name HA  ) (resid  12 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   9 and name HA  ) (resid  12 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid   9 and name HA  ) (resid  12 and name HN  )  2.7  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid  12 and (name HD1# or name HD2#  )) 2.3  0.8  0.8
assign (resid   9 and (name HB2 or name HB1  )) (resid  12 and name HA  )  3.3  1.2  2.5
assign (resid   9 and (name HB2 or name HB1  )) (resid  12 and (name HD2# or name HD1#  )) 3.0  1.0  1.0
assign (resid   9 and (name HB2 or name HB1  )) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid   9 and name HG  ) (resid  12 and (name HD1# or name HD2#  )) 2.2  0.8  0.8
assign (resid   9 and name HN  ) (resid  12 and name HA  )  2.8  1.0  3.0
assign (resid   9 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.7  0.9  1.4
assign (resid   9 and name HA  ) (resid  13 and name HD#  )  3.0  1.0  1.0
assign (resid   9 and name HA  ) (resid  13 and name HE#  )  2.7  0.9  0.9
assign (resid   9 and name HA  ) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid   9 and (name HB1 or name HB2  )) (resid  13 and name HE#  )  2.9  1.0  1.0
assign (resid   9 and (name HB2 or name HB1  )) (resid  13 and name HD#  )  2.7  0.9  0.9
assign (resid   9 and (name HB2 or name HB1  )) (resid  13 and name HE#  )  2.7  0.9  0.9
assign (resid   9 and (name HB2 or name HB1  )) (resid  13 and name HN  )  3.0  1.0  1.2
assign (resid   9 and (name HD1# or name HD2#  )) (resid  13 and name HA  )  3.1  1.1  2.1
assign (resid   9 and (name HD2# or name HD1#  )) (resid  13 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and name HN  )  2.5  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.5  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  10 and name HN  )  2.5  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HE#  )  2.8  1.0  1.0
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.6  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and name HE#  )  3.0  1.0  1.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and name HN  )  2.6  0.9  0.9
assign (resid  10 and name HN  ) (resid  11 and (name HB1 or name HB2  )) 2.9  1.0  1.0
assign (resid  10 and name HN  ) (resid  11 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid  10 and name HN  ) (resid  11 and name HE#  )  3.2  1.1  1.1
assign (resid  10 and name HN  ) (resid  11 and name HN  )  2.6  0.9  0.9
assign (resid  10 and name HA  ) (resid  12 and (name HB1 or name HB2  )) 2.4  0.8  1.5
assign (resid  10 and (name HB1 or name HB2  )) (resid  12 and (name HD1# or name HD2#  )) 2.5  0.9  2.1
assign (resid  10 and (name HB2 or name HB1  )) (resid  12 and (name HB1 or name HB2  )) 3.1  1.1  1.5
assign (resid  10 and name HN  ) (resid  12 and name HG  )  2.7  0.9  1.5
assign (resid  10 and name HN  ) (resid  12 and name HN  )  3.0  1.0  1.0
assign (resid  10 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid  10 and name HA  ) (resid  13 and name HE#  )  2.9  1.0  2.0
assign (resid  10 and name HA  ) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  10 and name HA  ) (resid  14 and name HA  )  2.7  0.9  1.1
assign (resid  10 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid  10 and name HA  ) (resid  14 and name HG  )  2.6  0.9  0.9
assign (resid  10 and name HA  ) (resid  15 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  10 and name HA  ) (resid  15 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid  10 and name HA  ) (resid  15 and name HD#  )  2.7  0.9  0.9
assign (resid  10 and name HA  ) (resid  15 and name HE  )  3.0  1.0  1.0
assign (resid  10 and name HA  ) (resid  15 and name HN  )  2.6  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  15 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  15 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  15 and (name HG1 or name HG2  )) 2.8  1.0  1.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.9  1.0  1.4
assign (resid  10 and name HA  ) (resid  16 and name HN  )  3.0  1.0  1.2
assign (resid  11 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  11 and name HA  ) (resid  11 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  11 and name HA  ) (resid  11 and name HE#  )  2.5  0.9  1.0
assign (resid  11 and name HA  ) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HE#  )  2.5  0.9  1.0
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HE#  )  2.5  0.9  1.0
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid  11 and name HE#  ) (resid  11 and name HN  )  2.7  0.9  0.9
assign (resid  11 and name HA  ) (resid  12 and name HA  )  3.0  1.0  1.0
assign (resid  11 and name HA  ) (resid  12 and (name HD2# or name HD1#  )) 2.7  0.9  1.8
assign (resid  11 and name HA  ) (resid  12 and name HG  )  2.9  1.0  1.5
assign (resid  11 and name HA  ) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HA  )  2.8  1.0  1.0
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and (name HD2# or name HD1#  )) 2.8  1.0  1.0
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HG  )  2.8  1.0  1.0
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid  11 and (name HB2 or name HB1  )) (resid  12 and name HA  )  2.5  0.9  0.9
assign (resid  11 and (name HB2 or name HB1  )) (resid  12 and (name HD2# or name HD1#  )) 2.6  0.9  0.9
assign (resid  11 and (name HB2 or name HB1  )) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid  11 and name HE#  ) (resid  12 and (name HB1 or name HB2  )) 2.6  0.9  3.8
assign (resid  11 and name HE#  ) (resid  12 and (name HB2 or name HB1  )) 3.0  1.0  3.5
assign (resid  11 and name HE#  ) (resid  12 and name HG  )  2.6  0.9  3.6
assign (resid  11 and name HE#  ) (resid  12 and name HN  )  2.7  0.9  2.5
assign (resid  11 and name HN  ) (resid  12 and name HA  )  2.9  1.0  1.4
assign (resid  11 and name HN  ) (resid  12 and (name HB1 or name HB2  )) 2.9  1.0  1.0
assign (resid  11 and name HN  ) (resid  12 and (name HB2 or name HB1  )) 3.0  1.0  1.0
assign (resid  11 and name HN  ) (resid  12 and (name HD1# or name HD2#  )) 2.6  0.9  1.0
assign (resid  11 and name HN  ) (resid  12 and (name HD2# or name HD1#  )) 2.7  0.9  0.9
assign (resid  11 and name HN  ) (resid  12 and name HG  )  2.7  0.9  0.9
assign (resid  11 and name HN  ) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  13 and name HN  )  2.5  0.9  1.9
assign (resid  11 and name HN  ) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  11 and name HA  ) (resid  14 and name HA  )  3.0  1.0  2.4
assign (resid  11 and name HA  ) (resid  14 and (name HD1# or name HD2#  )) 2.6  0.9  0.9
assign (resid  11 and name HA  ) (resid  14 and name HN  )  2.8  1.0  1.0
assign (resid  11 and (name HB1 or name HB2  )) (resid  14 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid  11 and (name HB2 or name HB1  )) (resid  14 and (name HD2# or name HD1#  )) 2.7  0.9  0.9
assign (resid  11 and name HE#  ) (resid  14 and name HA  )  2.9  1.0  3.6
assign (resid  11 and name HE#  ) (resid  14 and (name HB1 or name HB2  )) 2.9  1.0  1.3
assign (resid  11 and name HE#  ) (resid  14 and (name HB2 or name HB1  )) 3.0  1.0  1.2
assign (resid  11 and name HE#  ) (resid  14 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid  11 and name HE#  ) (resid  14 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  11 and name HE#  ) (resid  14 and name HG  )  3.2  1.1  1.1
assign (resid  11 and name HN  ) (resid  14 and (name HD1# or name HD2#  )) 3.0  1.0  1.0
assign (resid  11 and name HN  ) (resid  14 and (name HD2# or name HD1#  )) 2.8  1.0  1.0
assign (resid  11 and name HE#  ) (resid  15 and (name HG1 or name HG2  )) 2.6  0.9  2.5
assign (resid  12 and name HA  ) (resid  12 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and (name HD2# or name HD1#  )) 2.3  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and name HG  )  2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  12 and (name HB1 or name HB2  )) (resid  12 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid  12 and (name HB1 or name HB2  )) (resid  12 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  12 and (name HB1 or name HB2  )) (resid  12 and name HG  )  2.5  0.9  0.9
assign (resid  12 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  12 and (name HB2 or name HB1  )) (resid  12 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  12 and (name HB2 or name HB1  )) (resid  12 and name HG  )  2.5  0.9  0.9
assign (resid  12 and (name HB2 or name HB1  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  12 and (name HD1# or name HD2#  )) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid  12 and (name HD2# or name HD1#  )) (resid  12 and name HG  )  2.3  0.8  0.8
assign (resid  12 and (name HD2# or name HD1#  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  12 and name HG  ) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.8  1.0  1.9
assign (resid  12 and name HA  ) (resid  13 and name HE#  )  3.0  1.0  1.4
assign (resid  12 and name HA  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  12 and (name HB1 or name HB2  )) (resid  13 and name HD#  )  3.1  1.1  1.1
assign (resid  12 and (name HB1 or name HB2  )) (resid  13 and name HE#  )  2.7  0.9  0.9
assign (resid  12 and (name HB1 or name HB2  )) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  12 and (name HB2 or name HB1  )) (resid  13 and name HA  )  2.9  1.0  1.0
assign (resid  12 and (name HB2 or name HB1  )) (resid  13 and name HD#  )  3.0  1.0  1.0
assign (resid  12 and (name HB2 or name HB1  )) (resid  13 and name HE#  )  2.8  1.0  1.0
assign (resid  12 and (name HB2 or name HB1  )) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  12 and (name HD1# or name HD2#  )) (resid  13 and (name HB1 or name HB2  )) 2.7  0.9  1.5
assign (resid  12 and (name HD1# or name HD2#  )) (resid  13 and (name HB2 or name HB1  )) 3.2  1.1  1.1
assign (resid  12 and (name HD1# or name HD2#  )) (resid  13 and name HD#  )  2.5  0.9  0.9
assign (resid  12 and (name HD1# or name HD2#  )) (resid  13 and name HE#  )  2.5  0.9  0.9
assign (resid  12 and (name HD1# or name HD2#  )) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  12 and (name HD2# or name HD1#  )) (resid  13 and name HA  )  3.2  1.1  1.4
assign (resid  12 and (name HD2# or name HD1#  )) (resid  13 and (name HB2 or name HB1  )) 2.6  0.9  1.6
assign (resid  12 and (name HD2# or name HD1#  )) (resid  13 and name HD#  )  2.7  0.9  0.9
assign (resid  12 and (name HD2# or name HD1#  )) (resid  13 and name HE#  )  2.6  0.9  0.9
assign (resid  12 and (name HD2# or name HD1#  )) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  12 and name HG  ) (resid  13 and name HD#  )  3.0  1.0  1.3
assign (resid  12 and name HG  ) (resid  13 and name HE#  )  2.8  1.0  1.0
assign (resid  12 and name HG  ) (resid  13 and name HN  )  2.6  0.9  1.0
assign (resid  12 and name HN  ) (resid  13 and name HA  )  3.3  1.2  1.2
assign (resid  12 and name HN  ) (resid  13 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid  12 and name HN  ) (resid  13 and name HE#  )  3.0  1.1  1.1
assign (resid  12 and name HN  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  12 and name HA  ) (resid  14 and (name HD2# or name HD1#  )) 2.3  0.8  2.9
assign (resid  12 and (name HB2 or name HB1  )) (resid  14 and name HN  )  3.0  1.0  1.0
assign (resid  12 and name HN  ) (resid  14 and name HN  )  3.0  1.0  1.0
assign (resid  12 and (name HD1# or name HD2#  )) (resid  15 and name HD#  )  2.7  0.9  1.8
assign (resid  12 and (name HD1# or name HD2#  )) (resid  15 and name HN  )  3.1  1.1  2.1
assign (resid  12 and (name HD2# or name HD1#  )) (resid  15 and (name HG1 or name HG2  )) 2.4  0.8  1.7
assign (resid  12 and name HN  ) (resid  16 and name HE#  )  2.7  0.9  3.3
assign (resid  13 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid  13 and name HA  ) (resid  13 and name HD#  )  3.0  1.0  1.0
assign (resid  13 and name HA  ) (resid  13 and name HE#  )  2.5  0.9  1.7
assign (resid  13 and name HA  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and name HD#  )  2.9  1.0  1.0
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and name HE#  )  2.5  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and name HD#  )  2.9  1.0  1.0
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and name HE#  )  2.5  0.9  0.9
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  13 and name HD#  ) (resid  13 and name HE#  )  2.3  0.8  0.8
assign (resid  13 and name HD#  ) (resid  13 and name HN  )  3.1  1.1  1.1
assign (resid  13 and name HE#  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  13 and name HA  ) (resid  14 and (name HD1# or name HD2#  )) 3.2  1.1  1.9
assign (resid  13 and name HA  ) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and name HA  )  3.0  1.0  1.0
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and (name HD1# or name HD2#  )) 2.7  0.9  1.7
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.7  0.9  0.9
assign (resid  13 and (name HB2 or name HB1  )) (resid  14 and (name HB1 or name HB2  )) 5.0  1.8  1.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.7  0.9  0.9
assign (resid  13 and name HE#  ) (resid  14 and name HA  )  3.2  1.1  3.6
assign (resid  13 and name HE#  ) (resid  14 and (name HD1# or name HD2#  )) 3.0  1.0  3.2
assign (resid  13 and name HE#  ) (resid  14 and name HN  )  3.0  1.1  1.6
assign (resid  13 and name HN  ) (resid  14 and name HA  )  2.9  1.0  1.0
assign (resid  13 and name HN  ) (resid  14 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid  13 and name HN  ) (resid  14 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid  13 and name HN  ) (resid  14 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid  13 and name HN  ) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  13 and name HA  ) (resid  15 and name HN  )  3.0  1.0  1.0
assign (resid  13 and (name HB1 or name HB2  )) (resid  15 and (name HG1 or name HG2  )) 2.6  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  15 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.9  1.0  1.0
assign (resid  13 and (name HB2 or name HB1  )) (resid  15 and (name HG2 or name HG1  )) 2.3  0.8  0.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.8  1.0  1.0
assign (resid  13 and name HD#  ) (resid  15 and (name HG2 or name HG1  )) 2.9  1.0  1.0
assign (resid  13 and name HE#  ) (resid  15 and name HD#  )  2.9  1.0  1.0
assign (resid  13 and name HE#  ) (resid  15 and (name HG1 or name HG2  )) 2.9  1.0  1.0
assign (resid  13 and name HE#  ) (resid  15 and (name HG2 or name HG1  )) 2.7  0.9  0.9
assign (resid  13 and name HE#  ) (resid  15 and name HN  )  3.2  1.1  1.5
assign (resid  13 and name HN  ) (resid  15 and (name HG1 or name HG2  )) 2.7  0.9  0.9
assign (resid  13 and name HN  ) (resid  15 and (name HG2 or name HG1  )) 2.8  1.0  1.0
assign (resid  13 and name HN  ) (resid  15 and name HN  )  2.9  1.0  1.0
assign (resid  13 and name HA  ) (resid  16 and name HE#  )  2.5  0.9  1.0
assign (resid  13 and (name HB1 or name HB2  )) (resid  16 and (name HB1 or name HB2  )) 2.4  0.8  2.4
assign (resid  13 and (name HB1 or name HB2  )) (resid  17 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  14 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  14 and name HA  ) (resid  14 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid  14 and name HA  ) (resid  14 and name HG  )  2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HG  )  2.4  0.8  0.8
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  14 and (name HD1# or name HD2#  )) (resid  14 and name HG  )  2.3  0.8  0.8
assign (resid  14 and (name HD1# or name HD2#  )) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  14 and (name HD2# or name HD1#  )) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  14 and name HG  ) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  15 and name HA  )  2.6  0.9  1.6
assign (resid  14 and name HA  ) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  14 and (name HD1# or name HD2#  )) (resid  15 and name HA  )  3.0  1.0  1.5
assign (resid  14 and (name HD1# or name HD2#  )) (resid  15 and (name HG2 or name HG1  )) 2.3  0.8  1.3
assign (resid  14 and (name HD1# or name HD2#  )) (resid  15 and name HN  )  2.6  0.9  1.0
assign (resid  14 and name HG  ) (resid  15 and name HA  )  2.5  0.9  2.9
assign (resid  14 and name HN  ) (resid  15 and name HA  )  3.0  1.0  1.0
assign (resid  14 and name HN  ) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  16 and name HN  )  3.0  1.0  1.0
assign (resid  14 and (name HB1 or name HB2  )) (resid  16 and (name HB2 or name HB1  )) 2.2  0.8  0.8
assign (resid  14 and (name HB1 or name HB2  )) (resid  16 and (name HG1 or name HG2  )) 2.2  0.8  1.0
assign (resid  14 and (name HD1# or name HD2#  )) (resid  16 and name HA  )  3.1  1.1  1.1
assign (resid  14 and (name HD1# or name HD2#  )) (resid  16 and name HE#  )  2.7  0.9  0.9
assign (resid  14 and (name HD1# or name HD2#  )) (resid  16 and name HN  )  2.9  1.0  1.0
assign (resid  14 and name HN  ) (resid  16 and name HN  )  3.0  1.0  1.0
assign (resid  15 and name HA  ) (resid  15 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and name HD#  )  2.6  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HD#  )  2.5  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HE  )  3.0  1.0  1.0
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HD#  )  2.5  0.9  0.9
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HE  )  3.0  1.0  1.0
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  15 and name HD#  ) (resid  15 and name HE  )  2.7  0.9  0.9
assign (resid  15 and name HD#  ) (resid  15 and (name HG1 or name HG2  )) 2.4  0.8  0.8
assign (resid  15 and name HD#  ) (resid  15 and (name HG2 or name HG1  )) 2.4  0.8  0.8
assign (resid  15 and name HD#  ) (resid  15 and name HN  )  2.8  1.0  1.0
assign (resid  15 and name HE  ) (resid  15 and (name HG1 or name HG2  )) 2.9  1.0  1.0
assign (resid  15 and name HE  ) (resid  15 and (name HG2 or name HG1  )) 3.0  1.0  1.0
assign (resid  15 and (name HG1 or name HG2  )) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  15 and (name HG2 or name HG1  )) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  16 and name HN  )  2.4  0.8  0.8
assign (resid  15 and (name HB1 or name HB2  )) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  15 and (name HB2 or name HB1  )) (resid  16 and name HN  )  2.7  0.9  0.9
assign (resid  15 and name HD#  ) (resid  16 and name HN  )  3.0  1.0  1.3
assign (resid  15 and (name HG1 or name HG2  )) (resid  16 and name HN  )  2.5  0.9  1.1
assign (resid  15 and (name HG2 or name HG1  )) (resid  16 and name HN  )  3.0  1.0  1.0
assign (resid  15 and name HN  ) (resid  16 and name HE#  )  2.8  1.0  1.2
assign (resid  15 and name HN  ) (resid  16 and name HN  )  2.7  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and name HN  )  2.4  0.8  0.8
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HE#  )  2.6  0.9  0.9
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  16 and (name HB2 or name HB1  )) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  16 and name HE#  ) (resid  16 and (name HG1 or name HG2  )) 2.8  1.0  1.0
assign (resid  16 and name HE#  ) (resid  16 and (name HG2 or name HG1  )) 2.6  0.9  0.9
assign (resid  16 and name HE#  ) (resid  16 and name HN  )  3.0  1.0  1.0
assign (resid  16 and (name HG1 or name HG2  )) (resid  16 and name HN  )  2.8  1.0  1.0
assign (resid  16 and (name HG2 or name HG1  )) (resid  16 and name HN  )  2.7  0.9  0.9
assign (resid  16 and name HA  ) (resid  17 and name HG#  )  2.7  0.9  1.1
assign (resid  16 and name HA  ) (resid  17 and name HN  )  2.4  0.8  0.8
assign (resid  16 and name HE#  ) (resid  17 and name HG#  )  2.7  0.9  0.9
assign (resid  16 and (name HG1 or name HG2  )) (resid  17 and name HN  )  3.0  1.0  1.0
assign (resid  16 and (name HG2 or name HG1  )) (resid  17 and name HA  )  2.5  0.9  0.9
assign (resid  16 and (name HG2 or name HG1  )) (resid  17 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  16 and name HN  ) (resid  17 and name HA  )  3.0  1.0  1.1
assign (resid  16 and name HN  ) (resid  17 and name HG#  )  2.8  1.0  1.0
assign (resid  16 and name HN  ) (resid  17 and name HN  )  2.8  1.0  1.0
assign (resid  17 and name HA  ) (resid  17 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  17 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  17 and (name HB2 or name HB1  )) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  17 and name HG#  ) (resid  17 and name HN  )  2.6  0.9  0.9
# Restraints file 2: CSP2l14_phi_psi_dihe.tbl
! Phi/Psi Angles From 'Strong' TALOS-N Predictions: 
!    error margins are set to conservative default values of double the 
!    standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0  -78.6   20.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  154.3   36.5 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -61.9   20.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  -35.8   20.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -64.2   20.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  -38.0   20.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -65.7   20.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -42.5   20.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -63.5   20.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -43.9   20.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -63.3   20.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -42.1   20.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -65.1   20.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -37.6   20.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -65.2   20.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -38.2   20.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -67.4   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -39.5   20.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -67.8   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -34.4   20.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name CB   ) (resid    3 and name CG   )    1.0  -60.0   30.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name CB   ) (resid    4 and name CG   )    1.0  -60.0   30.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name CB   ) (resid    9 and name CG   )    1.0  -60.0   30.0 2
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
! Phi/Psi Angles From 'Generous' TALOS-N Predictions: 
!    error margins are set to default values of triple the standard
!    deviation observed in TALOS-N capped at a minimum of +/-20 degree.
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           HT1      GLU   1   7.022  -6.785  -2.283
    2    H2   GLU   1           HT2      GLU   1   6.202  -8.204  -1.837
    3    H3   GLU   1           HT3      GLU   1   5.338  -6.759  -2.060
    4    HA   GLU   1           HA       GLU   1   6.913  -7.903  -4.245
    5    HB2  GLU   1           HB2      GLU   1   4.283  -8.872  -3.103
    6    HB3  GLU   1           HB1      GLU   1   4.393  -8.770  -4.895
    7    HG2  GLU   1           HG2      GLU   1   6.496 -10.260  -3.193
    8    HG3  GLU   1           HG1      GLU   1   5.013 -11.058  -3.854
    9    H    MET   2           HN       MET   2   7.218  -5.742  -5.053
   10    HA   MET   2           HA       MET   2   4.760  -4.673  -6.224
   11    HB2  MET   2           HB2      MET   2   6.491  -3.200  -4.235
   12    HB3  MET   2           HB1      MET   2   6.076  -2.309  -5.756
   13    HG2  MET   2           HG2      MET   2   3.828  -2.205  -5.282
   14    HG3  MET   2           HG1      MET   2   3.809  -3.734  -4.339
   15    HE1  MET   2           HE1      MET   2   5.781  -3.664  -2.028
   16    HE2  MET   2           HE2      MET   2   4.041  -4.103  -2.134
   17    HE3  MET   2           HE3      MET   2   4.615  -3.014  -0.823
   18    H    ARG   3           HN       ARG   3   5.229  -2.902  -7.455
   19    HA   ARG   3           HA       ARG   3   7.338  -3.475  -9.258
   20    HB2  ARG   3           HB2      ARG   3   4.494  -2.719  -9.395
   21    HB3  ARG   3           HB1      ARG   3   5.505  -1.679 -10.430
   22    HG2  ARG   3           HG2      ARG   3   6.350  -3.432 -11.636
   23    HG3  ARG   3           HG1      ARG   3   5.803  -4.661 -10.424
   24    HD2  ARG   3           HD2      ARG   3   3.388  -3.990 -10.975
   25    HD3  ARG   3           HD1      ARG   3   4.048  -2.986 -12.335
   26    HE   ARG   3           HE       ARG   3   3.976  -5.965 -12.199
   27   HH11  ARG   3          HH11      ARG   3   5.220  -3.006 -13.756
   28   HH12  ARG   3          HH12      ARG   3   5.640  -3.785 -15.244
   29   HH21  ARG   3          HH21      ARG   3   4.547  -7.016 -14.222
   30   HH22  ARG   3          HH22      ARG   3   5.250  -6.101 -15.513
   31    H    ILE   4           HN       ILE   4   6.885  -1.015 -10.457
   32    HA   ILE   4           HA       ILE   4   8.737   0.534  -9.926
   33    HB   ILE   4           HB       ILE   4   6.919   2.426 -10.226
   34   HG12  ILE   4          HG12      ILE   4   4.911   1.552 -11.312
   35   HG13  ILE   4          HG11      ILE   4   5.540  -0.124 -11.254
   36   HG21  ILE   4          HG21      ILE   4   8.702   1.858 -11.852
   37   HG22  ILE   4          HG22      ILE   4   7.118   1.931 -12.714
   38   HG23  ILE   4          HG23      ILE   4   7.846   0.332 -12.297
   39   HD11  ILE   4          HD11      ILE   4   5.198  -0.305  -8.842
   40   HD12  ILE   4          HD12      ILE   4   3.730   0.549  -9.470
   41   HD13  ILE   4          HD13      ILE   4   5.050   1.492  -8.683
   42    H    SER   5           HN       SER   5   6.362  -0.033  -7.655
   43    HA   SER   5           HA       SER   5   6.210   2.302  -6.265
   44    HB2  SER   5           HB2      SER   5   6.200  -0.551  -5.398
   45    HB3  SER   5           HB1      SER   5   5.694   0.813  -4.318
   46    HG   SER   5           HG       SER   5   3.812   0.616  -5.180
   47    H    ARG   6           HN       ARG   6   8.191  -0.411  -6.388
   48    HA   ARG   6           HA       ARG   6   9.669  -0.018  -4.048
   49    HB2  ARG   6           HB2      ARG   6  10.807  -1.961  -4.850
   50    HB3  ARG   6           HB1      ARG   6   9.080  -2.128  -5.390
   51    HG2  ARG   6           HG2      ARG   6   9.804  -0.835  -7.480
   52    HG3  ARG   6           HG1      ARG   6  11.497  -1.314  -7.010
   53    HD2  ARG   6           HD2      ARG   6   9.135  -3.237  -7.256
   54    HD3  ARG   6           HD1      ARG   6  10.364  -2.945  -8.571
   55    HE   ARG   6           HE       ARG   6  11.700  -3.561  -6.071
   56   HH11  ARG   6          HH11      ARG   6   9.729  -5.026  -8.653
   57   HH12  ARG   6          HH12      ARG   6  10.415  -6.609  -8.493
   58   HH21  ARG   6          HH21      ARG   6  12.632  -5.718  -5.853
   59   HH22  ARG   6          HH22      ARG   6  12.092  -7.008  -6.873
   60    H    ILE   7           HN       ILE   7   9.455   1.174  -7.210
   61    HA   ILE   7           HA       ILE   7  12.181   1.868  -7.270
   62    HB   ILE   7           HB       ILE   7   9.960   2.015  -9.223
   63   HG12  ILE   7          HG12      ILE   7  12.592   0.557  -9.494
   64   HG13  ILE   7          HG11      ILE   7  11.429   0.001  -8.246
   65   HG21  ILE   7          HG21      ILE   7  11.786   2.775 -10.858
   66   HG22  ILE   7          HG22      ILE   7  12.847   3.072  -9.429
   67   HG23  ILE   7          HG23      ILE   7  11.316   4.010  -9.627
   68   HD11  ILE   7          HD11      ILE   7  10.276   0.488 -10.982
   69   HD12  ILE   7          HD12      ILE   7   9.919  -0.801  -9.760
   70   HD13  ILE   7          HD13      ILE   7  11.391  -0.927 -10.817
   71    H    ILE   8           HN       ILE   8   9.192   3.052  -6.516
   72    HA   ILE   8           HA       ILE   8  10.003   5.804  -6.794
   73    HB   ILE   8           HB       ILE   8   7.988   4.695  -4.900
   74   HG12  ILE   8          HG12      ILE   8   7.367   3.582  -6.786
   75   HG13  ILE   8          HG11      ILE   8   6.295   5.023  -6.837
   76   HG21  ILE   8          HG21      ILE   8   8.877   7.295  -5.347
   77   HG22  ILE   8          HG22      ILE   8   7.233   6.901  -4.713
   78   HG23  ILE   8          HG23      ILE   8   7.464   7.241  -6.471
   79   HD11  ILE   8          HD11      ILE   8   8.007   6.083  -8.446
   80   HD12  ILE   8          HD12      ILE   8   7.159   4.618  -9.085
   81   HD13  ILE   8          HD13      ILE   8   8.851   4.483  -8.468
   82    H    LEU   9           HN       LEU   9   9.669   3.313  -4.653
   83    HA   LEU   9           HA       LEU   9  10.457   4.424  -2.330
   84    HB2  LEU   9           HB2      LEU   9  10.173   1.965  -3.728
   85    HB3  LEU   9           HB1      LEU   9  11.434   1.895  -2.454
   86    HG   LEU   9           HG       LEU   9   8.677   2.962  -1.783
   87   HD11  LEU   9          HD11      LEU   9   8.018   0.546  -1.191
   88   HD12  LEU   9          HD12      LEU   9   9.446   0.001  -2.153
   89   HD13  LEU   9          HD13      LEU   9   8.110   0.899  -2.957
   90   HD21  LEU   9          HD21      LEU   9  10.102   1.095   0.050
   91   HD22  LEU   9          HD22      LEU   9   9.450   2.752   0.354
   92   HD23  LEU   9          HD23      LEU   9  11.083   2.544  -0.413
   93    H    ASP  10           HN       ASP  10  12.122   3.304  -5.061
   94    HA   ASP  10           HA       ASP  10  14.498   3.367  -3.581
   95    HB2  ASP  10           HB2      ASP  10  13.498   3.096  -6.308
   96    HB3  ASP  10           HB1      ASP  10  15.153   3.797  -6.228
   97    H    PHE  11           HN       PHE  11  12.420   5.546  -5.320
   98    HA   PHE  11           HA       PHE  11  14.461   7.559  -5.436
   99    HB2  PHE  11           HB2      PHE  11  11.530   7.492  -6.092
  100    HB3  PHE  11           HB1      PHE  11  12.647   8.874  -6.537
  101    HD1  PHE  11           HD1      PHE  11  11.233   7.508  -8.656
  102    HD2  PHE  11           HD2      PHE  11  14.806   6.408  -6.677
  103    HE1  PHE  11           HE1      PHE  11  11.850   6.003 -10.435
  104    HE2  PHE  11           HE2      PHE  11  15.351   4.957  -8.253
  105    HZ   PHE  11           HZ       PHE  11  13.958   4.702 -10.334
  106    H    LEU  12           HN       LEU  12  12.576   6.231  -3.298
  107    HA   LEU  12           HA       LEU  12  11.925   8.634  -2.043
  108    HB2  LEU  12           HB2      LEU  12  11.487   5.762  -1.672
  109    HB3  LEU  12           HB1      LEU  12  11.051   6.924  -0.348
  110    HG   LEU  12           HG       LEU  12  10.216   7.087  -3.191
  111   HD11  LEU  12          HD11      LEU  12   8.766   5.440  -2.829
  112   HD12  LEU  12          HD12      LEU  12   7.982   6.408  -1.513
  113   HD13  LEU  12          HD13      LEU  12   9.363   5.296  -1.140
  114   HD21  LEU  12          HD21      LEU  12   9.935   8.833  -0.850
  115   HD22  LEU  12          HD22      LEU  12   8.354   8.505  -1.669
  116   HD23  LEU  12          HD23      LEU  12   9.739   9.197  -2.606
  117    H    PHE  13           HN       PHE  13  13.876   5.787  -1.827
  118    HA   PHE  13           HA       PHE  13  15.269   7.054   0.442
  119    HB2  PHE  13           HB2      PHE  13  14.594   4.130   0.143
  120    HB3  PHE  13           HB1      PHE  13  15.281   4.928   1.631
  121    HD1  PHE  13           HD1      PHE  13  12.705   4.068  -0.407
  122    HD2  PHE  13           HD2      PHE  13  13.644   6.460   2.883
  123    HE1  PHE  13           HE1      PHE  13  10.539   4.364  -0.133
  124    HE2  PHE  13           HE2      PHE  13  11.257   6.744   3.312
  125    HZ   PHE  13           HZ       PHE  13   9.599   5.663   1.813
  126    H    DLE  14           HN       DLE  14  15.205   4.977  -2.416
  127    HA   DLE  14           HA       DLE  14  18.062   4.776  -2.095
  128    HB2  DLE  14           HB2      DLE  14  18.298   4.041  -4.402
  129    HB3  DLE  14           HB1      DLE  14  16.514   4.290  -4.610
  130    HG   DLE  14           HG       DLE  14  16.909   6.569  -3.687
  131   HD11  DLE  14          HD11      DLE  14  19.383   5.550  -3.168
  132   HD12  DLE  14          HD12      DLE  14  19.000   7.323  -3.239
  133   HD13  DLE  14          HD13      DLE  14  19.731   6.503  -4.677
  134   HD21  DLE  14          HD21      DLE  14  16.743   5.557  -6.222
  135   HD22  DLE  14          HD22      DLE  14  18.244   6.565  -6.350
  136   HD23  DLE  14          HD23      DLE  14  16.684   7.310  -5.805
  137    H    ARG  15           HN       ARG  15  15.676   3.462  -1.103
  138    HA   ARG  15           HA       ARG  15  15.485   1.506  -0.277
  139    HB2  ARG  15           HB2      ARG  15  15.819   0.902  -3.220
  140    HB3  ARG  15           HB1      ARG  15  15.256  -0.357  -2.042
  141    HG2  ARG  15           HG2      ARG  15  13.952   2.381  -1.925
  142    HG3  ARG  15           HG1      ARG  15  13.523   1.308  -3.322
  143    HD2  ARG  15           HD2      ARG  15  13.617   0.111  -0.507
  144    HD3  ARG  15           HD1      ARG  15  12.181   1.103  -0.997
  145    HE   ARG  15           HE       ARG  15  12.625  -0.628  -3.153
  146   HH11  ARG  15          HH11      ARG  15  12.036  -0.907   0.353
  147   HH12  ARG  15          HH12      ARG  15  11.233  -2.440   0.258
  148   HH21  ARG  15          HH21      ARG  15  11.533  -2.727  -3.278
  149   HH22  ARG  15          HH22      ARG  15  10.944  -3.490  -1.841
  150    H    LYS  16           HN       LYS  16  17.839   2.727  -0.367
  151    HA   LYS  16           HA       LYS  16  19.913   0.739  -0.625
  152    HB2  LYS  16           HB2      LYS  16  21.472   2.698  -0.480
  153    HB3  LYS  16           HB1      LYS  16  20.306   2.833  -1.856
  154    HG2  LYS  16           HG2      LYS  16  18.845   4.271  -0.539
  155    HG3  LYS  16           HG1      LYS  16  19.912   4.121   0.895
  156    HD2  LYS  16           HD2      LYS  16  21.632   5.436  -0.099
  157    HD3  LYS  16           HD1      LYS  16  20.998   5.186  -1.764
  158    HE2  LYS  16           HE2      LYS  16  19.015   6.624  -1.267
  159    HE3  LYS  16           HE1      LYS  16  19.573   6.828   0.446
  160    HZ1  LYS  16           HZ1      LYS  16  21.631   7.808  -0.464
  161    HZ2  LYS  16           HZ2      LYS  16  20.230   8.692  -0.839
  162    HZ3  LYS  16           HZ3      LYS  16  20.968   7.727  -2.025
  163    H    LYS  17           HN       LYS  17  17.791   2.208   1.550
  164    HA   LYS  17           HA       LYS  17  19.568   1.409   3.681
  165    HB2  LYS  17           HB2      LYS  17  17.666   3.778   3.954
  166    HB3  LYS  17           HB1      LYS  17  18.952   3.267   5.104
  167    HG2  LYS  17           HG2      LYS  17  20.483   3.661   2.864
  168    HG3  LYS  17           HG1      LYS  17  19.151   4.823   2.530
  169    HD2  LYS  17           HD2      LYS  17  19.498   5.868   4.794
  170    HD3  LYS  17           HD1      LYS  17  20.854   4.729   5.098
  171    HE2  LYS  17           HE2      LYS  17  21.905   6.770   4.361
  172    HE3  LYS  17           HE1      LYS  17  21.922   5.700   2.897
  173    HZ1  LYS  17           HZ1      LYS  17  21.024   8.182   2.914
  174    HZ2  LYS  17           HZ2      LYS  17  19.571   7.376   3.263
  175    HZ3  LYS  17           HZ3      LYS  17  20.444   6.982   1.860
  Start of MODEL    2
    1    H1   GLU   1           HT1      GLU   1   6.144  -8.470  -9.310
    2    H2   GLU   1           HT2      GLU   1   5.851  -8.183  -7.660
    3    H3   GLU   1           HT3      GLU   1   6.188  -9.756  -8.203
    4    HA   GLU   1           HA       GLU   1   8.247  -9.362  -7.588
    5    HB2  GLU   1           HB2      GLU   1   8.030  -7.592 -10.086
    6    HB3  GLU   1           HB1      GLU   1   9.604  -7.971  -9.300
    7    HG2  GLU   1           HG2      GLU   1   9.300 -10.395  -9.725
    8    HG3  GLU   1           HG1      GLU   1   7.643 -10.103 -10.389
    9    H    MET   2           HN       MET   2   6.735  -6.169  -8.436
   10    HA   MET   2           HA       MET   2   7.697  -5.135  -5.912
   11    HB2  MET   2           HB2      MET   2   8.213  -2.816  -7.307
   12    HB3  MET   2           HB1      MET   2   9.540  -4.023  -6.916
   13    HG2  MET   2           HG2      MET   2   8.576  -5.117  -9.294
   14    HG3  MET   2           HG1      MET   2   8.286  -3.376  -9.561
   15    HE1  MET   2           HE1      MET   2  10.201  -5.295 -11.338
   16    HE2  MET   2           HE2      MET   2  11.380  -3.995 -11.730
   17    HE3  MET   2           HE3      MET   2   9.628  -3.611 -11.600
   18    H    ARG   3           HN       ARG   3   7.071  -3.303  -5.372
   19    HA   ARG   3           HA       ARG   3   4.696  -2.576  -6.660
   20    HB2  ARG   3           HB2      ARG   3   5.524  -2.630  -3.867
   21    HB3  ARG   3           HB1      ARG   3   4.699  -1.085  -4.395
   22    HG2  ARG   3           HG2      ARG   3   2.859  -2.504  -3.965
   23    HG3  ARG   3           HG1      ARG   3   3.161  -2.618  -5.754
   24    HD2  ARG   3           HD2      ARG   3   4.134  -4.776  -5.599
   25    HD3  ARG   3           HD1      ARG   3   4.351  -4.683  -3.792
   26    HE   ARG   3           HE       ARG   3   1.848  -5.334  -5.252
   27   HH11  ARG   3          HH11      ARG   3   3.380  -4.229  -2.226
   28   HH12  ARG   3          HH12      ARG   3   2.065  -4.710  -1.207
   29   HH21  ARG   3          HH21      ARG   3   0.064  -5.983  -3.864
   30   HH22  ARG   3          HH22      ARG   3   0.149  -5.724  -2.153
   31    H    ILE   4           HN       ILE   4   4.730  -1.145  -7.857
   32    HA   ILE   4           HA       ILE   4   6.917  -0.039  -8.790
   33    HB   ILE   4           HB       ILE   4   4.387   1.395  -8.911
   34   HG12  ILE   4          HG12      ILE   4   3.498  -0.808  -9.005
   35   HG13  ILE   4          HG11      ILE   4   3.785  -0.426 -10.748
   36   HG21  ILE   4          HG21      ILE   4   6.242   2.333 -10.151
   37   HG22  ILE   4          HG22      ILE   4   5.122   1.574 -11.352
   38   HG23  ILE   4          HG23      ILE   4   6.646   0.730 -10.879
   39   HD11  ILE   4          HD11      ILE   4   5.031  -2.369 -10.871
   40   HD12  ILE   4          HD12      ILE   4   4.942  -2.590  -9.072
   41   HD13  ILE   4          HD13      ILE   4   6.269  -1.594  -9.796
   42    H    SER   5           HN       SER   5   5.582   0.520  -5.998
   43    HA   SER   5           HA       SER   5   5.943   3.229  -5.851
   44    HB2  SER   5           HB2      SER   5   5.184   1.107  -3.902
   45    HB3  SER   5           HB1      SER   5   5.243   2.870  -3.445
   46    HG   SER   5           HG       SER   5   3.475   3.250  -4.584
   47    H    ARG   6           HN       ARG   6   7.141   0.309  -4.863
   48    HA   ARG   6           HA       ARG   6   8.790   1.278  -2.804
   49    HB2  ARG   6           HB2      ARG   6   9.124  -0.969  -2.448
   50    HB3  ARG   6           HB1      ARG   6   7.604  -1.025  -3.451
   51    HG2  ARG   6           HG2      ARG   6   8.999  -1.086  -5.467
   52    HG3  ARG   6           HG1      ARG   6  10.451  -1.384  -4.431
   53    HD2  ARG   6           HD2      ARG   6   7.867  -2.963  -4.101
   54    HD3  ARG   6           HD1      ARG   6   9.175  -3.489  -5.250
   55    HE   ARG   6           HE       ARG   6  10.295  -2.899  -2.642
   56   HH11  ARG   6          HH11      ARG   6   8.376  -5.304  -4.442
   57   HH12  ARG   6          HH12      ARG   6   8.867  -6.649  -3.470
   58   HH21  ARG   6          HH21      ARG   6  10.964  -4.736  -1.325
   59   HH22  ARG   6          HH22      ARG   6  10.357  -6.321  -1.670
   60    H    ILE   7           HN       ILE   7   8.633   1.204  -6.117
   61    HA   ILE   7           HA       ILE   7  11.385   1.008  -6.566
   62    HB   ILE   7           HB       ILE   7   8.982   1.492  -8.232
   63   HG12  ILE   7          HG12      ILE   7  10.864  -0.873  -8.160
   64   HG13  ILE   7          HG11      ILE   7   9.493  -0.666  -7.010
   65   HG21  ILE   7          HG21      ILE   7  10.610   1.053 -10.194
   66   HG22  ILE   7          HG22      ILE   7  11.953   1.319  -9.020
   67   HG23  ILE   7          HG23      ILE   7  10.787   2.651  -9.376
   68   HD11  ILE   7          HD11      ILE   7   8.494  -0.052  -9.644
   69   HD12  ILE   7          HD12      ILE   7   8.036  -1.409  -8.549
   70   HD13  ILE   7          HD13      ILE   7   9.378  -1.623  -9.751
   71    H    ILE   8           HN       ILE   8   8.925   3.237  -6.127
   72    HA   ILE   8           HA       ILE   8  10.421   5.405  -7.288
   73    HB   ILE   8           HB       ILE   8   8.350   5.535  -5.150
   74   HG12  ILE   8          HG12      ILE   8   7.370   4.026  -6.567
   75   HG13  ILE   8          HG11      ILE   8   6.629   5.590  -7.069
   76   HG21  ILE   8          HG21      ILE   8   9.813   7.524  -6.389
   77   HG22  ILE   8          HG22      ILE   8   8.137   7.794  -5.770
   78   HG23  ILE   8          HG23      ILE   8   8.409   7.451  -7.521
   79   HD11  ILE   8          HD11      ILE   8   8.475   5.628  -8.927
   80   HD12  ILE   8          HD12      ILE   8   7.157   4.388  -9.089
   81   HD13  ILE   8          HD13      ILE   8   8.782   3.905  -8.458
   82    H    LEU   9           HN       LEU   9   9.604   3.947  -4.422
   83    HA   LEU   9           HA       LEU   9  10.892   5.476  -2.629
   84    HB2  LEU   9           HB2      LEU   9   9.797   2.903  -3.075
   85    HB3  LEU   9           HB1      LEU   9  11.140   2.874  -1.882
   86    HG   LEU   9           HG       LEU   9   9.050   4.968  -1.439
   87   HD11  LEU   9          HD11      LEU   9   7.625   3.092  -2.229
   88   HD12  LEU   9          HD12      LEU   9   7.419   3.337  -0.455
   89   HD13  LEU   9          HD13      LEU   9   8.427   1.971  -1.073
   90   HD21  LEU   9          HD21      LEU   9   9.804   4.765   0.726
   91   HD22  LEU   9          HD22      LEU   9  11.192   3.903  -0.061
   92   HD23  LEU   9          HD23      LEU   9   9.825   2.959   0.660
   93    H    ASP  10           HN       ASP  10  11.899   3.078  -4.787
   94    HA   ASP  10           HA       ASP  10  14.308   2.802  -3.418
   95    HB2  ASP  10           HB2      ASP  10  12.969   2.119  -5.932
   96    HB3  ASP  10           HB1      ASP  10  14.747   2.229  -6.112
   97    H    PHE  11           HN       PHE  11  12.846   4.910  -5.765
   98    HA   PHE  11           HA       PHE  11  15.368   6.070  -6.498
   99    HB2  PHE  11           HB2      PHE  11  12.501   6.656  -7.183
  100    HB3  PHE  11           HB1      PHE  11  13.933   7.407  -8.044
  101    HD1  PHE  11           HD1      PHE  11  11.987   5.908  -9.587
  102    HD2  PHE  11           HD2      PHE  11  15.255   4.537  -7.312
  103    HE1  PHE  11           HE1      PHE  11  11.986   3.783 -10.727
  104    HE2  PHE  11           HE2      PHE  11  15.234   2.541  -8.270
  105    HZ   PHE  11           HZ       PHE  11  13.641   2.026 -10.154
  106    H    LEU  12           HN       LEU  12  13.303   6.166  -4.114
  107    HA   LEU  12           HA       LEU  12  13.397   8.931  -3.825
  108    HB2  LEU  12           HB2      LEU  12  12.260   6.599  -2.479
  109    HB3  LEU  12           HB1      LEU  12  12.226   8.210  -1.642
  110    HG   LEU  12           HG       LEU  12  11.252   7.600  -4.384
  111   HD11  LEU  12          HD11      LEU  12  10.107   6.958  -1.848
  112   HD12  LEU  12          HD12      LEU  12   9.446   6.656  -3.493
  113   HD13  LEU  12          HD13      LEU  12   9.052   8.201  -2.633
  114   HD21  LEU  12          HD21      LEU  12  11.440   9.828  -4.599
  115   HD22  LEU  12          HD22      LEU  12  11.575  10.075  -2.815
  116   HD23  LEU  12          HD23      LEU  12   9.945   9.909  -3.584
  117    H    PHE  13           HN       PHE  13  14.526   5.980  -2.509
  118    HA   PHE  13           HA       PHE  13  16.255   7.543  -0.718
  119    HB2  PHE  13           HB2      PHE  13  14.917   4.912  -0.139
  120    HB3  PHE  13           HB1      PHE  13  15.766   5.975   1.076
  121    HD1  PHE  13           HD1      PHE  13  13.020   5.037  -0.671
  122    HD2  PHE  13           HD2      PHE  13  14.559   8.214   1.563
  123    HE1  PHE  13           HE1      PHE  13  10.964   5.889  -0.646
  124    HE2  PHE  13           HE2      PHE  13  12.309   9.150   1.722
  125    HZ   PHE  13           HZ       PHE  13  10.411   7.985   0.633
  126    H    DLE  14           HN       DLE  14  15.639   4.752  -2.743
  127    HA   DLE  14           HA       DLE  14  18.280   3.975  -2.042
  128    HB2  DLE  14           HB2      DLE  14  17.712   4.694  -4.572
  129    HB3  DLE  14           HB1      DLE  14  19.049   3.593  -4.084
  130    HG   DLE  14           HG       DLE  14  16.343   2.404  -4.505
  131   HD11  DLE  14          HD11      DLE  14  18.097   3.216  -6.873
  132   HD12  DLE  14          HD12      DLE  14  16.718   4.216  -6.259
  133   HD13  DLE  14          HD13      DLE  14  16.428   2.544  -6.878
  134   HD21  DLE  14          HD21      DLE  14  17.522   0.504  -4.617
  135   HD22  DLE  14          HD22      DLE  14  18.955   1.461  -4.093
  136   HD23  DLE  14          HD23      DLE  14  18.660   1.170  -5.858
  137    H    ARG  15           HN       ARG  15  15.504   3.563  -1.155
  138    HA   ARG  15           HA       ARG  15  14.809   1.976   0.230
  139    HB2  ARG  15           HB2      ARG  15  15.014   0.586  -2.433
  140    HB3  ARG  15           HB1      ARG  15  14.304  -0.250  -0.999
  141    HG2  ARG  15           HG2      ARG  15  13.424   2.588  -1.598
  142    HG3  ARG  15           HG1      ARG  15  12.781   1.256  -2.645
  143    HD2  ARG  15           HD2      ARG  15  12.776   1.032   0.424
  144    HD3  ARG  15           HD1      ARG  15  11.424   1.855  -0.466
  145    HE   ARG  15           HE       ARG  15  11.840  -0.579  -1.809
  146   HH11  ARG  15          HH11      ARG  15  11.036   0.536   1.479
  147   HH12  ARG  15          HH12      ARG  15  10.091  -0.853   1.895
  148   HH21  ARG  15          HH21      ARG  15  10.545  -2.483  -1.236
  149   HH22  ARG  15          HH22      ARG  15   9.807  -2.596   0.325
  150    H    LYS  16           HN       LYS  16  17.373   2.576   0.056
  151    HA   LYS  16           HA       LYS  16  18.839   0.146   0.715
  152    HB2  LYS  16           HB2      LYS  16  20.873   1.328   0.031
  153    HB3  LYS  16           HB1      LYS  16  19.657   1.532  -1.287
  154    HG2  LYS  16           HG2      LYS  16  19.006   3.756  -0.292
  155    HG3  LYS  16           HG1      LYS  16  20.330   3.581   0.910
  156    HD2  LYS  16           HD2      LYS  16  21.994   3.987  -0.662
  157    HD3  LYS  16           HD1      LYS  16  21.075   3.226  -2.006
  158    HE2  LYS  16           HE2      LYS  16  19.649   5.223  -2.270
  159    HE3  LYS  16           HE1      LYS  16  20.330   5.966  -0.762
  160    HZ1  LYS  16           HZ1      LYS  16  21.215   6.473  -3.199
  161    HZ2  LYS  16           HZ2      LYS  16  22.252   5.185  -2.812
  162    HZ3  LYS  16           HZ3      LYS  16  22.194   6.558  -1.813
  163    H    LYS  17           HN       LYS  17  17.051   2.538   2.042
  164    HA   LYS  17           HA       LYS  17  18.860   2.653   4.306
  165    HB2  LYS  17           HB2      LYS  17  17.092   4.984   3.416
  166    HB3  LYS  17           HB1      LYS  17  18.319   4.994   4.736
  167    HG2  LYS  17           HG2      LYS  17  20.084   4.457   2.943
  168    HG3  LYS  17           HG1      LYS  17  18.809   4.756   1.714
  169    HD2  LYS  17           HD2      LYS  17  19.692   6.800   3.851
  170    HD3  LYS  17           HD1      LYS  17  20.316   6.752   2.167
  171    HE2  LYS  17           HE2      LYS  17  17.967   7.121   1.303
  172    HE3  LYS  17           HE1      LYS  17  17.376   7.227   3.014
  173    HZ1  LYS  17           HZ1      LYS  17  19.568   8.921   2.766
  174    HZ2  LYS  17           HZ2      LYS  17  17.932   9.325   2.978
  175    HZ3  LYS  17           HZ3      LYS  17  18.579   9.198   1.413
  Start of MODEL    3
    1    H1   GLU   1           HT1      GLU   1   7.088  -7.937  -5.588
    2    H2   GLU   1           HT2      GLU   1   7.005  -9.323  -4.609
    3    H3   GLU   1           HT3      GLU   1   8.043  -8.048  -4.187
    4    HA   GLU   1           HA       GLU   1   5.271  -8.414  -3.660
    5    HB2  GLU   1           HB2      GLU   1   7.483  -6.544  -2.644
    6    HB3  GLU   1           HB1      GLU   1   5.812  -6.524  -1.973
    7    HG2  GLU   1           HG2      GLU   1   6.021  -8.875  -1.219
    8    HG3  GLU   1           HG1      GLU   1   7.643  -9.019  -2.006
    9    H    MET   2           HN       MET   2   7.293  -5.732  -5.044
   10    HA   MET   2           HA       MET   2   4.822  -4.665  -6.192
   11    HB2  MET   2           HB2      MET   2   6.580  -3.190  -4.227
   12    HB3  MET   2           HB1      MET   2   6.141  -2.300  -5.742
   13    HG2  MET   2           HG2      MET   2   3.896  -2.209  -5.235
   14    HG3  MET   2           HG1      MET   2   3.904  -3.728  -4.276
   15    HE1  MET   2           HE1      MET   2   5.621  -2.991  -1.067
   16    HE2  MET   2           HE2      MET   2   5.257  -4.105  -2.431
   17    HE3  MET   2           HE3      MET   2   3.937  -3.562  -1.339
   18    H    ARG   3           HN       ARG   3   5.275  -2.894  -7.427
   19    HA   ARG   3           HA       ARG   3   7.365  -3.465  -9.252
   20    HB2  ARG   3           HB2      ARG   3   4.518  -2.714  -9.365
   21    HB3  ARG   3           HB1      ARG   3   5.520  -1.679 -10.415
   22    HG2  ARG   3           HG2      ARG   3   6.320  -3.416 -11.646
   23    HG3  ARG   3           HG1      ARG   3   5.864  -4.651 -10.404
   24    HD2  ARG   3           HD2      ARG   3   3.446  -4.267 -10.883
   25    HD3  ARG   3           HD1      ARG   3   3.881  -2.973 -12.078
   26    HE   ARG   3           HE       ARG   3   4.497  -4.659 -13.629
   27   HH11  ARG   3          HH11      ARG   3   4.049  -6.020 -10.362
   28   HH12  ARG   3          HH12      ARG   3   4.156  -7.671 -10.871
   29   HH21  ARG   3          HH21      ARG   3   4.638  -6.904 -14.314
   30   HH22  ARG   3          HH22      ARG   3   4.497  -8.182 -13.154
   31    H    ILE   4           HN       ILE   4   6.895  -1.006 -10.450
   32    HA   ILE   4           HA       ILE   4   8.743   0.553  -9.927
   33    HB   ILE   4           HB       ILE   4   6.914   2.435 -10.219
   34   HG12  ILE   4          HG12      ILE   4   4.904   1.553 -11.292
   35   HG13  ILE   4          HG11      ILE   4   5.540  -0.121 -11.238
   36   HG21  ILE   4          HG21      ILE   4   8.694   1.865 -11.852
   37   HG22  ILE   4          HG22      ILE   4   7.106   1.947 -12.706
   38   HG23  ILE   4          HG23      ILE   4   7.830   0.343 -12.299
   39   HD11  ILE   4          HD11      ILE   4   5.216  -0.301  -8.821
   40   HD12  ILE   4          HD12      ILE   4   3.738   0.539  -9.445
   41   HD13  ILE   4          HD13      ILE   4   5.052   1.495  -8.666
   42    H    SER   5           HN       SER   5   6.375  -0.024  -7.647
   43    HA   SER   5           HA       SER   5   6.219   2.311  -6.258
   44    HB2  SER   5           HB2      SER   5   6.213  -0.541  -5.392
   45    HB3  SER   5           HB1      SER   5   5.705   0.822  -4.312
   46    HG   SER   5           HG       SER   5   3.823   0.625  -5.176
   47    H    ARG   6           HN       ARG   6   8.205  -0.398  -6.382
   48    HA   ARG   6           HA       ARG   6   9.681   0.001  -4.042
   49    HB2  ARG   6           HB2      ARG   6  10.823  -1.941  -4.835
   50    HB3  ARG   6           HB1      ARG   6   9.099  -2.113  -5.385
   51    HG2  ARG   6           HG2      ARG   6   9.828  -0.817  -7.470
   52    HG3  ARG   6           HG1      ARG   6  11.519  -1.291  -6.995
   53    HD2  ARG   6           HD2      ARG   6   9.164  -3.220  -7.252
   54    HD3  ARG   6           HD1      ARG   6  10.401  -2.925  -8.561
   55    HE   ARG   6           HE       ARG   6  11.719  -3.539  -6.050
   56   HH11  ARG   6          HH11      ARG   6   9.785  -5.005  -8.660
   57   HH12  ARG   6          HH12      ARG   6  10.478  -6.583  -8.498
   58   HH21  ARG   6          HH21      ARG   6  12.659  -5.692  -5.828
   59   HH22  ARG   6          HH22      ARG   6  12.138  -6.981  -6.859
   60    H    ILE   7           HN       ILE   7   9.463   1.190  -7.205
   61    HA   ILE   7           HA       ILE   7  12.187   1.892  -7.262
   62    HB   ILE   7           HB       ILE   7   9.966   2.033  -9.215
   63   HG12  ILE   7          HG12      ILE   7  12.601   0.580  -9.489
   64   HG13  ILE   7          HG11      ILE   7  11.441   0.022  -8.239
   65   HG21  ILE   7          HG21      ILE   7  11.327   4.033  -9.610
   66   HG22  ILE   7          HG22      ILE   7  11.778   2.802 -10.854
   67   HG23  ILE   7          HG23      ILE   7  12.854   3.088  -9.432
   68   HD11  ILE   7          HD11      ILE   7   9.928  -0.780  -9.752
   69   HD12  ILE   7          HD12      ILE   7  11.401  -0.910 -10.807
   70   HD13  ILE   7          HD13      ILE   7  10.284   0.504 -10.976
   71    H    ILE   8           HN       ILE   8   9.195   3.071  -6.513
   72    HA   ILE   8           HA       ILE   8  10.003   5.825  -6.792
   73    HB   ILE   8           HB       ILE   8   7.986   4.717  -4.900
   74   HG12  ILE   8          HG12      ILE   8   7.371   3.597  -6.785
   75   HG13  ILE   8          HG11      ILE   8   6.295   5.035  -6.840
   76   HG21  ILE   8          HG21      ILE   8   7.227   6.922  -4.721
   77   HG22  ILE   8          HG22      ILE   8   7.459   7.258  -6.478
   78   HG23  ILE   8          HG23      ILE   8   8.870   7.317  -5.354
   79   HD11  ILE   8          HD11      ILE   8   8.855   4.499  -8.467
   80   HD12  ILE   8          HD12      ILE   8   8.003   6.097  -8.451
   81   HD13  ILE   8          HD13      ILE   8   7.164   4.624  -9.087
   82    H    LEU   9           HN       LEU   9   9.669   3.338  -4.652
   83    HA   LEU   9           HA       LEU   9  10.448   4.448  -2.327
   84    HB2  LEU   9           HB2      LEU   9  10.186   1.986  -3.736
   85    HB3  LEU   9           HB1      LEU   9  11.414   1.920  -2.429
   86    HG   LEU   9           HG       LEU   9   8.615   2.960  -1.869
   87   HD11  LEU   9          HD11      LEU   9   9.496   0.024  -2.144
   88   HD12  LEU   9          HD12      LEU   9   8.114   0.847  -2.952
   89   HD13  LEU   9          HD13      LEU   9   8.055   0.525  -1.178
   90   HD21  LEU   9          HD21      LEU   9  11.005   2.627  -0.423
   91   HD22  LEU   9          HD22      LEU   9   9.990   1.221   0.098
   92   HD23  LEU   9          HD23      LEU   9   9.359   2.904   0.279
   93    H    ASP  10           HN       ASP  10  12.122   3.332  -5.053
   94    HA   ASP  10           HA       ASP  10  14.494   3.408  -3.563
   95    HB2  ASP  10           HB2      ASP  10  13.492   3.093  -6.281
   96    HB3  ASP  10           HB1      ASP  10  15.145   3.800  -6.222
   97    H    PHE  11           HN       PHE  11  12.413   5.576  -5.288
   98    HA   PHE  11           HA       PHE  11  14.462   7.579  -5.415
   99    HB2  PHE  11           HB2      PHE  11  11.532   7.524  -6.079
  100    HB3  PHE  11           HB1      PHE  11  12.655   8.901  -6.524
  101    HD1  PHE  11           HD1      PHE  11  11.245   7.540  -8.647
  102    HD2  PHE  11           HD2      PHE  11  14.803   6.421  -6.652
  103    HE1  PHE  11           HE1      PHE  11  11.860   6.027 -10.422
  104    HE2  PHE  11           HE2      PHE  11  15.344   4.961  -8.221
  105    HZ   PHE  11           HZ       PHE  11  13.960   4.714 -10.309
  106    H    LEU  12           HN       LEU  12  12.578   6.249  -3.285
  107    HA   LEU  12           HA       LEU  12  11.938   8.648  -2.016
  108    HB2  LEU  12           HB2      LEU  12  11.485   5.776  -1.648
  109    HB3  LEU  12           HB1      LEU  12  11.054   6.942  -0.327
  110    HG   LEU  12           HG       LEU  12  10.216   7.104  -3.171
  111   HD11  LEU  12          HD11      LEU  12   7.991   6.420  -1.470
  112   HD12  LEU  12          HD12      LEU  12   9.376   5.300  -1.130
  113   HD13  LEU  12          HD13      LEU  12   8.751   5.467  -2.809
  114   HD21  LEU  12          HD21      LEU  12   9.940   8.848  -0.827
  115   HD22  LEU  12          HD22      LEU  12   8.356   8.521  -1.643
  116   HD23  LEU  12          HD23      LEU  12   9.741   9.214  -2.582
  117    H    PHE  13           HN       PHE  13  13.874   5.789  -1.833
  118    HA   PHE  13           HA       PHE  13  15.313   7.041   0.411
  119    HB2  PHE  13           HB2      PHE  13  14.592   4.126   0.151
  120    HB3  PHE  13           HB1      PHE  13  15.323   4.924   1.620
  121    HD1  PHE  13           HD1      PHE  13  12.700   4.140  -0.396
  122    HD2  PHE  13           HD2      PHE  13  13.721   6.427   2.939
  123    HE1  PHE  13           HE1      PHE  13  10.550   4.434  -0.080
  124    HE2  PHE  13           HE2      PHE  13  11.341   6.723   3.416
  125    HZ   PHE  13           HZ       PHE  13   9.649   5.694   1.916
  126    H    DLE  14           HN       DLE  14  15.171   4.911  -2.419
  127    HA   DLE  14           HA       DLE  14  18.029   4.674  -2.114
  128    HB2  DLE  14           HB2      DLE  14  18.236   3.921  -4.430
  129    HB3  DLE  14           HB1      DLE  14  16.469   4.265  -4.633
  130    HG   DLE  14           HG       DLE  14  16.984   6.497  -3.650
  131   HD11  DLE  14          HD11      DLE  14  19.792   6.285  -4.680
  132   HD12  DLE  14          HD12      DLE  14  19.396   5.349  -3.169
  133   HD13  DLE  14          HD13      DLE  14  19.124   7.142  -3.232
  134   HD21  DLE  14          HD21      DLE  14  17.002   5.477  -6.304
  135   HD22  DLE  14          HD22      DLE  14  18.251   6.788  -6.243
  136   HD23  DLE  14          HD23      DLE  14  16.540   7.123  -5.736
  137    H    ARG  15           HN       ARG  15  15.646   3.390  -1.098
  138    HA   ARG  15           HA       ARG  15  15.475   1.451  -0.247
  139    HB2  ARG  15           HB2      ARG  15  15.619   0.817  -3.196
  140    HB3  ARG  15           HB1      ARG  15  15.056  -0.400  -1.973
  141    HG2  ARG  15           HG2      ARG  15  13.933   2.452  -2.034
  142    HG3  ARG  15           HG1      ARG  15  13.248   1.160  -3.100
  143    HD2  ARG  15           HD2      ARG  15  11.945   0.690  -1.205
  144    HD3  ARG  15           HD1      ARG  15  13.439  -0.180  -0.662
  145    HE   ARG  15           HE       ARG  15  13.491   2.652   0.052
  146   HH11  ARG  15          HH11      ARG  15  12.259  -0.585   0.884
  147   HH12  ARG  15          HH12      ARG  15  12.116  -0.266   2.580
  148   HH21  ARG  15          HH21      ARG  15  13.296   3.088   2.365
  149   HH22  ARG  15          HH22      ARG  15  12.716   1.856   3.435
  150    H    LYS  16           HN       LYS  16  17.776   2.585  -0.367
  151    HA   LYS  16           HA       LYS  16  19.831   0.566  -0.642
  152    HB2  LYS  16           HB2      LYS  16  21.407   2.524  -0.498
  153    HB3  LYS  16           HB1      LYS  16  20.257   2.652  -1.888
  154    HG2  LYS  16           HG2      LYS  16  18.803   4.132  -0.624
  155    HG3  LYS  16           HG1      LYS  16  19.810   3.973   0.846
  156    HD2  LYS  16           HD2      LYS  16  21.628   5.203  -0.142
  157    HD3  LYS  16           HD1      LYS  16  20.952   5.037  -1.800
  158    HE2  LYS  16           HE2      LYS  16  19.054   6.543  -1.234
  159    HE3  LYS  16           HE1      LYS  16  19.619   6.645   0.488
  160    HZ1  LYS  16           HZ1      LYS  16  21.486   7.837  -0.141
  161    HZ2  LYS  16           HZ2      LYS  16  20.257   8.482  -1.118
  162    HZ3  LYS  16           HZ3      LYS  16  21.381   7.392  -1.776
  163    H    LYS  17           HN       LYS  17  17.826   2.380   1.453
  164    HA   LYS  17           HA       LYS  17  19.289   1.316   3.682
  165    HB2  LYS  17           HB2      LYS  17  18.393   4.238   3.471
  166    HB3  LYS  17           HB1      LYS  17  19.034   3.467   4.968
  167    HG2  LYS  17           HG2      LYS  17  20.673   3.416   2.384
  168    HG3  LYS  17           HG1      LYS  17  20.648   4.894   3.414
  169    HD2  LYS  17           HD2      LYS  17  21.353   2.083   4.464
  170    HD3  LYS  17           HD1      LYS  17  22.572   3.247   3.840
  171    HE2  LYS  17           HE2      LYS  17  21.841   4.916   5.610
  172    HE3  LYS  17           HE1      LYS  17  20.699   3.670   6.268
  173    HZ1  LYS  17           HZ1      LYS  17  22.382   2.934   7.431
  174    HZ2  LYS  17           HZ2      LYS  17  23.491   3.956   6.649
  175    HZ3  LYS  17           HZ3      LYS  17  23.144   2.424   6.003
  Start of MODEL    4
    1    H1   GLU   1           HT1      GLU   1   9.100  -8.934  -9.752
    2    H2   GLU   1           HT2      GLU   1   8.569  -7.322  -9.683
    3    H3   GLU   1           HT3      GLU   1   7.493  -8.552 -10.146
    4    HA   GLU   1           HA       GLU   1   6.854  -8.762  -8.089
    5    HB2  GLU   1           HB2      GLU   1   9.820  -9.430  -7.666
    6    HB3  GLU   1           HB1      GLU   1   8.585  -9.630  -6.372
    7    HG2  GLU   1           HG2      GLU   1   7.341 -11.289  -7.731
    8    HG3  GLU   1           HG1      GLU   1   8.457 -11.027  -9.130
    9    H    MET   2           HN       MET   2   6.645  -6.226  -8.358
   10    HA   MET   2           HA       MET   2   7.629  -5.121  -5.893
   11    HB2  MET   2           HB2      MET   2   8.164  -2.822  -7.284
   12    HB3  MET   2           HB1      MET   2   9.489  -4.043  -6.928
   13    HG2  MET   2           HG2      MET   2   8.441  -5.091  -9.306
   14    HG3  MET   2           HG1      MET   2   8.221  -3.335  -9.541
   15    HE1  MET   2           HE1      MET   2   9.909  -5.140 -11.440
   16    HE2  MET   2           HE2      MET   2  11.268  -4.009 -11.760
   17    HE3  MET   2           HE3      MET   2   9.594  -3.376 -11.589
   18    H    ARG   3           HN       ARG   3   6.960  -3.326  -5.360
   19    HA   ARG   3           HA       ARG   3   4.632  -2.578  -6.722
   20    HB2  ARG   3           HB2      ARG   3   5.360  -2.660  -3.901
   21    HB3  ARG   3           HB1      ARG   3   4.557  -1.109  -4.445
   22    HG2  ARG   3           HG2      ARG   3   2.705  -2.537  -4.085
   23    HG3  ARG   3           HG1      ARG   3   3.061  -2.618  -5.866
   24    HD2  ARG   3           HD2      ARG   3   3.970  -4.790  -5.743
   25    HD3  ARG   3           HD1      ARG   3   4.227  -4.716  -3.938
   26    HE   ARG   3           HE       ARG   3   1.420  -4.408  -4.442
   27   HH11  ARG   3          HH11      ARG   3   4.043  -6.787  -4.813
   28   HH12  ARG   3          HH12      ARG   3   3.020  -8.173  -4.634
   29   HH21  ARG   3          HH21      ARG   3   0.027  -6.292  -4.199
   30   HH22  ARG   3          HH22      ARG   3   0.698  -7.886  -4.280
   31    H    ILE   4           HN       ILE   4   4.736  -1.158  -7.925
   32    HA   ILE   4           HA       ILE   4   6.940  -0.063  -8.783
   33    HB   ILE   4           HB       ILE   4   4.435   1.407  -8.958
   34   HG12  ILE   4          HG12      ILE   4   3.526  -0.789  -9.079
   35   HG13  ILE   4          HG11      ILE   4   3.849  -0.395 -10.814
   36   HG21  ILE   4          HG21      ILE   4   6.731   0.722 -10.874
   37   HG22  ILE   4          HG22      ILE   4   6.327   2.328 -10.150
   38   HG23  ILE   4          HG23      ILE   4   5.227   1.585 -11.379
   39   HD11  ILE   4          HD11      ILE   4   6.301  -1.599  -9.813
   40   HD12  ILE   4          HD12      ILE   4   5.088  -2.341 -10.936
   41   HD13  ILE   4          HD13      ILE   4   4.941  -2.593  -9.144
   42    H    SER   5           HN       SER   5   5.577   0.528  -6.011
   43    HA   SER   5           HA       SER   5   5.957   3.233  -5.872
   44    HB2  SER   5           HB2      SER   5   5.184   1.111  -3.931
   45    HB3  SER   5           HB1      SER   5   5.258   2.870  -3.461
   46    HG   SER   5           HG       SER   5   3.512   3.283  -4.645
   47    H    ARG   6           HN       ARG   6   7.145   0.315  -4.888
   48    HA   ARG   6           HA       ARG   6   8.796   1.239  -2.816
   49    HB2  ARG   6           HB2      ARG   6   9.109  -1.008  -2.508
   50    HB3  ARG   6           HB1      ARG   6   7.585  -1.029  -3.508
   51    HG2  ARG   6           HG2      ARG   6   8.956  -1.090  -5.527
   52    HG3  ARG   6           HG1      ARG   6  10.425  -1.391  -4.512
   53    HD2  ARG   6           HD2      ARG   6   7.820  -2.959  -4.272
   54    HD3  ARG   6           HD1      ARG   6   9.245  -3.524  -5.248
   55    HE   ARG   6           HE       ARG   6   9.086  -3.339  -2.277
   56   HH11  ARG   6          HH11      ARG   6  11.035  -3.849  -5.223
   57   HH12  ARG   6          HH12      ARG   6  12.346  -4.631  -4.408
   58   HH21  ARG   6          HH21      ARG   6  10.879  -4.419  -1.172
   59   HH22  ARG   6          HH22      ARG   6  12.256  -4.958  -2.072
   60    H    ILE   7           HN       ILE   7   8.647   1.210  -6.137
   61    HA   ILE   7           HA       ILE   7  11.403   1.011  -6.576
   62    HB   ILE   7           HB       ILE   7   9.008   1.493  -8.253
   63   HG12  ILE   7          HG12      ILE   7  10.903  -0.861  -8.191
   64   HG13  ILE   7          HG11      ILE   7   9.542  -0.666  -7.028
   65   HG21  ILE   7          HG21      ILE   7  10.815   2.667  -9.381
   66   HG22  ILE   7          HG22      ILE   7  10.643   1.072 -10.209
   67   HG23  ILE   7          HG23      ILE   7  11.983   1.336  -9.030
   68   HD11  ILE   7          HD11      ILE   7   9.407  -1.620  -9.768
   69   HD12  ILE   7          HD12      ILE   7   8.514  -0.051  -9.652
   70   HD13  ILE   7          HD13      ILE   7   8.076  -1.414  -8.556
   71    H    ILE   8           HN       ILE   8   8.942   3.235  -6.136
   72    HA   ILE   8           HA       ILE   8  10.440   5.408  -7.286
   73    HB   ILE   8           HB       ILE   8   8.359   5.533  -5.157
   74   HG12  ILE   8          HG12      ILE   8   7.388   4.022  -6.579
   75   HG13  ILE   8          HG11      ILE   8   6.644   5.584  -7.081
   76   HG21  ILE   8          HG21      ILE   8   9.826   7.520  -6.412
   77   HG22  ILE   8          HG22      ILE   8   8.162   7.793  -5.765
   78   HG23  ILE   8          HG23      ILE   8   8.403   7.452  -7.522
   79   HD11  ILE   8          HD11      ILE   8   8.805   3.907  -8.467
   80   HD12  ILE   8          HD12      ILE   8   8.489   5.629  -8.936
   81   HD13  ILE   8          HD13      ILE   8   7.180   4.382  -9.100
   82    H    LEU   9           HN       LEU   9   9.612   3.938  -4.429
   83    HA   LEU   9           HA       LEU   9  10.890   5.462  -2.623
   84    HB2  LEU   9           HB2      LEU   9   9.806   2.885  -3.090
   85    HB3  LEU   9           HB1      LEU   9  11.141   2.857  -1.886
   86    HG   LEU   9           HG       LEU   9   9.023   4.931  -1.460
   87   HD11  LEU   9          HD11      LEU   9   7.422   3.274  -0.465
   88   HD12  LEU   9          HD12      LEU   9   8.459   1.923  -1.070
   89   HD13  LEU   9          HD13      LEU   9   7.636   3.020  -2.236
   90   HD21  LEU   9          HD21      LEU   9  11.182   3.906  -0.068
   91   HD22  LEU   9          HD22      LEU   9   9.820   2.957   0.662
   92   HD23  LEU   9          HD23      LEU   9   9.785   4.764   0.705
   93    H    ASP  10           HN       ASP  10  11.909   3.075  -4.788
   94    HA   ASP  10           HA       ASP  10  14.317   2.803  -3.415
   95    HB2  ASP  10           HB2      ASP  10  12.987   2.124  -5.934
   96    HB3  ASP  10           HB1      ASP  10  14.764   2.240  -6.108
   97    H    PHE  11           HN       PHE  11  12.854   4.913  -5.758
   98    HA   PHE  11           HA       PHE  11  15.376   6.084  -6.481
   99    HB2  PHE  11           HB2      PHE  11  12.507   6.664  -7.170
  100    HB3  PHE  11           HB1      PHE  11  13.939   7.423  -8.024
  101    HD1  PHE  11           HD1      PHE  11  12.005   5.926  -9.581
  102    HD2  PHE  11           HD2      PHE  11  15.267   4.551  -7.301
  103    HE1  PHE  11           HE1      PHE  11  12.013   3.807 -10.731
  104    HE2  PHE  11           HE2      PHE  11  15.253   2.560  -8.268
  105    HZ   PHE  11           HZ       PHE  11  13.669   2.051 -10.159
  106    H    LEU  12           HN       LEU  12  13.303   6.165  -4.102
  107    HA   LEU  12           HA       LEU  12  13.391   8.928  -3.803
  108    HB2  LEU  12           HB2      LEU  12  12.254   6.590  -2.470
  109    HB3  LEU  12           HB1      LEU  12  12.215   8.197  -1.627
  110    HG   LEU  12           HG       LEU  12  11.253   7.600  -4.375
  111   HD11  LEU  12          HD11      LEU  12   9.042   8.182  -2.634
  112   HD12  LEU  12          HD12      LEU  12  10.100   6.942  -1.846
  113   HD13  LEU  12          HD13      LEU  12   9.447   6.642  -3.494
  114   HD21  LEU  12          HD21      LEU  12  11.422   9.829  -4.580
  115   HD22  LEU  12          HD22      LEU  12  11.574  10.064  -2.796
  116   HD23  LEU  12          HD23      LEU  12   9.937   9.901  -3.553
  117    H    PHE  13           HN       PHE  13  14.526   5.976  -2.494
  118    HA   PHE  13           HA       PHE  13  16.246   7.539  -0.694
  119    HB2  PHE  13           HB2      PHE  13  14.912   4.903  -0.128
  120    HB3  PHE  13           HB1      PHE  13  15.759   5.961   1.093
  121    HD1  PHE  13           HD1      PHE  13  13.018   5.034  -0.666
  122    HD2  PHE  13           HD2      PHE  13  14.548   8.194   1.596
  123    HE1  PHE  13           HE1      PHE  13  10.962   5.883  -0.641
  124    HE2  PHE  13           HE2      PHE  13  12.298   9.127   1.756
  125    HZ   PHE  13           HZ       PHE  13  10.403   7.969   0.652
  126    H    DLE  14           HN       DLE  14  15.643   4.757  -2.733
  127    HA   DLE  14           HA       DLE  14  18.285   3.984  -2.031
  128    HB2  DLE  14           HB2      DLE  14  17.718   4.709  -4.559
  129    HB3  DLE  14           HB1      DLE  14  19.059   3.613  -4.073
  130    HG   DLE  14           HG       DLE  14  16.357   2.415  -4.500
  131   HD11  DLE  14          HD11      DLE  14  18.113   3.241  -6.862
  132   HD12  DLE  14          HD12      DLE  14  16.728   4.232  -6.247
  133   HD13  DLE  14          HD13      DLE  14  16.446   2.562  -6.874
  134   HD21  DLE  14          HD21      DLE  14  18.682   1.195  -5.853
  135   HD22  DLE  14          HD22      DLE  14  17.543   0.519  -4.616
  136   HD23  DLE  14          HD23      DLE  14  18.972   1.478  -4.087
  137    H    ARG  15           HN       ARG  15  15.510   3.561  -1.149
  138    HA   ARG  15           HA       ARG  15  14.823   1.968   0.234
  139    HB2  ARG  15           HB2      ARG  15  15.028   0.583  -2.431
  140    HB3  ARG  15           HB1      ARG  15  14.314  -0.253  -0.999
  141    HG2  ARG  15           HG2      ARG  15  13.443   2.589  -1.598
  142    HG3  ARG  15           HG1      ARG  15  12.794   1.257  -2.642
  143    HD2  ARG  15           HD2      ARG  15  12.799   0.988   0.416
  144    HD3  ARG  15           HD1      ARG  15  11.472   1.891  -0.430
  145    HE   ARG  15           HE       ARG  15  11.768  -0.517  -1.849
  146   HH11  ARG  15          HH11      ARG  15  11.068   0.530   1.487
  147   HH12  ARG  15          HH12      ARG  15  10.060  -0.825   1.873
  148   HH21  ARG  15          HH21      ARG  15  10.388  -2.370  -1.320
  149   HH22  ARG  15          HH22      ARG  15   9.668  -2.500   0.252
  150    H    LYS  16           HN       LYS  16  17.384   2.575   0.055
  151    HA   LYS  16           HA       LYS  16  18.859   0.153   0.728
  152    HB2  LYS  16           HB2      LYS  16  20.887   1.337   0.031
  153    HB3  LYS  16           HB1      LYS  16  19.668   1.536  -1.286
  154    HG2  LYS  16           HG2      LYS  16  19.012   3.760  -0.289
  155    HG3  LYS  16           HG1      LYS  16  20.346   3.595   0.903
  156    HD2  LYS  16           HD2      LYS  16  21.999   3.991  -0.687
  157    HD3  LYS  16           HD1      LYS  16  21.060   3.243  -2.024
  158    HE2  LYS  16           HE2      LYS  16  19.639   5.246  -2.259
  159    HE3  LYS  16           HE1      LYS  16  20.341   5.977  -0.755
  160    HZ1  LYS  16           HZ1      LYS  16  21.199   6.533  -3.171
  161    HZ2  LYS  16           HZ2      LYS  16  22.207   5.200  -2.871
  162    HZ3  LYS  16           HZ3      LYS  16  22.223   6.531  -1.817
  163    H    LYS  17           HN       LYS  17  17.039   2.495   2.049
  164    HA   LYS  17           HA       LYS  17  18.890   2.757   4.275
  165    HB2  LYS  17           HB2      LYS  17  16.918   4.921   3.391
  166    HB3  LYS  17           HB1      LYS  17  18.185   5.059   4.663
  167    HG2  LYS  17           HG2      LYS  17  19.959   4.773   2.929
  168    HG3  LYS  17           HG1      LYS  17  18.695   4.624   1.661
  169    HD2  LYS  17           HD2      LYS  17  19.495   6.895   1.565
  170    HD3  LYS  17           HD1      LYS  17  17.871   6.959   2.333
  171    HE2  LYS  17           HE2      LYS  17  18.908   7.174   4.590
  172    HE3  LYS  17           HE1      LYS  17  20.562   7.009   3.864
  173    HZ1  LYS  17           HZ1      LYS  17  19.193   9.008   2.480
  174    HZ2  LYS  17           HZ2      LYS  17  20.534   9.151   3.512
  175    HZ3  LYS  17           HZ3      LYS  17  18.960   9.293   4.137
  Start of MODEL    5
    1    H1   GLU   1           HT1      GLU   1   6.451  -7.230  -1.594
    2    H2   GLU   1           HT2      GLU   1   7.055  -6.066  -2.673
    3    H3   GLU   1           HT3      GLU   1   7.741  -7.620  -2.628
    4    HA   GLU   1           HA       GLU   1   6.422  -8.172  -4.262
    5    HB2  GLU   1           HB2      GLU   1   4.322  -7.700  -2.073
    6    HB3  GLU   1           HB1      GLU   1   3.922  -8.467  -3.651
    7    HG2  GLU   1           HG2      GLU   1   5.468 -10.348  -3.202
    8    HG3  GLU   1           HG1      GLU   1   6.045  -9.557  -1.682
    9    H    MET   2           HN       MET   2   7.122  -5.940  -5.231
   10    HA   MET   2           HA       MET   2   4.721  -4.759  -6.275
   11    HB2  MET   2           HB2      MET   2   5.379  -2.382  -5.837
   12    HB3  MET   2           HB1      MET   2   4.911  -3.245  -4.311
   13    HG2  MET   2           HG2      MET   2   7.807  -3.411  -5.060
   14    HG3  MET   2           HG1      MET   2   7.213  -1.767  -4.710
   15    HE1  MET   2           HE1      MET   2   6.333  -0.881  -2.769
   16    HE2  MET   2           HE2      MET   2   6.181  -1.609  -1.134
   17    HE3  MET   2           HE3      MET   2   5.009  -2.047  -2.424
   18    H    ARG   3           HN       ARG   3   5.237  -2.955  -7.478
   19    HA   ARG   3           HA       ARG   3   7.378  -3.528  -9.237
   20    HB2  ARG   3           HB2      ARG   3   4.540  -2.776  -9.425
   21    HB3  ARG   3           HB1      ARG   3   5.565  -1.735 -10.443
   22    HG2  ARG   3           HG2      ARG   3   6.439  -3.488 -11.630
   23    HG3  ARG   3           HG1      ARG   3   5.860  -4.718 -10.433
   24    HD2  ARG   3           HD2      ARG   3   3.469  -4.095 -11.039
   25    HD3  ARG   3           HD1      ARG   3   4.132  -3.003 -12.333
   26    HE   ARG   3           HE       ARG   3   5.318  -5.563 -12.729
   27   HH11  ARG   3          HH11      ARG   3   2.096  -4.044 -12.697
   28   HH12  ARG   3          HH12      ARG   3   1.401  -5.132 -13.852
   29   HH21  ARG   3          HH21      ARG   3   4.374  -7.044 -14.300
   30   HH22  ARG   3          HH22      ARG   3   2.719  -6.867 -14.778
   31    H    ILE   4           HN       ILE   4   6.915  -1.075 -10.443
   32    HA   ILE   4           HA       ILE   4   8.756   0.494  -9.953
   33    HB   ILE   4           HB       ILE   4   6.932   2.369 -10.249
   34   HG12  ILE   4          HG12      ILE   4   4.875   1.506 -11.211
   35   HG13  ILE   4          HG11      ILE   4   5.496  -0.173 -11.217
   36   HG21  ILE   4          HG21      ILE   4   7.786   0.219 -12.294
   37   HG22  ILE   4          HG22      ILE   4   8.653   1.760 -11.919
   38   HG23  ILE   4          HG23      ILE   4   7.042   1.805 -12.731
   39   HD11  ILE   4          HD11      ILE   4   5.043   1.429  -8.613
   40   HD12  ILE   4          HD12      ILE   4   5.309  -0.356  -8.744
   41   HD13  ILE   4          HD13      ILE   4   3.773   0.387  -9.352
   42    H    SER   5           HN       SER   5   6.430  -0.076  -7.657
   43    HA   SER   5           HA       SER   5   6.264   2.259  -6.282
   44    HB2  SER   5           HB2      SER   5   6.204  -0.603  -5.515
   45    HB3  SER   5           HB1      SER   5   5.789   0.709  -4.337
   46    HG   SER   5           HG       SER   5   3.944   1.015  -5.335
   47    H    ARG   6           HN       ARG   6   8.275  -0.434  -6.426
   48    HA   ARG   6           HA       ARG   6   9.779  -0.031  -4.103
   49    HB2  ARG   6           HB2      ARG   6  10.957  -1.938  -4.942
   50    HB3  ARG   6           HB1      ARG   6   9.226  -2.141  -5.437
   51    HG2  ARG   6           HG2      ARG   6   9.864  -0.827  -7.543
   52    HG3  ARG   6           HG1      ARG   6  11.574  -1.288  -7.121
   53    HD2  ARG   6           HD2      ARG   6   9.221  -3.233  -7.325
   54    HD3  ARG   6           HD1      ARG   6  10.439  -2.937  -8.651
   55    HE   ARG   6           HE       ARG   6  11.808  -3.539  -6.172
   56   HH11  ARG   6          HH11      ARG   6   9.785  -5.026  -8.700
   57   HH12  ARG   6          HH12      ARG   6  10.462  -6.610  -8.530
   58   HH21  ARG   6          HH21      ARG   6  12.728  -5.698  -5.938
   59   HH22  ARG   6          HH22      ARG   6  12.164  -6.999  -6.931
   60    H    ILE   7           HN       ILE   7   9.504   1.176  -7.255
   61    HA   ILE   7           HA       ILE   7  12.216   1.916  -7.341
   62    HB   ILE   7           HB       ILE   7   9.971   2.041  -9.268
   63   HG12  ILE   7          HG12      ILE   7  12.626   0.631  -9.574
   64   HG13  ILE   7          HG11      ILE   7  11.480   0.045  -8.323
   65   HG21  ILE   7          HG21      ILE   7  11.302   4.067  -9.658
   66   HG22  ILE   7          HG22      ILE   7  11.752   2.855 -10.920
   67   HG23  ILE   7          HG23      ILE   7  12.843   3.138  -9.509
   68   HD11  ILE   7          HD11      ILE   7   9.990  -0.787  -9.832
   69   HD12  ILE   7          HD12      ILE   7  11.446  -0.842 -10.918
   70   HD13  ILE   7          HD13      ILE   7  10.279   0.537 -11.031
   71    H    ILE   8           HN       ILE   8   9.226   3.040  -6.524
   72    HA   ILE   8           HA       ILE   8  10.013   5.803  -6.787
   73    HB   ILE   8           HB       ILE   8   8.001   4.674  -4.901
   74   HG12  ILE   8          HG12      ILE   8   7.402   3.554  -6.794
   75   HG13  ILE   8          HG11      ILE   8   6.308   4.979  -6.835
   76   HG21  ILE   8          HG21      ILE   8   7.493   7.222  -6.483
   77   HG22  ILE   8          HG22      ILE   8   8.874   7.272  -5.320
   78   HG23  ILE   8          HG23      ILE   8   7.213   6.874  -4.734
   79   HD11  ILE   8          HD11      ILE   8   8.861   4.472  -8.477
   80   HD12  ILE   8          HD12      ILE   8   8.014   6.072  -8.437
   81   HD13  ILE   8          HD13      ILE   8   7.168   4.610  -9.086
   82    H    LEU   9           HN       LEU   9   9.695   3.286  -4.661
   83    HA   LEU   9           HA       LEU   9  10.483   4.384  -2.335
   84    HB2  LEU   9           HB2      LEU   9  10.248   1.929  -3.753
   85    HB3  LEU   9           HB1      LEU   9  11.510   1.876  -2.474
   86    HG   LEU   9           HG       LEU   9   8.760   2.899  -1.747
   87   HD11  LEU   9          HD11      LEU   9   8.037   0.491  -1.287
   88   HD12  LEU   9          HD12      LEU   9   9.465  -0.061  -2.244
   89   HD13  LEU   9          HD13      LEU   9   8.166   0.897  -3.037
   90   HD21  LEU   9          HD21      LEU   9  11.159   2.388  -0.433
   91   HD22  LEU   9          HD22      LEU   9  10.197   0.900  -0.058
   92   HD23  LEU   9          HD23      LEU   9   9.542   2.529   0.369
   93    H    ASP  10           HN       ASP  10  12.150   3.287  -5.065
   94    HA   ASP  10           HA       ASP  10  14.559   3.329  -3.658
   95    HB2  ASP  10           HB2      ASP  10  13.447   3.201  -6.365
   96    HB3  ASP  10           HB1      ASP  10  15.110   3.861  -6.320
   97    H    PHE  11           HN       PHE  11  12.457   5.561  -5.277
   98    HA   PHE  11           HA       PHE  11  14.487   7.587  -5.368
   99    HB2  PHE  11           HB2      PHE  11  11.558   7.500  -6.054
  100    HB3  PHE  11           HB1      PHE  11  12.663   8.893  -6.484
  101    HD1  PHE  11           HD1      PHE  11  11.254   7.561  -8.621
  102    HD2  PHE  11           HD2      PHE  11  14.803   6.441  -6.652
  103    HE1  PHE  11           HE1      PHE  11  11.871   6.072 -10.418
  104    HE2  PHE  11           HE2      PHE  11  15.362   4.997  -8.230
  105    HZ   PHE  11           HZ       PHE  11  13.977   4.764 -10.322
  106    H    LEU  12           HN       LEU  12  12.562   6.230  -3.275
  107    HA   LEU  12           HA       LEU  12  11.823   8.614  -2.047
  108    HB2  LEU  12           HB2      LEU  12  11.466   5.735  -1.675
  109    HB3  LEU  12           HB1      LEU  12  10.972   6.872  -0.349
  110    HG   LEU  12           HG       LEU  12  10.166   7.005  -3.207
  111   HD11  LEU  12          HD11      LEU  12   8.746   5.327  -2.848
  112   HD12  LEU  12          HD12      LEU  12   7.935   6.278  -1.537
  113   HD13  LEU  12          HD13      LEU  12   9.340   5.201  -1.156
  114   HD21  LEU  12          HD21      LEU  12   8.243   8.393  -1.763
  115   HD22  LEU  12          HD22      LEU  12   9.658   9.114  -2.632
  116   HD23  LEU  12          HD23      LEU  12   9.774   8.750  -0.867
  117    H    PHE  13           HN       PHE  13  13.836   5.859  -1.750
  118    HA   PHE  13           HA       PHE  13  15.089   7.128   0.586
  119    HB2  PHE  13           HB2      PHE  13  14.597   4.196   0.122
  120    HB3  PHE  13           HB1      PHE  13  15.188   4.948   1.677
  121    HD1  PHE  13           HD1      PHE  13  12.725   4.030  -0.458
  122    HD2  PHE  13           HD2      PHE  13  13.425   6.372   2.923
  123    HE1  PHE  13           HE1      PHE  13  10.531   4.194  -0.252
  124    HE2  PHE  13           HE2      PHE  13  11.011   6.512   3.281
  125    HZ   PHE  13           HZ       PHE  13   9.465   5.389   1.698
  126    H    DLE  14           HN       DLE  14  15.247   5.086  -2.267
  127    HA   DLE  14           HA       DLE  14  18.025   4.946  -1.698
  128    HB2  DLE  14           HB2      DLE  14  17.201   6.363  -3.830
  129    HB3  DLE  14           HB1      DLE  14  18.816   5.592  -3.667
  130    HG   DLE  14           HG       DLE  14  16.581   3.929  -4.727
  131   HD11  DLE  14          HD11      DLE  14  16.547   4.978  -6.863
  132   HD12  DLE  14          HD12      DLE  14  17.937   6.046  -6.465
  133   HD13  DLE  14          HD13      DLE  14  16.339   6.294  -5.648
  134   HD21  DLE  14          HD21      DLE  14  18.266   2.649  -5.465
  135   HD22  DLE  14          HD22      DLE  14  19.352   3.677  -4.462
  136   HD23  DLE  14          HD23      DLE  14  19.131   4.045  -6.224
  137    H    ARG  15           HN       ARG  15  15.581   3.436  -1.178
  138    HA   ARG  15           HA       ARG  15  15.563   1.332  -0.463
  139    HB2  ARG  15           HB2      ARG  15  15.743   1.031  -3.456
  140    HB3  ARG  15           HB1      ARG  15  15.308  -0.336  -2.360
  141    HG2  ARG  15           HG2      ARG  15  13.924   2.388  -2.196
  142    HG3  ARG  15           HG1      ARG  15  13.336   1.097  -3.316
  143    HD2  ARG  15           HD2      ARG  15  12.101   0.480  -1.417
  144    HD3  ARG  15           HD1      ARG  15  13.656  -0.340  -0.958
  145    HE   ARG  15           HE       ARG  15  13.560   2.458  -0.100
  146   HH11  ARG  15          HH11      ARG  15  12.590  -0.896   0.608
  147   HH12  ARG  15          HH12      ARG  15  12.474  -0.665   2.321
  148   HH21  ARG  15          HH21      ARG  15  13.398   2.774   2.232
  149   HH22  ARG  15          HH22      ARG  15  12.942   1.456   3.258
  150    H    LYS  16           HN       LYS  16  17.742   2.588  -0.340
  151    HA   LYS  16           HA       LYS  16  19.899   0.657  -0.695
  152    HB2  LYS  16           HB2      LYS  16  21.437   2.564  -0.775
  153    HB3  LYS  16           HB1      LYS  16  20.098   2.897  -1.937
  154    HG2  LYS  16           HG2      LYS  16  18.931   4.255  -0.167
  155    HG3  LYS  16           HG1      LYS  16  20.338   4.008   0.925
  156    HD2  LYS  16           HD2      LYS  16  21.693   5.473  -0.261
  157    HD3  LYS  16           HD1      LYS  16  20.943   5.071  -1.845
  158    HE2  LYS  16           HE2      LYS  16  19.001   6.510  -1.393
  159    HE3  LYS  16           HE1      LYS  16  19.503   6.738   0.334
  160    HZ1  LYS  16           HZ1      LYS  16  21.410   7.464  -1.777
  161    HZ2  LYS  16           HZ2      LYS  16  21.136   8.160  -0.252
  162    HZ3  LYS  16           HZ3      LYS  16  20.061   8.465  -1.530
  163    H    LYS  17           HN       LYS  17  17.634   1.640   1.430
  164    HA   LYS  17           HA       LYS  17  19.547   1.429   3.603
  165    HB2  LYS  17           HB2      LYS  17  17.075   3.228   3.667
  166    HB3  LYS  17           HB1      LYS  17  18.364   3.111   4.921
  167    HG2  LYS  17           HG2      LYS  17  20.026   3.918   3.144
  168    HG3  LYS  17           HG1      LYS  17  18.620   4.225   2.069
  169    HD2  LYS  17           HD2      LYS  17  18.979   5.471   4.870
  170    HD3  LYS  17           HD1      LYS  17  19.453   6.272   3.332
  171    HE2  LYS  17           HE2      LYS  17  17.049   6.157   2.551
  172    HE3  LYS  17           HE1      LYS  17  16.591   5.410   4.139
  173    HZ1  LYS  17           HZ1      LYS  17  16.393   7.446   4.878
  174    HZ2  LYS  17           HZ2      LYS  17  17.055   8.127   3.470
  175    HZ3  LYS  17           HZ3      LYS  17  18.073   7.650   4.743
  Start of MODEL    6
    1    H1   GLU   1           HT1      GLU   1   6.622  -9.438  -4.502
    2    H2   GLU   1           HT2      GLU   1   7.968  -8.408  -4.595
    3    H3   GLU   1           HT3      GLU   1   6.654  -8.186  -5.648
    4    HA   GLU   1           HA       GLU   1   5.560  -8.109  -3.156
    5    HB2  GLU   1           HB2      GLU   1   8.213  -6.577  -3.335
    6    HB3  GLU   1           HB1      GLU   1   6.924  -6.142  -2.156
    7    HG2  GLU   1           HG2      GLU   1   7.090  -8.350  -1.057
    8    HG3  GLU   1           HG1      GLU   1   8.255  -8.930  -2.312
    9    H    MET   2           HN       MET   2   7.416  -5.721  -5.196
   10    HA   MET   2           HA       MET   2   4.873  -4.657  -6.128
   11    HB2  MET   2           HB2      MET   2   6.677  -3.160  -4.232
   12    HB3  MET   2           HB1      MET   2   6.211  -2.272  -5.740
   13    HG2  MET   2           HG2      MET   2   3.970  -2.187  -5.196
   14    HG3  MET   2           HG1      MET   2   4.004  -3.694  -4.218
   15    HE1  MET   2           HE1      MET   2   2.385  -1.182  -3.499
   16    HE2  MET   2           HE2      MET   2   2.665  -1.058  -1.729
   17    HE3  MET   2           HE3      MET   2   2.455  -2.671  -2.494
   18    H    ARG   3           HN       ARG   3   5.253  -2.860  -7.382
   19    HA   ARG   3           HA       ARG   3   7.257  -3.417  -9.305
   20    HB2  ARG   3           HB2      ARG   3   4.408  -2.666  -9.272
   21    HB3  ARG   3           HB1      ARG   3   5.358  -1.622 -10.362
   22    HG2  ARG   3           HG2      ARG   3   6.137  -3.376 -11.615
   23    HG3  ARG   3           HG1      ARG   3   5.646  -4.608 -10.381
   24    HD2  ARG   3           HD2      ARG   3   3.210  -3.930 -10.807
   25    HD3  ARG   3           HD1      ARG   3   3.807  -2.910 -12.187
   26    HE   ARG   3           HE       ARG   3   4.889  -5.539 -12.523
   27   HH11  ARG   3          HH11      ARG   3   1.757  -3.845 -12.456
   28   HH12  ARG   3          HH12      ARG   3   0.968  -4.935 -13.545
   29   HH21  ARG   3          HH21      ARG   3   3.815  -7.025 -14.003
   30   HH22  ARG   3          HH22      ARG   3   2.159  -6.775 -14.439
   31    H    ILE   4           HN       ILE   4   6.754  -0.955 -10.465
   32    HA   ILE   4           HA       ILE   4   8.621   0.601  -9.994
   33    HB   ILE   4           HB       ILE   4   6.780   2.483 -10.221
   34   HG12  ILE   4          HG12      ILE   4   4.741   1.598 -11.239
   35   HG13  ILE   4          HG11      ILE   4   5.383  -0.074 -11.207
   36   HG21  ILE   4          HG21      ILE   4   8.518   1.909 -11.908
   37   HG22  ILE   4          HG22      ILE   4   6.907   2.023 -12.710
   38   HG23  ILE   4          HG23      ILE   4   7.619   0.404 -12.347
   39   HD11  ILE   4          HD11      ILE   4   5.134  -0.259  -8.780
   40   HD12  ILE   4          HD12      ILE   4   3.633   0.574  -9.362
   41   HD13  ILE   4          HD13      ILE   4   4.964   1.536  -8.619
   42    H    SER   5           HN       SER   5   6.315   0.016  -7.651
   43    HA   SER   5           HA       SER   5   6.197   2.344  -6.247
   44    HB2  SER   5           HB2      SER   5   6.190  -0.516  -5.409
   45    HB3  SER   5           HB1      SER   5   5.718   0.838  -4.301
   46    HG   SER   5           HG       SER   5   3.847   0.920  -5.230
   47    H    ARG   6           HN       ARG   6   8.171  -0.373  -6.428
   48    HA   ARG   6           HA       ARG   6   9.695  -0.005  -4.113
   49    HB2  ARG   6           HB2      ARG   6  10.818  -1.936  -4.955
   50    HB3  ARG   6           HB1      ARG   6   9.085  -2.099  -5.475
   51    HG2  ARG   6           HG2      ARG   6   9.778  -0.778  -7.557
   52    HG3  ARG   6           HG1      ARG   6  11.479  -1.258  -7.117
   53    HD2  ARG   6           HD2      ARG   6   9.122  -3.186  -7.351
   54    HD3  ARG   6           HD1      ARG   6  10.325  -2.871  -8.685
   55    HE   ARG   6           HE       ARG   6  11.694  -3.519  -6.204
   56   HH11  ARG   6          HH11      ARG   6   9.748  -4.937  -8.831
   57   HH12  ARG   6          HH12      ARG   6  10.461  -6.512  -8.721
   58   HH21  ARG   6          HH21      ARG   6  12.665  -5.664  -6.053
   59   HH22  ARG   6          HH22      ARG   6  12.147  -6.932  -7.113
   60    H    ILE   7           HN       ILE   7   9.420   1.226  -7.255
   61    HA   ILE   7           HA       ILE   7  12.141   1.920  -7.359
   62    HB   ILE   7           HB       ILE   7   9.882   2.097  -9.265
   63   HG12  ILE   7          HG12      ILE   7  12.507   0.643  -9.615
   64   HG13  ILE   7          HG11      ILE   7  11.376   0.071  -8.343
   65   HG21  ILE   7          HG21      ILE   7  11.243   4.100  -9.657
   66   HG22  ILE   7          HG22      ILE   7  11.668   2.887 -10.926
   67   HG23  ILE   7          HG23      ILE   7  12.770   3.148  -9.520
   68   HD11  ILE   7          HD11      ILE   7  11.269  -0.828 -10.920
   69   HD12  ILE   7          HD12      ILE   7  10.154   0.592 -11.044
   70   HD13  ILE   7          HD13      ILE   7   9.827  -0.712  -9.828
   71    H    ILE   8           HN       ILE   8   9.172   3.092  -6.523
   72    HA   ILE   8           HA       ILE   8   9.994   5.846  -6.771
   73    HB   ILE   8           HB       ILE   8   7.987   4.726  -4.877
   74   HG12  ILE   8          HG12      ILE   8   7.352   3.629  -6.772
   75   HG13  ILE   8          HG11      ILE   8   6.278   5.069  -6.792
   76   HG21  ILE   8          HG21      ILE   8   7.215   6.933  -4.691
   77   HG22  ILE   8          HG22      ILE   8   7.498   7.295  -6.437
   78   HG23  ILE   8          HG23      ILE   8   8.880   7.317  -5.273
   79   HD11  ILE   8          HD11      ILE   8   7.111   4.698  -9.054
   80   HD12  ILE   8          HD12      ILE   8   8.811   4.544  -8.462
   81   HD13  ILE   8          HD13      ILE   8   7.975   6.150  -8.406
   82    H    LEU   9           HN       LEU   9   9.659   3.324  -4.668
   83    HA   LEU   9           HA       LEU   9  10.473   4.390  -2.331
   84    HB2  LEU   9           HB2      LEU   9  10.164   1.955  -3.766
   85    HB3  LEU   9           HB1      LEU   9  11.433   1.858  -2.504
   86    HG   LEU   9           HG       LEU   9   8.697   2.934  -1.778
   87   HD11  LEU   9          HD11      LEU   9   8.099   0.908  -3.015
   88   HD12  LEU   9          HD12      LEU   9   7.990   0.525  -1.257
   89   HD13  LEU   9          HD13      LEU   9   9.413  -0.030  -2.222
   90   HD21  LEU   9          HD21      LEU   9  11.112   2.436  -0.449
   91   HD22  LEU   9          HD22      LEU   9  10.108   0.991  -0.017
   92   HD23  LEU   9          HD23      LEU   9   9.495   2.651   0.343
   93    H    ASP  10           HN       ASP  10  12.098   3.300  -5.093
   94    HA   ASP  10           HA       ASP  10  14.491   3.285  -3.647
   95    HB2  ASP  10           HB2      ASP  10  13.448   3.148  -6.378
   96    HB3  ASP  10           HB1      ASP  10  15.127   3.781  -6.280
   97    H    PHE  11           HN       PHE  11  12.432   5.541  -5.322
   98    HA   PHE  11           HA       PHE  11  14.497   7.526  -5.406
   99    HB2  PHE  11           HB2      PHE  11  11.566   7.509  -6.055
  100    HB3  PHE  11           HB1      PHE  11  12.700   8.884  -6.481
  101    HD1  PHE  11           HD1      PHE  11  11.259   7.571  -8.615
  102    HD2  PHE  11           HD2      PHE  11  14.826   6.395  -6.670
  103    HE1  PHE  11           HE1      PHE  11  11.849   6.085 -10.420
  104    HE2  PHE  11           HE2      PHE  11  15.345   4.959  -8.271
  105    HZ   PHE  11           HZ       PHE  11  13.940   4.756 -10.349
  106    H    LEU  12           HN       LEU  12  12.603   6.187  -3.285
  107    HA   LEU  12           HA       LEU  12  11.979   8.577  -1.992
  108    HB2  LEU  12           HB2      LEU  12  11.512   5.704  -1.667
  109    HB3  LEU  12           HB1      LEU  12  11.092   6.849  -0.321
  110    HG   LEU  12           HG       LEU  12  10.249   7.069  -3.160
  111   HD11  LEU  12          HD11      LEU  12   9.379   5.256  -1.131
  112   HD12  LEU  12          HD12      LEU  12   8.786   5.428  -2.820
  113   HD13  LEU  12          HD13      LEU  12   8.011   6.385  -1.491
  114   HD21  LEU  12          HD21      LEU  12   9.991   8.778  -0.788
  115   HD22  LEU  12          HD22      LEU  12   8.407   8.481  -1.611
  116   HD23  LEU  12          HD23      LEU  12   9.799   9.174  -2.536
  117    H    PHE  13           HN       PHE  13  13.893   5.705  -1.816
  118    HA   PHE  13           HA       PHE  13  15.306   6.926   0.464
  119    HB2  PHE  13           HB2      PHE  13  14.604   4.011   0.145
  120    HB3  PHE  13           HB1      PHE  13  15.286   4.798   1.642
  121    HD1  PHE  13           HD1      PHE  13  12.717   3.976  -0.428
  122    HD2  PHE  13           HD2      PHE  13  13.648   6.312   2.902
  123    HE1  PHE  13           HE1      PHE  13  10.547   4.276  -0.163
  124    HE2  PHE  13           HE2      PHE  13  11.260   6.603   3.322
  125    HZ   PHE  13           HZ       PHE  13   9.605   5.553   1.799
  126    H    DLE  14           HN       DLE  14  15.210   4.897  -2.428
  127    HA   DLE  14           HA       DLE  14  18.062   4.651  -2.115
  128    HB2  DLE  14           HB2      DLE  14  18.274   3.902  -4.421
  129    HB3  DLE  14           HB1      DLE  14  16.493   4.190  -4.618
  130    HG   DLE  14           HG       DLE  14  16.941   6.457  -3.691
  131   HD11  DLE  14          HD11      DLE  14  19.397   5.375  -3.190
  132   HD12  DLE  14          HD12      DLE  14  19.048   7.156  -3.233
  133   HD13  DLE  14          HD13      DLE  14  19.758   6.343  -4.685
  134   HD21  DLE  14          HD21      DLE  14  16.773   5.444  -6.238
  135   HD22  DLE  14          HD22      DLE  14  18.267   6.465  -6.351
  136   HD23  DLE  14          HD23      DLE  14  16.698   7.192  -5.803
  137    H    ARG  15           HN       ARG  15  15.634   3.354  -1.158
  138    HA   ARG  15           HA       ARG  15  15.387   1.399  -0.351
  139    HB2  ARG  15           HB2      ARG  15  15.793   0.828  -3.286
  140    HB3  ARG  15           HB1      ARG  15  15.226  -0.460  -2.145
  141    HG2  ARG  15           HG2      ARG  15  13.886   2.253  -1.988
  142    HG3  ARG  15           HG1      ARG  15  13.505   1.216  -3.428
  143    HD2  ARG  15           HD2      ARG  15  13.553  -0.061  -0.647
  144    HD3  ARG  15           HD1      ARG  15  12.109   0.916  -1.143
  145    HE   ARG  15           HE       ARG  15  12.640  -0.748  -3.335
  146   HH11  ARG  15          HH11      ARG  15  11.965  -1.128   0.145
  147   HH12  ARG  15          HH12      ARG  15  11.202  -2.675  -0.007
  148   HH21  ARG  15          HH21      ARG  15  11.602  -2.871  -3.540
  149   HH22  ARG  15          HH22      ARG  15  10.993  -3.682  -2.136
  150    H    LYS  16           HN       LYS  16  17.768   2.590  -0.375
  151    HA   LYS  16           HA       LYS  16  19.809   0.552  -0.525
  152    HB2  LYS  16           HB2      LYS  16  21.394   2.501  -0.369
  153    HB3  LYS  16           HB1      LYS  16  20.294   2.600  -1.802
  154    HG2  LYS  16           HG2      LYS  16  18.795   4.097  -0.610
  155    HG3  LYS  16           HG1      LYS  16  19.775   3.994   0.882
  156    HD2  LYS  16           HD2      LYS  16  21.615   5.187  -0.138
  157    HD3  LYS  16           HD1      LYS  16  20.924   4.998  -1.788
  158    HE2  LYS  16           HE2      LYS  16  19.022   6.506  -1.212
  159    HE3  LYS  16           HE1      LYS  16  19.627   6.646   0.492
  160    HZ1  LYS  16           HZ1      LYS  16  21.277   7.377  -1.867
  161    HZ2  LYS  16           HZ2      LYS  16  21.522   7.778  -0.236
  162    HZ3  LYS  16           HZ3      LYS  16  20.231   8.468  -1.097
  163    H    LYS  17           HN       LYS  17  17.772   2.456   1.463
  164    HA   LYS  17           HA       LYS  17  19.105   1.385   3.762
  165    HB2  LYS  17           HB2      LYS  17  18.405   4.349   3.433
  166    HB3  LYS  17           HB1      LYS  17  18.922   3.589   4.984
  167    HG2  LYS  17           HG2      LYS  17  20.629   3.519   2.426
  168    HG3  LYS  17           HG1      LYS  17  20.753   4.832   3.656
  169    HD2  LYS  17           HD2      LYS  17  21.279   3.071   5.405
  170    HD3  LYS  17           HD1      LYS  17  21.233   1.818   4.118
  171    HE2  LYS  17           HE2      LYS  17  23.130   2.961   2.928
  172    HE3  LYS  17           HE1      LYS  17  23.175   4.226   4.227
  173    HZ1  LYS  17           HZ1      LYS  17  24.791   2.466   4.547
  174    HZ2  LYS  17           HZ2      LYS  17  23.557   1.304   4.640
  175    HZ3  LYS  17           HZ3      LYS  17  23.669   2.520   5.820
  Start of MODEL    7
    1    H1   GLU   1           HT1      GLU   1   8.841  -9.543  -7.312
    2    H2   GLU   1           HT2      GLU   1   8.832  -9.595  -9.011
    3    H3   GLU   1           HT3      GLU   1   7.875 -10.681  -8.123
    4    HA   GLU   1           HA       GLU   1   6.968  -8.451  -9.203
    5    HB2  GLU   1           HB2      GLU   1   6.099  -9.827  -6.600
    6    HB3  GLU   1           HB1      GLU   1   5.086  -8.599  -7.442
    7    HG2  GLU   1           HG2      GLU   1   4.958 -10.042  -9.474
    8    HG3  GLU   1           HG1      GLU   1   6.039 -11.264  -8.696
    9    H    MET   2           HN       MET   2   6.178  -6.323  -8.446
   10    HA   MET   2           HA       MET   2   7.272  -5.367  -5.938
   11    HB2  MET   2           HB2      MET   2   7.940  -3.097  -7.285
   12    HB3  MET   2           HB1      MET   2   9.174  -4.458  -7.102
   13    HG2  MET   2           HG2      MET   2   7.312  -4.667  -9.477
   14    HG3  MET   2           HG1      MET   2   8.508  -3.346  -9.511
   15    HE1  MET   2           HE1      MET   2  11.179  -3.788 -10.279
   16    HE2  MET   2           HE2      MET   2  11.902  -4.952  -9.114
   17    HE3  MET   2           HE3      MET   2  10.771  -3.683  -8.529
   18    H    ARG   3           HN       ARG   3   6.728  -3.550  -5.336
   19    HA   ARG   3           HA       ARG   3   4.552  -2.531  -6.762
   20    HB2  ARG   3           HB2      ARG   3   5.116  -2.773  -3.916
   21    HB3  ARG   3           HB1      ARG   3   4.469  -1.146  -4.451
   22    HG2  ARG   3           HG2      ARG   3   2.483  -2.420  -4.262
   23    HG3  ARG   3           HG1      ARG   3   2.959  -2.507  -6.019
   24    HD2  ARG   3           HD2      ARG   3   3.642  -4.740  -5.896
   25    HD3  ARG   3           HD1      ARG   3   3.884  -4.710  -4.088
   26    HE   ARG   3           HE       ARG   3   1.108  -4.208  -4.625
   27   HH11  ARG   3          HH11      ARG   3   3.586  -6.740  -4.980
   28   HH12  ARG   3          HH12      ARG   3   2.484  -8.064  -4.806
   29   HH21  ARG   3          HH21      ARG   3  -0.397  -6.012  -4.381
   30   HH22  ARG   3          HH22      ARG   3   0.181  -7.642  -4.459
   31    H    ILE   4           HN       ILE   4   4.902  -1.179  -7.981
   32    HA   ILE   4           HA       ILE   4   7.246  -0.289  -8.666
   33    HB   ILE   4           HB       ILE   4   4.856   1.375  -8.994
   34   HG12  ILE   4          HG12      ILE   4   3.835  -0.748  -9.236
   35   HG13  ILE   4          HG11      ILE   4   4.300  -0.327 -10.932
   36   HG21  ILE   4          HG21      ILE   4   5.830   1.595 -11.329
   37   HG22  ILE   4          HG22      ILE   4   7.230   0.597 -10.778
   38   HG23  ILE   4          HG23      ILE   4   6.902   2.201 -10.006
   39   HD11  ILE   4          HD11      ILE   4   6.603  -1.692  -9.859
   40   HD12  ILE   4          HD12      ILE   4   5.379  -2.362 -11.016
   41   HD13  ILE   4          HD13      ILE   4   5.165  -2.606  -9.231
   42    H    SER   5           HN       SER   5   5.556   0.458  -6.111
   43    HA   SER   5           HA       SER   5   6.037   3.070  -5.771
   44    HB2  SER   5           HB2      SER   5   5.438   0.816  -3.927
   45    HB3  SER   5           HB1      SER   5   5.432   2.551  -3.369
   46    HG   SER   5           HG       SER   5   3.582   2.874  -4.348
   47    H    ARG   6           HN       ARG   6   7.343   0.160  -4.898
   48    HA   ARG   6           HA       ARG   6   9.014   1.050  -2.856
   49    HB2  ARG   6           HB2      ARG   6   9.468  -1.221  -2.718
   50    HB3  ARG   6           HB1      ARG   6   7.876  -1.235  -3.617
   51    HG2  ARG   6           HG2      ARG   6   9.093  -1.105  -5.730
   52    HG3  ARG   6           HG1      ARG   6  10.658  -1.374  -4.848
   53    HD2  ARG   6           HD2      ARG   6   8.188  -3.153  -4.594
   54    HD3  ARG   6           HD1      ARG   6   9.602  -3.501  -5.691
   55    HE   ARG   6           HE       ARG   6  10.574  -3.016  -3.026
   56   HH11  ARG   6          HH11      ARG   6   8.766  -5.391  -4.968
   57   HH12  ARG   6          HH12      ARG   6   9.196  -6.752  -3.990
   58   HH21  ARG   6          HH21      ARG   6  11.165  -4.874  -1.695
   59   HH22  ARG   6          HH22      ARG   6  10.580  -6.453  -2.099
   60    H    ILE   7           HN       ILE   7   8.854   1.146  -6.224
   61    HA   ILE   7           HA       ILE   7  11.635   1.123  -6.545
   62    HB   ILE   7           HB       ILE   7   9.357   1.377  -8.406
   63   HG12  ILE   7          HG12      ILE   7  11.364  -0.847  -8.329
   64   HG13  ILE   7          HG11      ILE   7  10.204  -0.687  -6.962
   65   HG21  ILE   7          HG21      ILE   7  11.215   0.998 -10.186
   66   HG22  ILE   7          HG22      ILE   7  12.388   1.466  -8.895
   67   HG23  ILE   7          HG23      ILE   7  11.132   2.642  -9.443
   68   HD11  ILE   7          HD11      ILE   7   8.490  -1.475  -8.192
   69   HD12  ILE   7          HD12      ILE   7   9.692  -1.898  -9.485
   70   HD13  ILE   7          HD13      ILE   7   8.825  -0.311  -9.532
   71    H    ILE   8           HN       ILE   8   9.066   3.158  -6.113
   72    HA   ILE   8           HA       ILE   8  10.430   5.437  -7.239
   73    HB   ILE   8           HB       ILE   8   8.341   5.424  -5.112
   74   HG12  ILE   8          HG12      ILE   8   7.433   3.894  -6.554
   75   HG13  ILE   8          HG11      ILE   8   6.631   5.427  -7.048
   76   HG21  ILE   8          HG21      ILE   8   9.709   7.499  -6.351
   77   HG22  ILE   8          HG22      ILE   8   8.042   7.680  -5.680
   78   HG23  ILE   8          HG23      ILE   8   8.276   7.378  -7.444
   79   HD11  ILE   8          HD11      ILE   8   8.490   5.571  -8.883
   80   HD12  ILE   8          HD12      ILE   8   7.235   4.278  -9.075
   81   HD13  ILE   8          HD13      ILE   8   8.871   3.859  -8.437
   82    H    LEU   9           HN       LEU   9   9.690   3.862  -4.417
   83    HA   LEU   9           HA       LEU   9  10.889   5.408  -2.571
   84    HB2  LEU   9           HB2      LEU   9   9.949   2.782  -3.099
   85    HB3  LEU   9           HB1      LEU   9  11.291   2.806  -1.906
   86    HG   LEU   9           HG       LEU   9   9.074   4.742  -1.395
   87   HD11  LEU   9          HD11      LEU   9   8.639   1.698  -1.131
   88   HD12  LEU   9          HD12      LEU   9   7.772   2.805  -2.253
   89   HD13  LEU   9          HD13      LEU   9   7.547   2.977  -0.475
   90   HD21  LEU   9          HD21      LEU   9   9.846   4.515   0.760
   91   HD22  LEU   9          HD22      LEU   9  11.278   3.752  -0.050
   92   HD23  LEU   9          HD23      LEU   9   9.961   2.716   0.639
   93    H    ASP  10           HN       ASP  10  12.026   3.142  -4.802
   94    HA   ASP  10           HA       ASP  10  14.447   2.945  -3.451
   95    HB2  ASP  10           HB2      ASP  10  13.151   2.315  -6.001
   96    HB3  ASP  10           HB1      ASP  10  14.921   2.514  -6.161
   97    H    PHE  11           HN       PHE  11  12.870   5.065  -5.714
   98    HA   PHE  11           HA       PHE  11  15.326   6.380  -6.405
   99    HB2  PHE  11           HB2      PHE  11  12.430   6.833  -7.071
  100    HB3  PHE  11           HB1      PHE  11  13.814   7.697  -7.899
  101    HD1  PHE  11           HD1      PHE  11  11.962   6.167  -9.510
  102    HD2  PHE  11           HD2      PHE  11  15.287   4.870  -7.273
  103    HE1  PHE  11           HE1      PHE  11  12.077   4.096 -10.742
  104    HE2  PHE  11           HE2      PHE  11  15.374   2.920  -8.315
  105    HZ   PHE  11           HZ       PHE  11  13.819   2.405 -10.233
  106    H    LEU  12           HN       LEU  12  13.257   6.276  -4.026
  107    HA   LEU  12           HA       LEU  12  13.214   9.028  -3.626
  108    HB2  LEU  12           HB2      LEU  12  12.199   6.592  -2.371
  109    HB3  LEU  12           HB1      LEU  12  12.079   8.166  -1.478
  110    HG   LEU  12           HG       LEU  12  11.135   7.596  -4.239
  111   HD11  LEU  12          HD11      LEU  12  10.029   6.816  -1.726
  112   HD12  LEU  12          HD12      LEU  12   9.378   6.536  -3.380
  113   HD13  LEU  12          HD13      LEU  12   8.911   8.031  -2.467
  114   HD21  LEU  12          HD21      LEU  12  11.217   9.837  -4.383
  115   HD22  LEU  12          HD22      LEU  12  11.325  10.036  -2.591
  116   HD23  LEU  12          HD23      LEU  12   9.712   9.808  -3.381
  117    H    PHE  13           HN       PHE  13  14.497   6.086  -2.430
  118    HA   PHE  13           HA       PHE  13  16.152   7.658  -0.579
  119    HB2  PHE  13           HB2      PHE  13  14.942   4.948  -0.097
  120    HB3  PHE  13           HB1      PHE  13  15.736   6.008   1.156
  121    HD1  PHE  13           HD1      PHE  13  13.036   4.996  -0.627
  122    HD2  PHE  13           HD2      PHE  13  14.418   8.163   1.720
  123    HE1  PHE  13           HE1      PHE  13  10.941   5.742  -0.570
  124    HE2  PHE  13           HE2      PHE  13  12.126   8.978   1.913
  125    HZ   PHE  13           HZ       PHE  13  10.285   7.759   0.783
  126    H    DLE  14           HN       DLE  14  15.657   4.910  -2.695
  127    HA   DLE  14           HA       DLE  14  18.330   4.223  -2.019
  128    HB2  DLE  14           HB2      DLE  14  17.749   5.035  -4.520
  129    HB3  DLE  14           HB1      DLE  14  19.130   3.973  -4.071
  130    HG   DLE  14           HG       DLE  14  16.485   2.686  -4.569
  131   HD11  DLE  14          HD11      DLE  14  16.575   2.941  -6.933
  132   HD12  DLE  14          HD12      DLE  14  18.209   3.692  -6.882
  133   HD13  DLE  14          HD13      DLE  14  16.776   4.592  -6.232
  134   HD21  DLE  14          HD21      DLE  14  18.884   1.640  -5.952
  135   HD22  DLE  14          HD22      DLE  14  17.745   0.845  -4.790
  136   HD23  DLE  14          HD23      DLE  14  19.117   1.830  -4.165
  137    H    ARG  15           HN       ARG  15  15.584   3.652  -1.154
  138    HA   ARG  15           HA       ARG  15  14.960   1.964   0.147
  139    HB2  ARG  15           HB2      ARG  15  15.230   0.716  -2.579
  140    HB3  ARG  15           HB1      ARG  15  14.561  -0.219  -1.188
  141    HG2  ARG  15           HG2      ARG  15  13.548   2.599  -1.649
  142    HG3  ARG  15           HG1      ARG  15  12.971   1.291  -2.764
  143    HD2  ARG  15           HD2      ARG  15  12.976   0.917   0.290
  144    HD3  ARG  15           HD1      ARG  15  11.580   1.705  -0.565
  145    HE   ARG  15           HE       ARG  15  12.144  -0.636  -2.019
  146   HH11  ARG  15          HH11      ARG  15  11.234   0.280   1.306
  147   HH12  ARG  15          HH12      ARG  15  10.370  -1.182   1.644
  148   HH21  ARG  15          HH21      ARG  15  10.964  -2.636  -1.551
  149   HH22  ARG  15          HH22      ARG  15  10.214  -2.868  -0.008
  150    H    LYS  16           HN       LYS  16  17.491   2.693   0.003
  151    HA   LYS  16           HA       LYS  16  19.066   0.311   0.572
  152    HB2  LYS  16           HB2      LYS  16  21.038   1.577  -0.110
  153    HB3  LYS  16           HB1      LYS  16  19.797   1.802  -1.400
  154    HG2  LYS  16           HG2      LYS  16  19.099   3.964  -0.273
  155    HG3  LYS  16           HG1      LYS  16  20.486   3.775   0.855
  156    HD2  LYS  16           HD2      LYS  16  22.060   4.299  -0.769
  157    HD3  LYS  16           HD1      LYS  16  21.104   3.562  -2.101
  158    HE2  LYS  16           HE2      LYS  16  19.620   5.527  -2.237
  159    HE3  LYS  16           HE1      LYS  16  20.331   6.230  -0.726
  160    HZ1  LYS  16           HZ1      LYS  16  22.242   5.590  -2.814
  161    HZ2  LYS  16           HZ2      LYS  16  22.095   6.967  -1.830
  162    HZ3  LYS  16           HZ3      LYS  16  21.120   6.802  -3.211
  163    H    LYS  17           HN       LYS  17  17.137   2.476   1.998
  164    HA   LYS  17           HA       LYS  17  18.944   2.653   4.254
  165    HB2  LYS  17           HB2      LYS  17  17.139   4.897   3.212
  166    HB3  LYS  17           HB1      LYS  17  18.025   4.943   4.783
  167    HG2  LYS  17           HG2      LYS  17  20.194   4.700   3.552
  168    HG3  LYS  17           HG1      LYS  17  19.294   4.681   1.997
  169    HD2  LYS  17           HD2      LYS  17  18.416   6.983   2.479
  170    HD3  LYS  17           HD1      LYS  17  19.321   7.004   4.032
  171    HE2  LYS  17           HE2      LYS  17  20.623   6.724   1.240
  172    HE3  LYS  17           HE1      LYS  17  20.525   8.257   2.202
  173    HZ1  LYS  17           HZ1      LYS  17  22.420   7.598   3.063
  174    HZ2  LYS  17           HZ2      LYS  17  22.283   6.014   2.464
  175    HZ3  LYS  17           HZ3      LYS  17  21.549   6.430   3.936
  Start of MODEL    8
    1    H1   GLU   1           HT1      GLU   1   5.792  -8.193  -7.596
    2    H2   GLU   1           HT2      GLU   1   6.134  -9.817  -7.958
    3    H3   GLU   1           HT3      GLU   1   6.006  -8.677  -9.210
    4    HA   GLU   1           HA       GLU   1   8.232  -9.381  -7.610
    5    HB2  GLU   1           HB2      GLU   1   8.145  -9.286 -10.133
    6    HB3  GLU   1           HB1      GLU   1   7.916  -7.505 -10.026
    7    HG2  GLU   1           HG2      GLU   1  10.166  -7.254  -8.947
    8    HG3  GLU   1           HG1      GLU   1  10.399  -9.046  -9.001
    9    H    MET   2           HN       MET   2   6.551  -6.248  -8.360
   10    HA   MET   2           HA       MET   2   7.582  -5.156  -5.906
   11    HB2  MET   2           HB2      MET   2   8.127  -2.864  -7.289
   12    HB3  MET   2           HB1      MET   2   9.443  -4.113  -6.990
   13    HG2  MET   2           HG2      MET   2   8.241  -5.078  -9.360
   14    HG3  MET   2           HG1      MET   2   8.158  -3.306  -9.548
   15    HE1  MET   2           HE1      MET   2   9.720  -3.311 -11.700
   16    HE2  MET   2           HE2      MET   2   9.408  -5.068 -11.488
   17    HE3  MET   2           HE3      MET   2  11.073  -4.487 -11.835
   18    H    ARG   3           HN       ARG   3   6.927  -3.361  -5.358
   19    HA   ARG   3           HA       ARG   3   4.616  -2.574  -6.724
   20    HB2  ARG   3           HB2      ARG   3   5.318  -2.696  -3.901
   21    HB3  ARG   3           HB1      ARG   3   4.555  -1.121  -4.432
   22    HG2  ARG   3           HG2      ARG   3   2.654  -2.484  -4.128
   23    HG3  ARG   3           HG1      ARG   3   3.049  -2.601  -5.898
   24    HD2  ARG   3           HD2      ARG   3   2.471  -4.852  -4.928
   25    HD3  ARG   3           HD1      ARG   3   4.186  -4.776  -5.531
   26    HE   ARG   3           HE       ARG   3   4.078  -4.076  -2.710
   27   HH11  ARG   3          HH11      ARG   3   3.771  -6.787  -4.997
   28   HH12  ARG   3          HH12      ARG   3   4.319  -7.994  -3.882
   29   HH21  ARG   3          HH21      ARG   3   4.826  -5.715  -1.191
   30   HH22  ARG   3          HH22      ARG   3   4.929  -7.373  -1.681
   31    H    ILE   4           HN       ILE   4   4.752  -1.165  -7.929
   32    HA   ILE   4           HA       ILE   4   6.976  -0.092  -8.769
   33    HB   ILE   4           HB       ILE   4   4.485   1.404  -8.968
   34   HG12  ILE   4          HG12      ILE   4   3.553  -0.780  -9.100
   35   HG13  ILE   4          HG11      ILE   4   3.898  -0.390 -10.829
   36   HG21  ILE   4          HG21      ILE   4   6.799   0.699 -10.855
   37   HG22  ILE   4          HG22      ILE   4   6.387   2.310 -10.147
   38   HG23  ILE   4          HG23      ILE   4   5.304   1.562 -11.386
   39   HD11  ILE   4          HD11      ILE   4   5.115  -2.348 -10.943
   40   HD12  ILE   4          HD12      ILE   4   4.942  -2.601  -9.153
   41   HD13  ILE   4          HD13      ILE   4   6.323  -1.624  -9.800
   42    H    SER   5           HN       SER   5   5.590   0.509  -6.016
   43    HA   SER   5           HA       SER   5   5.973   3.210  -5.862
   44    HB2  SER   5           HB2      SER   5   5.215   1.074  -3.930
   45    HB3  SER   5           HB1      SER   5   5.277   2.833  -3.453
   46    HG   SER   5           HG       SER   5   3.506   3.225  -4.582
   47    H    ARG   6           HN       ARG   6   7.174   0.291  -4.893
   48    HA   ARG   6           HA       ARG   6   8.826   1.204  -2.819
   49    HB2  ARG   6           HB2      ARG   6   9.160  -1.048  -2.540
   50    HB3  ARG   6           HB1      ARG   6   7.625  -1.063  -3.525
   51    HG2  ARG   6           HG2      ARG   6   8.971  -1.094  -5.558
   52    HG3  ARG   6           HG1      ARG   6  10.458  -1.393  -4.566
   53    HD2  ARG   6           HD2      ARG   6   7.870  -2.990  -4.324
   54    HD3  ARG   6           HD1      ARG   6   9.295  -3.526  -5.317
   55    HE   ARG   6           HE       ARG   6   9.153  -3.385  -2.342
   56   HH11  ARG   6          HH11      ARG   6  11.091  -3.822  -5.306
   57   HH12  ARG   6          HH12      ARG   6  12.415  -4.605  -4.511
   58   HH21  ARG   6          HH21      ARG   6  10.963  -4.465  -1.266
   59   HH22  ARG   6          HH22      ARG   6  12.341  -4.973  -2.182
   60    H    ILE   7           HN       ILE   7   8.674   1.200  -6.143
   61    HA   ILE   7           HA       ILE   7  11.432   1.022  -6.580
   62    HB   ILE   7           HB       ILE   7   9.035   1.477  -8.262
   63   HG12  ILE   7          HG12      ILE   7  10.963  -0.849  -8.215
   64   HG13  ILE   7          HG11      ILE   7   9.621  -0.674  -7.028
   65   HG21  ILE   7          HG21      ILE   7  12.012   1.355  -9.037
   66   HG22  ILE   7          HG22      ILE   7  10.833   2.680  -9.380
   67   HG23  ILE   7          HG23      ILE   7  10.675   1.088 -10.217
   68   HD11  ILE   7          HD11      ILE   7   9.446  -1.657  -9.742
   69   HD12  ILE   7          HD12      ILE   7   8.557  -0.083  -9.653
   70   HD13  ILE   7          HD13      ILE   7   8.127  -1.424  -8.525
   71    H    ILE   8           HN       ILE   8   8.956   3.224  -6.132
   72    HA   ILE   8           HA       ILE   8  10.437   5.412  -7.277
   73    HB   ILE   8           HB       ILE   8   8.358   5.517  -5.146
   74   HG12  ILE   8          HG12      ILE   8   7.396   4.005  -6.574
   75   HG13  ILE   8          HG11      ILE   8   6.642   5.563  -7.068
   76   HG21  ILE   8          HG21      ILE   8   8.139   7.777  -5.752
   77   HG22  ILE   8          HG22      ILE   8   8.398   7.444  -7.506
   78   HG23  ILE   8          HG23      ILE   8   9.811   7.520  -6.384
   79   HD11  ILE   8          HD11      ILE   8   8.483   5.631  -8.925
   80   HD12  ILE   8          HD12      ILE   8   7.187   4.371  -9.092
   81   HD13  ILE   8          HD13      ILE   8   8.818   3.912  -8.462
   82    H    LEU   9           HN       LEU   9   9.624   3.925  -4.424
   83    HA   LEU   9           HA       LEU   9  10.892   5.450  -2.612
   84    HB2  LEU   9           HB2      LEU   9   9.829   2.865  -3.090
   85    HB3  LEU   9           HB1      LEU   9  11.168   2.843  -1.891
   86    HG   LEU   9           HG       LEU   9   9.030   4.894  -1.450
   87   HD11  LEU   9          HD11      LEU   9   7.449   3.215  -0.457
   88   HD12  LEU   9          HD12      LEU   9   8.501   1.879  -1.069
   89   HD13  LEU   9          HD13      LEU   9   7.661   2.969  -2.229
   90   HD21  LEU   9          HD21      LEU   9  11.203   3.887  -0.069
   91   HD22  LEU   9          HD22      LEU   9   9.853   2.923   0.663
   92   HD23  LEU   9          HD23      LEU   9   9.800   4.727   0.711
   93    H    ASP  10           HN       ASP  10  11.929   3.082  -4.791
   94    HA   ASP  10           HA       ASP  10  14.340   2.824  -3.422
   95    HB2  ASP  10           HB2      ASP  10  13.013   2.146  -5.942
   96    HB3  ASP  10           HB1      ASP  10  14.789   2.275  -6.117
   97    H    PHE  11           HN       PHE  11  12.857   4.932  -5.754
   98    HA   PHE  11           HA       PHE  11  15.369   6.126  -6.474
   99    HB2  PHE  11           HB2      PHE  11  12.494   6.687  -7.158
  100    HB3  PHE  11           HB1      PHE  11  13.920   7.459  -8.011
  101    HD1  PHE  11           HD1      PHE  11  11.994   5.953  -9.570
  102    HD2  PHE  11           HD2      PHE  11  15.271   4.597  -7.301
  103    HE1  PHE  11           HE1      PHE  11  12.019   3.838 -10.729
  104    HE2  PHE  11           HE2      PHE  11  15.273   2.610  -8.276
  105    HZ   PHE  11           HZ       PHE  11  13.690   2.094 -10.166
  106    H    LEU  12           HN       LEU  12  13.298   6.181  -4.093
  107    HA   LEU  12           HA       LEU  12  13.362   8.944  -3.783
  108    HB2  LEU  12           HB2      LEU  12  12.248   6.590  -2.458
  109    HB3  LEU  12           HB1      LEU  12  12.197   8.194  -1.608
  110    HG   LEU  12           HG       LEU  12  11.235   7.600  -4.357
  111   HD11  LEU  12          HD11      LEU  12   9.438   6.623  -3.476
  112   HD12  LEU  12          HD12      LEU  12   9.023   8.157  -2.607
  113   HD13  LEU  12          HD13      LEU  12  10.092   6.919  -1.829
  114   HD21  LEU  12          HD21      LEU  12  11.534  10.061  -2.765
  115   HD22  LEU  12          HD22      LEU  12   9.900   9.885  -3.526
  116   HD23  LEU  12          HD23      LEU  12  11.391   9.832  -4.548
  117    H    PHE  13           HN       PHE  13  14.524   5.995  -2.487
  118    HA   PHE  13           HA       PHE  13  16.236   7.566  -0.685
  119    HB2  PHE  13           HB2      PHE  13  14.922   4.918  -0.125
  120    HB3  PHE  13           HB1      PHE  13  15.762   5.979   1.098
  121    HD1  PHE  13           HD1      PHE  13  13.027   5.032  -0.660
  122    HD2  PHE  13           HD2      PHE  13  14.531   8.200   1.608
  123    HE1  PHE  13           HE1      PHE  13  10.963   5.864  -0.630
  124    HE2  PHE  13           HE2      PHE  13  12.273   9.113   1.773
  125    HZ   PHE  13           HZ       PHE  13  10.387   7.941   0.669
  126    H    DLE  14           HN       DLE  14  15.649   4.784  -2.730
  127    HA   DLE  14           HA       DLE  14  18.297   4.026  -2.032
  128    HB2  DLE  14           HB2      DLE  14  17.724   4.761  -4.557
  129    HB3  DLE  14           HB1      DLE  14  19.074   3.672  -4.076
  130    HG   DLE  14           HG       DLE  14  16.381   2.455  -4.509
  131   HD11  DLE  14          HD11      DLE  14  16.735   4.285  -6.248
  132   HD12  DLE  14          HD12      DLE  14  16.468   2.613  -6.883
  133   HD13  DLE  14          HD13      DLE  14  18.127   3.310  -6.869
  134   HD21  DLE  14          HD21      DLE  14  18.996   1.533  -4.096
  135   HD22  DLE  14          HD22      DLE  14  18.721   1.266  -5.867
  136   HD23  DLE  14          HD23      DLE  14  17.579   0.568  -4.647
  137    H    ARG  15           HN       ARG  15  15.526   3.581  -1.150
  138    HA   ARG  15           HA       ARG  15  14.851   1.976   0.224
  139    HB2  ARG  15           HB2      ARG  15  15.070   0.605  -2.447
  140    HB3  ARG  15           HB1      ARG  15  14.365  -0.244  -1.019
  141    HG2  ARG  15           HG2      ARG  15  13.467   2.592  -1.601
  142    HG3  ARG  15           HG1      ARG  15  12.833   1.262  -2.658
  143    HD2  ARG  15           HD2      ARG  15  12.833   0.969   0.398
  144    HD3  ARG  15           HD1      ARG  15  11.498   1.866  -0.445
  145    HE   ARG  15           HE       ARG  15  11.824  -0.528  -1.882
  146   HH11  ARG  15          HH11      ARG  15  11.106   0.481   1.461
  147   HH12  ARG  15          HH12      ARG  15  10.115  -0.889   1.833
  148   HH21  ARG  15          HH21      ARG  15  10.464  -2.401  -1.372
  149   HH22  ARG  15          HH22      ARG  15   9.744  -2.554   0.196
  150    H    LYS  16           HN       LYS  16  17.406   2.611   0.050
  151    HA   LYS  16           HA       LYS  16  18.906   0.202   0.709
  152    HB2  LYS  16           HB2      LYS  16  20.919   1.385  -0.002
  153    HB3  LYS  16           HB1      LYS  16  19.690   1.599  -1.307
  154    HG2  LYS  16           HG2      LYS  16  19.052   3.819  -0.266
  155    HG3  LYS  16           HG1      LYS  16  20.421   3.630   0.885
  156    HD2  LYS  16           HD2      LYS  16  22.025   4.053  -0.739
  157    HD3  LYS  16           HD1      LYS  16  21.064   3.292  -2.054
  158    HE2  LYS  16           HE2      LYS  16  19.640   5.288  -2.285
  159    HE3  LYS  16           HE1      LYS  16  20.336   6.022  -0.783
  160    HZ1  LYS  16           HZ1      LYS  16  22.227   6.576  -1.841
  161    HZ2  LYS  16           HZ2      LYS  16  21.183   6.615  -3.180
  162    HZ3  LYS  16           HZ3      LYS  16  22.189   5.270  -2.925
  163    H    LYS  17           HN       LYS  17  17.053   2.489   2.061
  164    HA   LYS  17           HA       LYS  17  18.875   2.671   4.307
  165    HB2  LYS  17           HB2      LYS  17  17.127   4.935   3.213
  166    HB3  LYS  17           HB1      LYS  17  18.027   5.000   4.774
  167    HG2  LYS  17           HG2      LYS  17  20.179   4.663   3.535
  168    HG3  LYS  17           HG1      LYS  17  19.266   4.622   1.988
  169    HD2  LYS  17           HD2      LYS  17  18.463   6.960   2.392
  170    HD3  LYS  17           HD1      LYS  17  19.355   7.002   3.953
  171    HE2  LYS  17           HE2      LYS  17  21.530   6.721   2.727
  172    HE3  LYS  17           HE1      LYS  17  20.631   6.667   1.154
  173    HZ1  LYS  17           HZ1      LYS  17  21.612   8.870   2.291
  174    HZ2  LYS  17           HZ2      LYS  17  20.012   8.922   2.860
  175    HZ3  LYS  17           HZ3      LYS  17  20.318   8.845   1.192
  Start of MODEL    9
    1    H1   GLU   1           HT1      GLU   1   7.482  -7.756 -10.265
    2    H2   GLU   1           HT2      GLU   1   6.272  -7.223  -9.196
    3    H3   GLU   1           HT3      GLU   1   6.313  -8.848  -9.692
    4    HA   GLU   1           HA       GLU   1   7.357  -9.223  -7.810
    5    HB2  GLU   1           HB2      GLU   1   9.180  -9.499  -9.487
    6    HB3  GLU   1           HB1      GLU   1   9.574  -7.753  -9.351
    7    HG2  GLU   1           HG2      GLU   1  11.224  -9.068  -8.062
    8    HG3  GLU   1           HG1      GLU   1  10.212  -8.113  -6.911
    9    H    MET   2           HN       MET   2   7.935  -5.788  -8.804
   10    HA   MET   2           HA       MET   2   8.029  -5.121  -5.931
   11    HB2  MET   2           HB2      MET   2   8.449  -2.648  -7.290
   12    HB3  MET   2           HB1      MET   2   9.747  -3.652  -6.505
   13    HG2  MET   2           HG2      MET   2   8.900  -4.140  -9.410
   14    HG3  MET   2           HG1      MET   2  10.182  -2.986  -8.939
   15    HE1  MET   2           HE1      MET   2  13.187  -4.830  -7.877
   16    HE2  MET   2           HE2      MET   2  12.006  -3.816  -6.977
   17    HE3  MET   2           HE3      MET   2  12.453  -3.392  -8.666
   18    H    ARG   3           HN       ARG   3   7.328  -3.227  -5.360
   19    HA   ARG   3           HA       ARG   3   4.884  -2.699  -6.622
   20    HB2  ARG   3           HB2      ARG   3   5.766  -2.687  -3.844
   21    HB3  ARG   3           HB1      ARG   3   4.787  -1.227  -4.346
   22    HG2  ARG   3           HG2      ARG   3   3.116  -2.837  -3.860
   23    HG3  ARG   3           HG1      ARG   3   3.355  -2.880  -5.662
   24    HD2  ARG   3           HD2      ARG   3   4.502  -4.946  -5.612
   25    HD3  ARG   3           HD1      ARG   3   4.848  -4.850  -3.824
   26    HE   ARG   3           HE       ARG   3   2.008  -4.834  -4.149
   27   HH11  ARG   3          HH11      ARG   3   4.821  -6.925  -4.781
   28   HH12  ARG   3          HH12      ARG   3   3.956  -8.412  -4.574
   29   HH21  ARG   3          HH21      ARG   3   0.831  -6.856  -3.868
   30   HH22  ARG   3          HH22      ARG   3   1.649  -8.371  -4.047
   31    H    ILE   4           HN       ILE   4   4.723  -1.215  -7.750
   32    HA   ILE   4           HA       ILE   4   6.782   0.046  -8.774
   33    HB   ILE   4           HB       ILE   4   4.174   1.319  -8.733
   34   HG12  ILE   4          HG12      ILE   4   3.414  -0.939  -8.814
   35   HG13  ILE   4          HG11      ILE   4   3.585  -0.523 -10.563
   36   HG21  ILE   4          HG21      ILE   4   5.897   2.379 -10.059
   37   HG22  ILE   4          HG22      ILE   4   4.766   1.562 -11.211
   38   HG23  ILE   4          HG23      ILE   4   6.361   0.809 -10.825
   39   HD11  ILE   4          HD11      ILE   4   4.985  -2.619  -8.957
   40   HD12  ILE   4          HD12      ILE   4   6.179  -1.547  -9.791
   41   HD13  ILE   4          HD13      ILE   4   4.916  -2.410 -10.759
   42    H    SER   5           HN       SER   5   5.572   0.507  -5.879
   43    HA   SER   5           HA       SER   5   5.876   3.244  -5.771
   44    HB2  SER   5           HB2      SER   5   5.135   1.153  -3.774
   45    HB3  SER   5           HB1      SER   5   5.203   2.923  -3.354
   46    HG   SER   5           HG       SER   5   3.465   3.303  -4.601
   47    H    ARG   6           HN       ARG   6   7.076   0.337  -4.751
   48    HA   ARG   6           HA       ARG   6   8.753   1.349  -2.734
   49    HB2  ARG   6           HB2      ARG   6   9.053  -0.880  -2.303
   50    HB3  ARG   6           HB1      ARG   6   7.537  -0.952  -3.306
   51    HG2  ARG   6           HG2      ARG   6   8.944  -1.119  -5.317
   52    HG3  ARG   6           HG1      ARG   6  10.374  -1.415  -4.248
   53    HD2  ARG   6           HD2      ARG   6   7.746  -2.884  -3.802
   54    HD3  ARG   6           HD1      ARG   6   8.971  -3.517  -4.971
   55    HE   ARG   6           HE       ARG   6  10.249  -2.875  -2.461
   56   HH11  ARG   6          HH11      ARG   6   8.046  -5.215  -4.006
   57   HH12  ARG   6          HH12      ARG   6   8.505  -6.547  -3.000
   58   HH21  ARG   6          HH21      ARG   6  10.873  -4.696  -1.092
   59   HH22  ARG   6          HH22      ARG   6  10.133  -6.246  -1.315
   60    H    ILE   7           HN       ILE   7   8.556   1.194  -6.030
   61    HA   ILE   7           HA       ILE   7  11.296   0.954  -6.527
   62    HB   ILE   7           HB       ILE   7   8.860   1.488  -8.135
   63   HG12  ILE   7          HG12      ILE   7  10.695  -0.914  -8.090
   64   HG13  ILE   7          HG11      ILE   7   9.315  -0.682  -6.946
   65   HG21  ILE   7          HG21      ILE   7  11.803   1.252  -9.007
   66   HG22  ILE   7          HG22      ILE   7  10.660   2.612  -9.324
   67   HG23  ILE   7          HG23      ILE   7  10.422   1.021 -10.142
   68   HD11  ILE   7          HD11      ILE   7   8.355  -0.023  -9.593
   69   HD12  ILE   7          HD12      ILE   7   7.852  -1.382  -8.522
   70   HD13  ILE   7          HD13      ILE   7   9.199  -1.615  -9.713
   71    H    ILE   8           HN       ILE   8   8.869   3.230  -6.084
   72    HA   ILE   8           HA       ILE   8  10.381   5.363  -7.286
   73    HB   ILE   8           HB       ILE   8   8.332   5.543  -5.131
   74   HG12  ILE   8          HG12      ILE   8   7.313   4.030  -6.509
   75   HG13  ILE   8          HG11      ILE   8   6.595   5.597  -7.038
   76   HG21  ILE   8          HG21      ILE   8   8.148   7.797  -5.770
   77   HG22  ILE   8          HG22      ILE   8   8.374   7.429  -7.523
   78   HG23  ILE   8          HG23      ILE   8   9.805   7.498  -6.422
   79   HD11  ILE   8          HD11      ILE   8   7.080   4.385  -9.049
   80   HD12  ILE   8          HD12      ILE   8   8.675   3.819  -8.411
   81   HD13  ILE   8          HD13      ILE   8   8.462   5.552  -8.896
   82    H    LEU   9           HN       LEU   9   9.569   3.960  -4.389
   83    HA   LEU   9           HA       LEU   9  10.899   5.502  -2.636
   84    HB2  LEU   9           HB2      LEU   9   9.758   2.939  -3.026
   85    HB3  LEU   9           HB1      LEU   9  11.110   2.913  -1.841
   86    HG   LEU   9           HG       LEU   9   9.065   5.052  -1.423
   87   HD11  LEU   9          HD11      LEU   9   7.402   3.473  -0.409
   88   HD12  LEU   9          HD12      LEU   9   8.376   2.076  -1.009
   89   HD13  LEU   9          HD13      LEU   9   7.595   3.199  -2.179
   90   HD21  LEU   9          HD21      LEU   9   9.820   4.864   0.743
   91   HD22  LEU   9          HD22      LEU   9  11.189   3.968  -0.038
   92   HD23  LEU   9          HD23      LEU   9   9.809   3.057   0.703
   93    H    ASP  10           HN       ASP  10  11.846   3.049  -4.760
   94    HA   ASP  10           HA       ASP  10  14.261   2.757  -3.407
   95    HB2  ASP  10           HB2      ASP  10  12.891   2.051  -5.896
   96    HB3  ASP  10           HB1      ASP  10  14.668   2.132  -6.095
   97    H    PHE  11           HN       PHE  11  12.813   4.850  -5.777
   98    HA   PHE  11           HA       PHE  11  15.350   5.957  -6.548
   99    HB2  PHE  11           HB2      PHE  11  12.487   6.579  -7.222
  100    HB3  PHE  11           HB1      PHE  11  13.924   7.291  -8.105
  101    HD1  PHE  11           HD1      PHE  11  11.941   5.798  -9.607
  102    HD2  PHE  11           HD2      PHE  11  15.207   4.414  -7.337
  103    HE1  PHE  11           HE1      PHE  11  11.897   3.655 -10.711
  104    HE2  PHE  11           HE2      PHE  11  15.146   2.402  -8.261
  105    HZ   PHE  11           HZ       PHE  11  13.528   1.881 -10.122
  106    H    LEU  12           HN       LEU  12  13.301   6.128  -4.153
  107    HA   LEU  12           HA       LEU  12  13.445   8.895  -3.912
  108    HB2  LEU  12           HB2      LEU  12  12.283   6.606  -2.516
  109    HB3  LEU  12           HB1      LEU  12  12.281   8.231  -1.709
  110    HG   LEU  12           HG       LEU  12  11.275   7.589  -4.431
  111   HD11  LEU  12          HD11      LEU  12   9.098   8.253  -2.675
  112   HD12  LEU  12          HD12      LEU  12  10.142   7.008  -1.875
  113   HD13  LEU  12          HD13      LEU  12   9.461   6.689  -3.509
  114   HD21  LEU  12          HD21      LEU  12  11.495   9.809  -4.685
  115   HD22  LEU  12          HD22      LEU  12  11.649  10.085  -2.909
  116   HD23  LEU  12          HD23      LEU  12  10.010   9.930  -3.661
  117    H    PHE  13           HN       PHE  13  14.540   5.949  -2.553
  118    HA   PHE  13           HA       PHE  13  16.307   7.517  -0.806
  119    HB2  PHE  13           HB2      PHE  13  14.932   4.919  -0.168
  120    HB3  PHE  13           HB1      PHE  13  15.807   5.991   1.021
  121    HD1  PHE  13           HD1      PHE  13  13.034   5.063  -0.687
  122    HD2  PHE  13           HD2      PHE  13  14.638   8.258   1.475
  123    HE1  PHE  13           HE1      PHE  13  10.991   5.946  -0.661
  124    HE2  PHE  13           HE2      PHE  13  12.404   9.230   1.633
  125    HZ   PHE  13           HZ       PHE  13  10.480   8.074   0.583
  126    H    DLE  14           HN       DLE  14  15.630   4.702  -2.776
  127    HA   DLE  14           HA       DLE  14  18.263   3.893  -2.081
  128    HB2  DLE  14           HB2      DLE  14  17.686   4.575  -4.619
  129    HB3  DLE  14           HB1      DLE  14  19.010   3.462  -4.123
  130    HG   DLE  14           HG       DLE  14  16.282   2.309  -4.498
  131   HD11  DLE  14          HD11      DLE  14  16.669   4.080  -6.290
  132   HD12  DLE  14          HD12      DLE  14  16.350   2.400  -6.876
  133   HD13  DLE  14          HD13      DLE  14  18.028   3.051  -6.895
  134   HD21  DLE  14          HD21      DLE  14  17.427   0.387  -4.589
  135   HD22  DLE  14          HD22      DLE  14  18.877   1.329  -4.086
  136   HD23  DLE  14          HD23      DLE  14  18.568   1.014  -5.845
  137    H    ARG  15           HN       ARG  15  15.487   3.544  -1.168
  138    HA   ARG  15           HA       ARG  15  14.781   1.996   0.254
  139    HB2  ARG  15           HB2      ARG  15  14.945   0.548  -2.380
  140    HB3  ARG  15           HB1      ARG  15  14.235  -0.247  -0.925
  141    HG2  ARG  15           HG2      ARG  15  13.392   2.590  -1.581
  142    HG3  ARG  15           HG1      ARG  15  12.717   1.242  -2.587
  143    HD2  ARG  15           HD2      ARG  15  12.744   1.091   0.486
  144    HD3  ARG  15           HD1      ARG  15  11.396   1.920  -0.406
  145    HE   ARG  15           HE       ARG  15  11.750  -0.552  -1.697
  146   HH11  ARG  15          HH11      ARG  15  11.011   0.657   1.573
  147   HH12  ARG  15          HH12      ARG  15  10.039  -0.700   2.034
  148   HH21  ARG  15          HH21      ARG  15  10.417  -2.414  -1.064
  149   HH22  ARG  15          HH22      ARG  15   9.697  -2.473   0.509
  150    H    LYS  16           HN       LYS  16  17.350   2.561   0.045
  151    HA   LYS  16           HA       LYS  16  18.792   0.134   0.763
  152    HB2  LYS  16           HB2      LYS  16  20.830   1.244   0.006
  153    HB3  LYS  16           HB1      LYS  16  19.599   1.452  -1.297
  154    HG2  LYS  16           HG2      LYS  16  19.022   3.716  -0.318
  155    HG3  LYS  16           HG1      LYS  16  20.394   3.527   0.831
  156    HD2  LYS  16           HD2      LYS  16  21.998   3.861  -0.814
  157    HD3  LYS  16           HD1      LYS  16  21.011   3.086  -2.101
  158    HE2  LYS  16           HE2      LYS  16  19.635   5.110  -2.382
  159    HE3  LYS  16           HE1      LYS  16  20.363   5.872  -0.909
  160    HZ1  LYS  16           HZ1      LYS  16  22.196   5.005  -3.017
  161    HZ2  LYS  16           HZ2      LYS  16  22.241   6.367  -2.003
  162    HZ3  LYS  16           HZ3      LYS  16  21.204   6.342  -3.348
  163    H    LYS  17           HN       LYS  17  17.007   2.501   2.063
  164    HA   LYS  17           HA       LYS  17  18.854   2.710   4.286
  165    HB2  LYS  17           HB2      LYS  17  17.134   4.971   3.144
  166    HB3  LYS  17           HB1      LYS  17  18.055   5.067   4.692
  167    HG2  LYS  17           HG2      LYS  17  20.183   4.656   3.438
  168    HG3  LYS  17           HG1      LYS  17  19.252   4.585   1.903
  169    HD2  LYS  17           HD2      LYS  17  18.494   6.948   2.248
  170    HD3  LYS  17           HD1      LYS  17  19.406   7.020   3.796
  171    HE2  LYS  17           HE2      LYS  17  21.560   6.665   2.553
  172    HE3  LYS  17           HE1      LYS  17  20.641   6.580   0.992
  173    HZ1  LYS  17           HZ1      LYS  17  21.665   8.802   2.093
  174    HZ2  LYS  17           HZ2      LYS  17  20.050   8.895   2.611
  175    HZ3  LYS  17           HZ3      LYS  17  20.404   8.761   0.956
  Start of MODEL   10
    1    H1   GLU   1           HT1      GLU   1   7.248  -7.815  -5.564
    2    H2   GLU   1           HT2      GLU   1   7.283  -9.200  -4.580
    3    H3   GLU   1           HT3      GLU   1   8.054  -7.776  -4.068
    4    HA   GLU   1           HA       GLU   1   5.288  -8.547  -3.945
    5    HB2  GLU   1           HB2      GLU   1   6.743  -8.172  -1.929
    6    HB3  GLU   1           HB1      GLU   1   7.008  -6.475  -2.457
    7    HG2  GLU   1           HG2      GLU   1   5.309  -6.506  -0.666
    8    HG3  GLU   1           HG1      GLU   1   4.504  -6.045  -2.215
    9    H    MET   2           HN       MET   2   7.231  -5.717  -5.036
   10    HA   MET   2           HA       MET   2   4.757  -4.657  -6.201
   11    HB2  MET   2           HB2      MET   2   6.526  -3.205  -4.229
   12    HB3  MET   2           HB1      MET   2   6.092  -2.301  -5.738
   13    HG2  MET   2           HG2      MET   2   3.830  -2.243  -5.251
   14    HG3  MET   2           HG1      MET   2   3.864  -3.728  -4.239
   15    HE1  MET   2           HE1      MET   2   3.938  -3.808  -1.763
   16    HE2  MET   2           HE2      MET   2   5.063  -2.777  -0.815
   17    HE3  MET   2           HE3      MET   2   5.684  -3.755  -2.189
   18    H    ARG   3           HN       ARG   3   5.209  -2.879  -7.428
   19    HA   ARG   3           HA       ARG   3   7.288  -3.445  -9.268
   20    HB2  ARG   3           HB2      ARG   3   4.444  -2.682  -9.356
   21    HB3  ARG   3           HB1      ARG   3   5.441  -1.638 -10.401
   22    HG2  ARG   3           HG2      ARG   3   6.262  -3.386 -11.630
   23    HG3  ARG   3           HG1      ARG   3   5.734  -4.621 -10.416
   24    HD2  ARG   3           HD2      ARG   3   3.310  -3.944 -10.922
   25    HD3  ARG   3           HD1      ARG   3   3.949  -2.937 -12.291
   26    HE   ARG   3           HE       ARG   3   3.873  -5.916 -12.160
   27   HH11  ARG   3          HH11      ARG   3   5.097  -2.956 -13.731
   28   HH12  ARG   3          HH12      ARG   3   5.490  -3.732 -15.228
   29   HH21  ARG   3          HH21      ARG   3   4.411  -6.964 -14.195
   30   HH22  ARG   3          HH22      ARG   3   5.094  -6.047 -15.495
   31    H    ILE   4           HN       ILE   4   6.824  -0.977 -10.445
   32    HA   ILE   4           HA       ILE   4   8.686   0.567  -9.930
   33    HB   ILE   4           HB       ILE   4   6.866   2.462 -10.195
   34   HG12  ILE   4          HG12      ILE   4   4.842   1.597 -11.257
   35   HG13  ILE   4          HG11      ILE   4   5.470  -0.081 -11.217
   36   HG21  ILE   4          HG21      ILE   4   8.626   1.900 -11.847
   37   HG22  ILE   4          HG22      ILE   4   7.030   1.982 -12.688
   38   HG23  ILE   4          HG23      ILE   4   7.760   0.378 -12.291
   39   HD11  ILE   4          HD11      ILE   4   5.013   1.522  -8.631
   40   HD12  ILE   4          HD12      ILE   4   5.162  -0.275  -8.800
   41   HD13  ILE   4          HD13      ILE   4   3.686   0.582  -9.405
   42    H    SER   5           HN       SER   5   6.337  -0.010  -7.633
   43    HA   SER   5           HA       SER   5   6.206   2.317  -6.228
   44    HB2  SER   5           HB2      SER   5   6.194  -0.541  -5.382
   45    HB3  SER   5           HB1      SER   5   5.702   0.818  -4.288
   46    HG   SER   5           HG       SER   5   3.810   0.585  -5.123
   47    H    ARG   6           HN       ARG   6   8.176  -0.401  -6.386
   48    HA   ARG   6           HA       ARG   6   9.678  -0.029  -4.059
   49    HB2  ARG   6           HB2      ARG   6  10.802  -1.968  -4.883
   50    HB3  ARG   6           HB1      ARG   6   9.071  -2.128  -5.411
   51    HG2  ARG   6           HG2      ARG   6   9.780  -0.822  -7.498
   52    HG3  ARG   6           HG1      ARG   6  11.476  -1.306  -7.045
   53    HD2  ARG   6           HD2      ARG   6   9.110  -3.225  -7.281
   54    HD3  ARG   6           HD1      ARG   6  10.326  -2.926  -8.608
   55    HE   ARG   6           HE       ARG   6  11.689  -3.557  -6.128
   56   HH11  ARG   6          HH11      ARG   6   9.688  -5.006  -8.695
   57   HH12  ARG   6          HH12      ARG   6  10.377  -6.589  -8.555
   58   HH21  ARG   6          HH21      ARG   6  12.625  -5.715  -5.935
   59   HH22  ARG   6          HH22      ARG   6  12.074  -6.999  -6.958
   60    H    ILE   7           HN       ILE   7   9.438   1.187  -7.211
   61    HA   ILE   7           HA       ILE   7  12.165   1.870  -7.290
   62    HB   ILE   7           HB       ILE   7   9.925   2.042  -9.220
   63   HG12  ILE   7          HG12      ILE   7  12.551   0.577  -9.531
   64   HG13  ILE   7          HG11      ILE   7  11.399   0.015  -8.273
   65   HG21  ILE   7          HG21      ILE   7  12.816   3.089  -9.449
   66   HG22  ILE   7          HG22      ILE   7  11.287   4.036  -9.618
   67   HG23  ILE   7          HG23      ILE   7  11.736   2.811 -10.868
   68   HD11  ILE   7          HD11      ILE   7   9.869  -0.769  -9.778
   69   HD12  ILE   7          HD12      ILE   7  11.331  -0.893 -10.850
   70   HD13  ILE   7          HD13      ILE   7  10.216   0.526 -10.994
   71    H    ILE   8           HN       ILE   8   9.188   3.058  -6.499
   72    HA   ILE   8           HA       ILE   8  10.008   5.810  -6.760
   73    HB   ILE   8           HB       ILE   8   8.003   4.694  -4.861
   74   HG12  ILE   8          HG12      ILE   8   7.363   3.598  -6.751
   75   HG13  ILE   8          HG11      ILE   8   6.297   5.043  -6.781
   76   HG21  ILE   8          HG21      ILE   8   7.259   6.902  -4.651
   77   HG22  ILE   8          HG22      ILE   8   7.480   7.255  -6.407
   78   HG23  ILE   8          HG23      ILE   8   8.900   7.293  -5.292
   79   HD11  ILE   8          HD11      ILE   8   8.836   4.506  -8.436
   80   HD12  ILE   8          HD12      ILE   8   7.998   6.110  -8.394
   81   HD13  ILE   8          HD13      ILE   8   7.142   4.653  -9.038
   82    H    LEU   9           HN       LEU   9   9.678   3.302  -4.637
   83    HA   LEU   9           HA       LEU   9  10.490   4.391  -2.312
   84    HB2  LEU   9           HB2      LEU   9  10.184   1.945  -3.726
   85    HB3  LEU   9           HB1      LEU   9  11.462   1.859  -2.469
   86    HG   LEU   9           HG       LEU   9   8.723   2.933  -1.741
   87   HD11  LEU   9          HD11      LEU   9   9.452  -0.032  -2.163
   88   HD12  LEU   9          HD12      LEU   9   8.126   0.894  -2.951
   89   HD13  LEU   9          HD13      LEU   9   8.036   0.522  -1.190
   90   HD21  LEU   9          HD21      LEU   9  10.160   1.016   0.033
   91   HD22  LEU   9          HD22      LEU   9   9.526   2.671   0.381
   92   HD23  LEU   9          HD23      LEU   9  11.145   2.467  -0.417
   93    H    ASP  10           HN       ASP  10  12.131   3.287  -5.064
   94    HA   ASP  10           HA       ASP  10  14.517   3.326  -3.601
   95    HB2  ASP  10           HB2      ASP  10  13.497   3.084  -6.323
   96    HB3  ASP  10           HB1      ASP  10  15.155   3.780  -6.249
   97    H    PHE  11           HN       PHE  11  12.439   5.531  -5.307
   98    HA   PHE  11           HA       PHE  11  14.485   7.535  -5.419
   99    HB2  PHE  11           HB2      PHE  11  11.551   7.485  -6.057
  100    HB3  PHE  11           HB1      PHE  11  12.670   8.866  -6.500
  101    HD1  PHE  11           HD1      PHE  11  11.236   7.521  -8.618
  102    HD2  PHE  11           HD2      PHE  11  14.819   6.394  -6.672
  103    HE1  PHE  11           HE1      PHE  11  11.834   6.026 -10.413
  104    HE2  PHE  11           HE2      PHE  11  15.347   4.952  -8.263
  105    HZ   PHE  11           HZ       PHE  11  13.938   4.717 -10.336
  106    H    LEU  12           HN       LEU  12  12.611   6.198  -3.279
  107    HA   LEU  12           HA       LEU  12  11.970   8.592  -2.004
  108    HB2  LEU  12           HB2      LEU  12  11.524   5.720  -1.653
  109    HB3  LEU  12           HB1      LEU  12  11.100   6.872  -0.317
  110    HG   LEU  12           HG       LEU  12  10.248   7.061  -3.154
  111   HD11  LEU  12          HD11      LEU  12   9.401   5.258  -1.109
  112   HD12  LEU  12          HD12      LEU  12   8.798   5.413  -2.797
  113   HD13  LEU  12          HD13      LEU  12   8.022   6.374  -1.469
  114   HD21  LEU  12          HD21      LEU  12   9.985   8.789  -0.796
  115   HD22  LEU  12          HD22      LEU  12   8.400   8.474  -1.613
  116   HD23  LEU  12          HD23      LEU  12   9.786   9.168  -2.548
  117    H    PHE  13           HN       PHE  13  13.909   5.737  -1.814
  118    HA   PHE  13           HA       PHE  13  15.318   6.985   0.454
  119    HB2  PHE  13           HB2      PHE  13  14.639   4.064   0.152
  120    HB3  PHE  13           HB1      PHE  13  15.324   4.862   1.641
  121    HD1  PHE  13           HD1      PHE  13  12.748   4.007  -0.405
  122    HD2  PHE  13           HD2      PHE  13  13.684   6.382   2.897
  123    HE1  PHE  13           HE1      PHE  13  10.579   4.299  -0.130
  124    HE2  PHE  13           HE2      PHE  13  11.296   6.662   3.327
  125    HZ   PHE  13           HZ       PHE  13   9.640   5.588   1.823
  126    H    DLE  14           HN       DLE  14  15.232   4.938  -2.426
  127    HA   DLE  14           HA       DLE  14  18.087   4.720  -2.118
  128    HB2  DLE  14           HB2      DLE  14  18.307   3.979  -4.424
  129    HB3  DLE  14           HB1      DLE  14  16.524   4.245  -4.622
  130    HG   DLE  14           HG       DLE  14  16.939   6.516  -3.696
  131   HD11  DLE  14          HD11      DLE  14  19.036   7.239  -3.228
  132   HD12  DLE  14          HD12      DLE  14  19.758   6.447  -4.685
  133   HD13  DLE  14          HD13      DLE  14  19.409   5.468  -3.188
  134   HD21  DLE  14          HD21      DLE  14  18.270   6.550  -6.351
  135   HD22  DLE  14          HD22      DLE  14  16.686   7.246  -5.806
  136   HD23  DLE  14          HD23      DLE  14  16.799   5.499  -6.246
  137    H    ARG  15           HN       ARG  15  15.689   3.409  -1.134
  138    HA   ARG  15           HA       ARG  15  15.468   1.454  -0.324
  139    HB2  ARG  15           HB2      ARG  15  15.844   0.872  -3.264
  140    HB3  ARG  15           HB1      ARG  15  15.291  -0.410  -2.107
  141    HG2  ARG  15           HG2      ARG  15  13.947   2.304  -1.954
  142    HG3  ARG  15           HG1      ARG  15  13.548   1.255  -3.377
  143    HD2  ARG  15           HD2      ARG  15  13.632   0.004  -0.586
  144    HD3  ARG  15           HD1      ARG  15  12.182   0.976  -1.075
  145    HE   ARG  15           HE       ARG  15  12.689  -0.707  -3.256
  146   HH11  ARG  15          HH11      ARG  15  12.058  -1.059   0.234
  147   HH12  ARG  15          HH12      ARG  15  11.294  -2.608   0.104
  148   HH21  ARG  15          HH21      ARG  15  11.651  -2.829  -3.433
  149   HH22  ARG  15          HH22      ARG  15  11.059  -3.630  -2.017
  150    H    LYS  16           HN       LYS  16  17.831   2.668  -0.371
  151    HA   LYS  16           HA       LYS  16  19.895   0.653  -0.539
  152    HB2  LYS  16           HB2      LYS  16  21.458   2.621  -0.401
  153    HB3  LYS  16           HB1      LYS  16  20.342   2.706  -1.823
  154    HG2  LYS  16           HG2      LYS  16  18.839   4.187  -0.618
  155    HG3  LYS  16           HG1      LYS  16  19.829   4.093   0.867
  156    HD2  LYS  16           HD2      LYS  16  21.651   5.305  -0.165
  157    HD3  LYS  16           HD1      LYS  16  20.947   5.116  -1.809
  158    HE2  LYS  16           HE2      LYS  16  19.037   6.603  -1.213
  159    HE3  LYS  16           HE1      LYS  16  19.650   6.739   0.489
  160    HZ1  LYS  16           HZ1      LYS  16  21.510   7.916  -0.228
  161    HZ2  LYS  16           HZ2      LYS  16  20.224   8.569  -1.124
  162    HZ3  LYS  16           HZ3      LYS  16  21.307   7.487  -1.858
  163    H    LYS  17           HN       LYS  17  17.846   2.522   1.467
  164    HA   LYS  17           HA       LYS  17  19.227   1.483   3.753
  165    HB2  LYS  17           HB2      LYS  17  18.459   4.430   3.421
  166    HB3  LYS  17           HB1      LYS  17  19.000   3.686   4.971
  167    HG2  LYS  17           HG2      LYS  17  20.695   3.639   2.405
  168    HG3  LYS  17           HG1      LYS  17  20.796   4.964   3.624
  169    HD2  LYS  17           HD2      LYS  17  21.370   3.227   5.383
  170    HD3  LYS  17           HD1      LYS  17  21.348   1.965   4.104
  171    HE2  LYS  17           HE2      LYS  17  23.212   3.144   2.898
  172    HE3  LYS  17           HE1      LYS  17  23.232   4.420   4.188
  173    HZ1  LYS  17           HZ1      LYS  17  23.351   1.991   5.488
  174    HZ2  LYS  17           HZ2      LYS  17  24.598   3.121   5.268
  175    HZ3  LYS  17           HZ3      LYS  17  24.406   1.844   4.166
  Start of MODEL   11
    1    H1   GLU   1           HT1      GLU   1   7.466  -7.479  -2.391
    2    H2   GLU   1           HT2      GLU   1   5.885  -7.767  -1.841
    3    H3   GLU   1           HT3      GLU   1   6.298  -6.248  -2.478
    4    HA   GLU   1           HA       GLU   1   6.966  -8.071  -4.414
    5    HB2  GLU   1           HB2      GLU   1   4.226  -8.584  -3.127
    6    HB3  GLU   1           HB1      GLU   1   4.620  -9.095  -4.808
    7    HG2  GLU   1           HG2      GLU   1   6.428 -10.583  -4.001
    8    HG3  GLU   1           HG1      GLU   1   6.202  -9.995  -2.306
    9    H    MET   2           HN       MET   2   7.219  -5.558  -4.767
   10    HA   MET   2           HA       MET   2   4.759  -4.688  -6.145
   11    HB2  MET   2           HB2      MET   2   6.425  -3.149  -4.162
   12    HB3  MET   2           HB1      MET   2   6.057  -2.288  -5.710
   13    HG2  MET   2           HG2      MET   2   4.297  -1.670  -4.271
   14    HG3  MET   2           HG1      MET   2   3.592  -2.929  -5.330
   15    HE1  MET   2           HE1      MET   2   5.832  -2.883  -1.923
   16    HE2  MET   2           HE2      MET   2   4.416  -2.897  -0.815
   17    HE3  MET   2           HE3      MET   2   4.574  -1.605  -2.055
   18    H    ARG   3           HN       ARG   3   5.208  -2.902  -7.395
   19    HA   ARG   3           HA       ARG   3   7.312  -3.477  -9.201
   20    HB2  ARG   3           HB2      ARG   3   4.467  -2.730  -9.317
   21    HB3  ARG   3           HB1      ARG   3   5.464  -1.689 -10.364
   22    HG2  ARG   3           HG2      ARG   3   6.335  -3.461 -11.547
   23    HG3  ARG   3           HG1      ARG   3   5.734  -4.679 -10.346
   24    HD2  ARG   3           HD2      ARG   3   3.388  -4.198 -10.981
   25    HD3  ARG   3           HD1      ARG   3   3.939  -2.872 -12.096
   26    HE   ARG   3           HE       ARG   3   5.305  -5.232 -12.906
   27   HH11  ARG   3          HH11      ARG   3   1.972  -4.022 -12.571
   28   HH12  ARG   3          HH12      ARG   3   1.333  -4.967 -13.874
   29   HH21  ARG   3          HH21      ARG   3   4.437  -6.518 -14.679
   30   HH22  ARG   3          HH22      ARG   3   2.760  -6.411 -15.093
   31    H    ILE   4           HN       ILE   4   6.847  -1.025 -10.411
   32    HA   ILE   4           HA       ILE   4   8.702   0.529  -9.905
   33    HB   ILE   4           HB       ILE   4   6.879   2.418 -10.203
   34   HG12  ILE   4          HG12      ILE   4   4.863   1.534 -11.266
   35   HG13  ILE   4          HG11      ILE   4   5.496  -0.141 -11.203
   36   HG21  ILE   4          HG21      ILE   4   7.795   0.311 -12.266
   37   HG22  ILE   4          HG22      ILE   4   8.648   1.846 -11.839
   38   HG23  ILE   4          HG23      ILE   4   7.057   1.905 -12.690
   39   HD11  ILE   4          HD11      ILE   4   5.028   1.490  -8.637
   40   HD12  ILE   4          HD12      ILE   4   5.173  -0.308  -8.789
   41   HD13  ILE   4          HD13      ILE   4   3.700   0.547  -9.407
   42    H    SER   5           HN       SER   5   6.350  -0.026  -7.609
   43    HA   SER   5           HA       SER   5   6.208   2.318  -6.233
   44    HB2  SER   5           HB2      SER   5   6.214  -0.529  -5.347
   45    HB3  SER   5           HB1      SER   5   5.716   0.842  -4.270
   46    HG   SER   5           HG       SER   5   3.933   1.142  -5.456
   47    H    ARG   6           HN       ARG   6   8.194  -0.392  -6.360
   48    HA   ARG   6           HA       ARG   6   9.699   0.012  -4.038
   49    HB2  ARG   6           HB2      ARG   6  10.830  -1.931  -4.846
   50    HB3  ARG   6           HB1      ARG   6   9.097  -2.104  -5.363
   51    HG2  ARG   6           HG2      ARG   6   9.793  -0.819  -7.468
   52    HG3  ARG   6           HG1      ARG   6  11.491  -1.295  -7.019
   53    HD2  ARG   6           HD2      ARG   6   9.127  -3.220  -7.227
   54    HD3  ARG   6           HD1      ARG   6  10.342  -2.934  -8.558
   55    HE   ARG   6           HE       ARG   6  11.705  -3.538  -6.069
   56   HH11  ARG   6          HH11      ARG   6   9.709  -5.014  -8.625
   57   HH12  ARG   6          HH12      ARG   6  10.399  -6.595  -8.468
   58   HH21  ARG   6          HH21      ARG   6  12.643  -5.694  -5.854
   59   HH22  ARG   6          HH22      ARG   6  12.094  -6.988  -6.864
   60    H    ILE   7           HN       ILE   7   9.447   1.193  -7.201
   61    HA   ILE   7           HA       ILE   7  12.169   1.890  -7.297
   62    HB   ILE   7           HB       ILE   7   9.926   2.022  -9.225
   63   HG12  ILE   7          HG12      ILE   7  12.560   0.570  -9.517
   64   HG13  ILE   7          HG11      ILE   7  11.411   0.017  -8.255
   65   HG21  ILE   7          HG21      ILE   7  12.812   3.077  -9.479
   66   HG22  ILE   7          HG22      ILE   7  11.282   4.022  -9.644
   67   HG23  ILE   7          HG23      ILE   7  11.720   2.787 -10.886
   68   HD11  ILE   7          HD11      ILE   7  11.350  -0.923 -10.821
   69   HD12  ILE   7          HD12      ILE   7  10.228   0.489 -10.981
   70   HD13  ILE   7          HD13      ILE   7   9.891  -0.799  -9.750
   71    H    ILE   8           HN       ILE   8   9.189   3.070  -6.509
   72    HA   ILE   8           HA       ILE   8  10.000   5.822  -6.807
   73    HB   ILE   8           HB       ILE   8   7.993   4.727  -4.898
   74   HG12  ILE   8          HG12      ILE   8   7.360   3.601  -6.773
   75   HG13  ILE   8          HG11      ILE   8   6.288   5.042  -6.825
   76   HG21  ILE   8          HG21      ILE   8   7.236   6.935  -4.728
   77   HG22  ILE   8          HG22      ILE   8   7.473   7.265  -6.486
   78   HG23  ILE   8          HG23      ILE   8   8.882   7.321  -5.358
   79   HD11  ILE   8          HD11      ILE   8   7.136   4.627  -9.076
   80   HD12  ILE   8          HD12      ILE   8   8.832   4.487  -8.470
   81   HD13  ILE   8          HD13      ILE   8   7.991   6.091  -8.451
   82    H    LEU   9           HN       LEU   9   9.670   3.341  -4.654
   83    HA   LEU   9           HA       LEU   9  10.474   4.456  -2.339
   84    HB2  LEU   9           HB2      LEU   9  10.181   1.992  -3.730
   85    HB3  LEU   9           HB1      LEU   9  11.442   1.925  -2.457
   86    HG   LEU   9           HG       LEU   9   8.685   2.995  -1.788
   87   HD11  LEU   9          HD11      LEU   9   8.035   0.579  -1.180
   88   HD12  LEU   9          HD12      LEU   9   9.459   0.036  -2.149
   89   HD13  LEU   9          HD13      LEU   9   8.116   0.926  -2.948
   90   HD21  LEU   9          HD21      LEU   9   9.468   2.806   0.347
   91   HD22  LEU   9          HD22      LEU   9  11.097   2.577  -0.420
   92   HD23  LEU   9          HD23      LEU   9  10.104   1.139   0.057
   93    H    ASP  10           HN       ASP  10  12.113   3.320  -5.074
   94    HA   ASP  10           HA       ASP  10  14.503   3.355  -3.621
   95    HB2  ASP  10           HB2      ASP  10  13.468   3.148  -6.350
   96    HB3  ASP  10           HB1      ASP  10  15.144   3.793  -6.262
   97    H    PHE  11           HN       PHE  11  12.431   5.558  -5.346
   98    HA   PHE  11           HA       PHE  11  14.485   7.555  -5.472
   99    HB2  PHE  11           HB2      PHE  11  11.552   7.508  -6.120
  100    HB3  PHE  11           HB1      PHE  11  12.678   8.881  -6.571
  101    HD1  PHE  11           HD1      PHE  11  11.247   7.521  -8.682
  102    HD2  PHE  11           HD2      PHE  11  14.817   6.399  -6.712
  103    HE1  PHE  11           HE1      PHE  11  11.846   6.006 -10.460
  104    HE2  PHE  11           HE2      PHE  11  15.346   4.938  -8.286
  105    HZ   PHE  11           HZ       PHE  11  13.944   4.689 -10.362
  106    H    LEU  12           HN       LEU  12  12.596   6.248  -3.326
  107    HA   LEU  12           HA       LEU  12  11.963   8.659  -2.078
  108    HB2  LEU  12           HB2      LEU  12  11.510   5.791  -1.695
  109    HB3  LEU  12           HB1      LEU  12  11.085   6.961  -0.374
  110    HG   LEU  12           HG       LEU  12  10.241   7.120  -3.215
  111   HD11  LEU  12          HD11      LEU  12   9.381   5.342  -1.151
  112   HD12  LEU  12          HD12      LEU  12   8.786   5.480  -2.844
  113   HD13  LEU  12          HD13      LEU  12   8.008   6.458  -1.531
  114   HD21  LEU  12          HD21      LEU  12   8.392   8.556  -1.699
  115   HD22  LEU  12          HD22      LEU  12   9.787   9.236  -2.630
  116   HD23  LEU  12          HD23      LEU  12   9.970   8.869  -0.871
  117    H    PHE  13           HN       PHE  13  13.897   5.804  -1.853
  118    HA   PHE  13           HA       PHE  13  15.305   7.076   0.403
  119    HB2  PHE  13           HB2      PHE  13  14.614   4.153   0.128
  120    HB3  PHE  13           HB1      PHE  13  15.305   4.960   1.609
  121    HD1  PHE  13           HD1      PHE  13  12.724   4.101  -0.424
  122    HD2  PHE  13           HD2      PHE  13  13.675   6.497   2.858
  123    HE1  PHE  13           HE1      PHE  13  10.558   4.405  -0.150
  124    HE2  PHE  13           HE2      PHE  13  11.289   6.792   3.289
  125    HZ   PHE  13           HZ       PHE  13   9.627   5.713   1.795
  126    H    DLE  14           HN       DLE  14  15.218   4.975  -2.438
  127    HA   DLE  14           HA       DLE  14  18.075   4.763  -2.130
  128    HB2  DLE  14           HB2      DLE  14  18.282   3.976  -4.427
  129    HB3  DLE  14           HB1      DLE  14  16.501   4.248  -4.622
  130    HG   DLE  14           HG       DLE  14  16.943   6.536  -3.741
  131   HD11  DLE  14          HD11      DLE  14  19.748   6.392  -4.773
  132   HD12  DLE  14          HD12      DLE  14  19.402   5.484  -3.233
  133   HD13  DLE  14          HD13      DLE  14  19.057   7.262  -3.345
  134   HD21  DLE  14          HD21      DLE  14  18.236   6.474  -6.421
  135   HD22  DLE  14          HD22      DLE  14  16.688   7.237  -5.866
  136   HD23  DLE  14          HD23      DLE  14  16.734   5.477  -6.259
  137    H    ARG  15           HN       ARG  15  15.663   3.469  -1.134
  138    HA   ARG  15           HA       ARG  15  15.457   1.526  -0.281
  139    HB2  ARG  15           HB2      ARG  15  15.812   0.891  -3.212
  140    HB3  ARG  15           HB1      ARG  15  15.243  -0.358  -2.030
  141    HG2  ARG  15           HG2      ARG  15  13.935   2.378  -1.943
  142    HG3  ARG  15           HG1      ARG  15  13.523   1.297  -3.339
  143    HD2  ARG  15           HD2      ARG  15  13.593   0.107  -0.523
  144    HD3  ARG  15           HD1      ARG  15  12.163   1.104  -1.018
  145    HE   ARG  15           HE       ARG  15  12.610  -0.631  -3.172
  146   HH11  ARG  15          HH11      ARG  15  11.997  -0.899   0.329
  147   HH12  ARG  15          HH12      ARG  15  11.192  -2.430   0.235
  148   HH21  ARG  15          HH21      ARG  15  11.515  -2.728  -3.299
  149   HH22  ARG  15          HH22      ARG  15  10.913  -3.486  -1.863
  150    H    LYS  16           HN       LYS  16  17.811   2.734  -0.352
  151    HA   LYS  16           HA       LYS  16  19.878   0.722  -0.533
  152    HB2  LYS  16           HB2      LYS  16  21.453   2.658  -0.500
  153    HB3  LYS  16           HB1      LYS  16  20.266   2.777  -1.858
  154    HG2  LYS  16           HG2      LYS  16  18.849   4.274  -0.544
  155    HG3  LYS  16           HG1      LYS  16  19.954   4.160   0.868
  156    HD2  LYS  16           HD2      LYS  16  21.665   5.411  -0.227
  157    HD3  LYS  16           HD1      LYS  16  20.977   5.114  -1.862
  158    HE2  LYS  16           HE2      LYS  16  19.027   6.599  -1.349
  159    HE3  LYS  16           HE1      LYS  16  19.657   6.859   0.331
  160    HZ1  LYS  16           HZ1      LYS  16  20.188   8.589  -1.388
  161    HZ2  LYS  16           HZ2      LYS  16  21.263   7.477  -2.087
  162    HZ3  LYS  16           HZ3      LYS  16  21.501   7.999  -0.489
  163    H    LYS  17           HN       LYS  17  17.652   1.733   1.566
  164    HA   LYS  17           HA       LYS  17  19.589   1.774   3.730
  165    HB2  LYS  17           HB2      LYS  17  16.895   3.213   3.576
  166    HB3  LYS  17           HB1      LYS  17  17.986   3.207   5.011
  167    HG2  LYS  17           HG2      LYS  17  19.779   4.287   3.627
  168    HG3  LYS  17           HG1      LYS  17  18.657   4.313   2.221
  169    HD2  LYS  17           HD2      LYS  17  17.068   5.760   3.517
  170    HD3  LYS  17           HD1      LYS  17  18.183   5.730   4.926
  171    HE2  LYS  17           HE2      LYS  17  19.952   6.878   3.557
  172    HE3  LYS  17           HE1      LYS  17  18.824   6.905   2.139
  173    HZ1  LYS  17           HZ1      LYS  17  19.032   8.744   4.178
  174    HZ2  LYS  17           HZ2      LYS  17  17.562   7.940   4.453
  175    HZ3  LYS  17           HZ3      LYS  17  17.859   8.674   2.952
  Start of MODEL   12
    1    H1   GLU   1           HT1      GLU   1   6.009  -8.614  -9.271
    2    H2   GLU   1           HT2      GLU   1   5.774  -8.175  -7.646
    3    H3   GLU   1           HT3      GLU   1   6.096  -9.793  -8.052
    4    HA   GLU   1           HA       GLU   1   8.190  -9.391  -7.634
    5    HB2  GLU   1           HB2      GLU   1   8.166  -9.272 -10.156
    6    HB3  GLU   1           HB1      GLU   1   7.958  -7.489 -10.039
    7    HG2  GLU   1           HG2      GLU   1  10.186  -7.278  -8.906
    8    HG3  GLU   1           HG1      GLU   1  10.397  -9.073  -8.973
    9    H    MET   2           HN       MET   2   6.601  -6.215  -8.406
   10    HA   MET   2           HA       MET   2   7.630  -5.169  -5.921
   11    HB2  MET   2           HB2      MET   2   8.157  -2.860  -7.305
   12    HB3  MET   2           HB1      MET   2   9.477  -4.097  -6.984
   13    HG2  MET   2           HG2      MET   2   8.335  -5.100  -9.356
   14    HG3  MET   2           HG1      MET   2   8.190  -3.333  -9.563
   15    HE1  MET   2           HE1      MET   2   9.777  -3.281 -11.695
   16    HE2  MET   2           HE2      MET   2   9.515  -5.047 -11.483
   17    HE3  MET   2           HE3      MET   2  11.165  -4.418 -11.815
   18    H    ARG   3           HN       ARG   3   7.013  -3.350  -5.364
   19    HA   ARG   3           HA       ARG   3   4.660  -2.573  -6.662
   20    HB2  ARG   3           HB2      ARG   3   5.458  -2.667  -3.861
   21    HB3  ARG   3           HB1      ARG   3   4.663  -1.104  -4.384
   22    HG2  ARG   3           HG2      ARG   3   2.799  -2.506  -3.984
   23    HG3  ARG   3           HG1      ARG   3   3.113  -2.588  -5.773
   24    HD2  ARG   3           HD2      ARG   3   4.000  -4.772  -5.673
   25    HD3  ARG   3           HD1      ARG   3   4.290  -4.707  -3.872
   26    HE   ARG   3           HE       ARG   3   1.481  -4.358  -4.317
   27   HH11  ARG   3          HH11      ARG   3   4.058  -6.773  -4.774
   28   HH12  ARG   3          HH12      ARG   3   3.019  -8.145  -4.588
   29   HH21  ARG   3          HH21      ARG   3   0.066  -6.225  -4.063
   30   HH22  ARG   3          HH22      ARG   3   0.709  -7.828  -4.177
   31    H    ILE   4           HN       ILE   4   4.749  -1.157  -7.872
   32    HA   ILE   4           HA       ILE   4   6.958  -0.073  -8.766
   33    HB   ILE   4           HB       ILE   4   4.448   1.395  -8.923
   34   HG12  ILE   4          HG12      ILE   4   3.536  -0.799  -9.030
   35   HG13  ILE   4          HG11      ILE   4   3.844  -0.411 -10.769
   36   HG21  ILE   4          HG21      ILE   4   6.327   2.313 -10.135
   37   HG22  ILE   4          HG22      ILE   4   5.221   1.563 -11.353
   38   HG23  ILE   4          HG23      ILE   4   6.730   0.705 -10.856
   39   HD11  ILE   4          HD11      ILE   4   6.304  -1.612  -9.786
   40   HD12  ILE   4          HD12      ILE   4   5.078  -2.359 -10.893
   41   HD13  ILE   4          HD13      ILE   4   4.948  -2.600  -9.099
   42    H    SER   5           HN       SER   5   5.597   0.502  -5.994
   43    HA   SER   5           HA       SER   5   5.962   3.205  -5.837
   44    HB2  SER   5           HB2      SER   5   5.221   1.069  -3.900
   45    HB3  SER   5           HB1      SER   5   5.273   2.829  -3.430
   46    HG   SER   5           HG       SER   5   3.514   3.219  -4.600
   47    H    ARG   6           HN       ARG   6   7.176   0.288  -4.869
   48    HA   ARG   6           HA       ARG   6   8.828   1.242  -2.809
   49    HB2  ARG   6           HB2      ARG   6   9.176  -1.013  -2.486
   50    HB3  ARG   6           HB1      ARG   6   7.646  -1.060  -3.477
   51    HG2  ARG   6           HG2      ARG   6   9.015  -1.091  -5.504
   52    HG3  ARG   6           HG1      ARG   6  10.488  -1.379  -4.495
   53    HD2  ARG   6           HD2      ARG   6   7.931  -3.001  -4.161
   54    HD3  ARG   6           HD1      ARG   6   9.243  -3.492  -5.321
   55    HE   ARG   6           HE       ARG   6  10.349  -2.913  -2.698
   56   HH11  ARG   6          HH11      ARG   6   8.530  -5.339  -4.573
   57   HH12  ARG   6          HH12      ARG   6   9.047  -6.687  -3.619
   58   HH21  ARG   6          HH21      ARG   6  11.055  -4.756  -1.407
   59   HH22  ARG   6          HH22      ARG   6  10.501  -6.350  -1.791
   60    H    ILE   7           HN       ILE   7   8.663   1.198  -6.126
   61    HA   ILE   7           HA       ILE   7  11.418   1.023  -6.577
   62    HB   ILE   7           HB       ILE   7   9.013   1.481  -8.244
   63   HG12  ILE   7          HG12      ILE   7  10.927  -0.857  -8.187
   64   HG13  ILE   7          HG11      ILE   7   9.573  -0.669  -7.016
   65   HG21  ILE   7          HG21      ILE   7  10.643   1.073 -10.207
   66   HG22  ILE   7          HG22      ILE   7  11.985   1.345  -9.033
   67   HG23  ILE   7          HG23      ILE   7  10.806   2.669  -9.381
   68   HD11  ILE   7          HD11      ILE   7   9.424  -1.650  -9.738
   69   HD12  ILE   7          HD12      ILE   7   8.534  -0.076  -9.646
   70   HD13  ILE   7          HD13      ILE   7   8.095  -1.422  -8.529
   71    H    ILE   8           HN       ILE   8   8.944   3.228  -6.123
   72    HA   ILE   8           HA       ILE   8  10.422   5.413  -7.277
   73    HB   ILE   8           HB       ILE   8   8.353   5.520  -5.134
   74   HG12  ILE   8          HG12      ILE   8   7.381   4.011  -6.556
   75   HG13  ILE   8          HG11      ILE   8   6.629   5.572  -7.050
   76   HG21  ILE   8          HG21      ILE   8   8.139   7.782  -5.734
   77   HG22  ILE   8          HG22      ILE   8   8.379   7.449  -7.492
   78   HG23  ILE   8          HG23      ILE   8   9.804   7.521  -6.383
   79   HD11  ILE   8          HD11      ILE   8   7.164   4.380  -9.076
   80   HD12  ILE   8          HD12      ILE   8   8.793   3.910  -8.449
   81   HD13  ILE   8          HD13      ILE   8   8.465   5.632  -8.913
   82    H    LEU   9           HN       LEU   9   9.620   3.933  -4.417
   83    HA   LEU   9           HA       LEU   9  10.899   5.462  -2.617
   84    HB2  LEU   9           HB2      LEU   9   9.825   2.882  -3.077
   85    HB3  LEU   9           HB1      LEU   9  11.171   2.858  -1.886
   86    HG   LEU   9           HG       LEU   9   9.062   4.929  -1.426
   87   HD11  LEU   9          HD11      LEU   9   8.471   1.922  -1.076
   88   HD12  LEU   9          HD12      LEU   9   7.653   3.043  -2.222
   89   HD13  LEU   9          HD13      LEU   9   7.452   3.272  -0.444
   90   HD21  LEU   9          HD21      LEU   9   9.826   4.721   0.735
   91   HD22  LEU   9          HD22      LEU   9  11.218   3.874  -0.060
   92   HD23  LEU   9          HD23      LEU   9   9.861   2.915   0.660
   93    H    ASP  10           HN       ASP  10  11.921   3.086  -4.790
   94    HA   ASP  10           HA       ASP  10  14.334   2.819  -3.428
   95    HB2  ASP  10           HB2      ASP  10  12.997   2.145  -5.944
   96    HB3  ASP  10           HB1      ASP  10  14.774   2.267  -6.125
   97    H    PHE  11           HN       PHE  11  12.853   4.929  -5.759
   98    HA   PHE  11           HA       PHE  11  15.366   6.114  -6.488
   99    HB2  PHE  11           HB2      PHE  11  12.493   6.681  -7.168
  100    HB3  PHE  11           HB1      PHE  11  13.918   7.447  -8.026
  101    HD1  PHE  11           HD1      PHE  11  11.982   5.941  -9.572
  102    HD2  PHE  11           HD2      PHE  11  15.265   4.585  -7.312
  103    HE1  PHE  11           HE1      PHE  11  11.995   3.822 -10.724
  104    HE2  PHE  11           HE2      PHE  11  15.259   2.593  -8.281
  105    HZ   PHE  11           HZ       PHE  11  13.665   2.075 -10.163
  106    H    LEU  12           HN       LEU  12  13.300   6.181  -4.103
  107    HA   LEU  12           HA       LEU  12  13.373   8.944  -3.799
  108    HB2  LEU  12           HB2      LEU  12  12.257   6.597  -2.464
  109    HB3  LEU  12           HB1      LEU  12  12.211   8.202  -1.620
  110    HG   LEU  12           HG       LEU  12  11.238   7.598  -4.362
  111   HD11  LEU  12          HD11      LEU  12  10.103   6.934  -1.829
  112   HD12  LEU  12          HD12      LEU  12   9.441   6.633  -3.474
  113   HD13  LEU  12          HD13      LEU  12   9.036   8.171  -2.604
  114   HD21  LEU  12          HD21      LEU  12   9.912   9.891  -3.545
  115   HD22  LEU  12          HD22      LEU  12  11.405   9.827  -4.568
  116   HD23  LEU  12          HD23      LEU  12  11.544  10.068  -2.783
  117    H    PHE  13           HN       PHE  13  14.529   5.995  -2.501
  118    HA   PHE  13           HA       PHE  13  16.248   7.564  -0.705
  119    HB2  PHE  13           HB2      PHE  13  14.931   4.920  -0.134
  120    HB3  PHE  13           HB1      PHE  13  15.770   5.988   1.084
  121    HD1  PHE  13           HD1      PHE  13  13.032   5.029  -0.664
  122    HD2  PHE  13           HD2      PHE  13  14.543   8.216   1.576
  123    HE1  PHE  13           HE1      PHE  13  10.969   5.862  -0.633
  124    HE2  PHE  13           HE2      PHE  13  12.286   9.129   1.739
  125    HZ   PHE  13           HZ       PHE  13  10.397   7.949   0.650
  126    H    DLE  14           HN       DLE  14  15.649   4.777  -2.741
  127    HA   DLE  14           HA       DLE  14  18.295   4.012  -2.045
  128    HB2  DLE  14           HB2      DLE  14  17.724   4.742  -4.570
  129    HB3  DLE  14           HB1      DLE  14  19.068   3.647  -4.088
  130    HG   DLE  14           HG       DLE  14  16.368   2.444  -4.516
  131   HD11  DLE  14          HD11      DLE  14  18.118   3.282  -6.878
  132   HD12  DLE  14          HD12      DLE  14  16.728   4.265  -6.260
  133   HD13  DLE  14          HD13      DLE  14  16.455   2.594  -6.891
  134   HD21  DLE  14          HD21      DLE  14  18.984   1.511  -4.109
  135   HD22  DLE  14          HD22      DLE  14  18.691   1.232  -5.876
  136   HD23  DLE  14          HD23      DLE  14  17.556   0.551  -4.639
  137    H    ARG  15           HN       ARG  15  15.521   3.577  -1.163
  138    HA   ARG  15           HA       ARG  15  14.838   1.977   0.214
  139    HB2  ARG  15           HB2      ARG  15  15.059   0.602  -2.455
  140    HB3  ARG  15           HB1      ARG  15  14.357  -0.249  -1.027
  141    HG2  ARG  15           HG2      ARG  15  13.448   2.583  -1.611
  142    HG3  ARG  15           HG1      ARG  15  12.820   1.250  -2.667
  143    HD2  ARG  15           HD2      ARG  15  12.815   1.009   0.401
  144    HD3  ARG  15           HD1      ARG  15  11.454   1.823  -0.486
  145    HE   ARG  15           HE       ARG  15  11.902  -0.601  -1.840
  146   HH11  ARG  15          HH11      ARG  15  11.073   0.493   1.449
  147   HH12  ARG  15          HH12      ARG  15  10.140  -0.907   1.856
  148   HH21  ARG  15          HH21      ARG  15  10.624  -2.521  -1.280
  149   HH22  ARG  15          HH22      ARG  15   9.881  -2.649   0.278
  150    H    LYS  16           HN       LYS  16  17.394   2.605   0.043
  151    HA   LYS  16           HA       LYS  16  18.885   0.193   0.709
  152    HB2  LYS  16           HB2      LYS  16  20.906   1.374   0.007
  153    HB3  LYS  16           HB1      LYS  16  19.683   1.583  -1.304
  154    HG2  LYS  16           HG2      LYS  16  19.040   3.807  -0.280
  155    HG3  LYS  16           HG1      LYS  16  20.396   3.623   0.884
  156    HD2  LYS  16           HD2      LYS  16  22.017   4.038  -0.724
  157    HD3  LYS  16           HD1      LYS  16  21.072   3.270  -2.045
  158    HE2  LYS  16           HE2      LYS  16  19.647   5.263  -2.301
  159    HE3  LYS  16           HE1      LYS  16  20.333   6.009  -0.800
  160    HZ1  LYS  16           HZ1      LYS  16  22.209   5.237  -2.911
  161    HZ2  LYS  16           HZ2      LYS  16  22.224   6.563  -1.851
  162    HZ3  LYS  16           HZ3      LYS  16  21.198   6.570  -3.204
  163    H    LYS  17           HN       LYS  17  17.032   2.474   2.058
  164    HA   LYS  17           HA       LYS  17  18.855   2.671   4.302
  165    HB2  LYS  17           HB2      LYS  17  17.079   4.914   3.210
  166    HB3  LYS  17           HB1      LYS  17  17.988   4.992   4.766
  167    HG2  LYS  17           HG2      LYS  17  20.135   4.676   3.513
  168    HG3  LYS  17           HG1      LYS  17  19.213   4.622   1.972
  169    HD2  LYS  17           HD2      LYS  17  18.387   6.951   2.380
  170    HD3  LYS  17           HD1      LYS  17  19.289   7.006   3.933
  171    HE2  LYS  17           HE2      LYS  17  21.458   6.746   2.692
  172    HE3  LYS  17           HE1      LYS  17  20.548   6.681   1.125
  173    HZ1  LYS  17           HZ1      LYS  17  20.232   8.855   1.156
  174    HZ2  LYS  17           HZ2      LYS  17  21.509   8.896   2.275
  175    HZ3  LYS  17           HZ3      LYS  17  19.902   8.932   2.820
  Start of MODEL   13
    1    H1   GLU   1           HT1      GLU   1   6.866  -9.200 -10.170
    2    H2   GLU   1           HT2      GLU   1   7.069  -7.555  -9.805
    3    H3   GLU   1           HT3      GLU   1   5.557  -8.297  -9.575
    4    HA   GLU   1           HA       GLU   1   6.134  -9.292  -7.680
    5    HB2  GLU   1           HB2      GLU   1   8.464 -10.008  -7.107
    6    HB3  GLU   1           HB1      GLU   1   7.941 -10.657  -8.700
    7    HG2  GLU   1           HG2      GLU   1   9.192  -8.781  -9.861
    8    HG3  GLU   1           HG1      GLU   1   9.767  -8.197  -8.248
    9    H    MET   2           HN       MET   2   6.099  -6.347  -8.482
   10    HA   MET   2           HA       MET   2   7.154  -5.384  -5.951
   11    HB2  MET   2           HB2      MET   2   7.889  -3.138  -7.276
   12    HB3  MET   2           HB1      MET   2   9.087  -4.533  -7.114
   13    HG2  MET   2           HG2      MET   2   7.219  -4.634  -9.494
   14    HG3  MET   2           HG1      MET   2   8.477  -3.368  -9.501
   15    HE1  MET   2           HE1      MET   2  10.982  -3.808 -10.332
   16    HE2  MET   2           HE2      MET   2  11.821  -5.073  -9.371
   17    HE3  MET   2           HE3      MET   2  10.782  -3.860  -8.546
   18    H    ARG   3           HN       ARG   3   6.624  -3.583  -5.352
   19    HA   ARG   3           HA       ARG   3   4.507  -2.507  -6.821
   20    HB2  ARG   3           HB2      ARG   3   4.985  -2.779  -3.965
   21    HB3  ARG   3           HB1      ARG   3   4.413  -1.125  -4.503
   22    HG2  ARG   3           HG2      ARG   3   2.377  -2.319  -4.379
   23    HG3  ARG   3           HG1      ARG   3   2.895  -2.422  -6.120
   24    HD2  ARG   3           HD2      ARG   3   3.515  -4.684  -5.968
   25    HD3  ARG   3           HD1      ARG   3   3.630  -4.665  -4.146
   26    HE   ARG   3           HE       ARG   3   0.928  -4.025  -4.883
   27   HH11  ARG   3          HH11      ARG   3   3.284  -6.691  -5.040
   28   HH12  ARG   3          HH12      ARG   3   2.099  -7.950  -4.958
   29   HH21  ARG   3          HH21      ARG   3  -0.687  -5.735  -4.772
   30   HH22  ARG   3          HH22      ARG   3  -0.201  -7.396  -4.804
   31    H    ILE   4           HN       ILE   4   4.897  -1.153  -8.017
   32    HA   ILE   4           HA       ILE   4   7.267  -0.311  -8.669
   33    HB   ILE   4           HB       ILE   4   4.907   1.396  -9.011
   34   HG12  ILE   4          HG12      ILE   4   3.849  -0.693  -9.307
   35   HG13  ILE   4          HG11      ILE   4   4.369  -0.275 -10.987
   36   HG21  ILE   4          HG21      ILE   4   7.324   0.634 -10.735
   37   HG22  ILE   4          HG22      ILE   4   6.934   2.238  -9.997
   38   HG23  ILE   4          HG23      ILE   4   5.921   1.592 -11.349
   39   HD11  ILE   4          HD11      ILE   4   5.408  -2.331 -11.055
   40   HD12  ILE   4          HD12      ILE   4   5.132  -2.582  -9.279
   41   HD13  ILE   4          HD13      ILE   4   6.609  -1.697  -9.853
   42    H    SER   5           HN       SER   5   5.555   0.451  -6.138
   43    HA   SER   5           HA       SER   5   6.048   3.047  -5.747
   44    HB2  SER   5           HB2      SER   5   5.502   0.751  -3.930
   45    HB3  SER   5           HB1      SER   5   5.465   2.480  -3.351
   46    HG   SER   5           HG       SER   5   3.607   2.786  -4.327
   47    H    ARG   6           HN       ARG   6   7.368   0.130  -4.931
   48    HA   ARG   6           HA       ARG   6   9.056   0.972  -2.887
   49    HB2  ARG   6           HB2      ARG   6   9.498  -1.305  -2.814
   50    HB3  ARG   6           HB1      ARG   6   7.903  -1.289  -3.708
   51    HG2  ARG   6           HG2      ARG   6   9.078  -1.150  -5.823
   52    HG3  ARG   6           HG1      ARG   6  10.673  -1.347  -4.978
   53    HD2  ARG   6           HD2      ARG   6   8.316  -3.243  -4.606
   54    HD3  ARG   6           HD1      ARG   6   9.649  -3.507  -5.822
   55    HE   ARG   6           HE       ARG   6  10.850  -3.006  -3.269
   56   HH11  ARG   6          HH11      ARG   6   8.876  -5.431  -4.978
   57   HH12  ARG   6          HH12      ARG   6   9.459  -6.779  -4.061
   58   HH21  ARG   6          HH21      ARG   6  11.651  -4.848  -2.026
   59   HH22  ARG   6          HH22      ARG   6  11.059  -6.441  -2.357
   60    H    ILE   7           HN       ILE   7   8.884   1.128  -6.262
   61    HA   ILE   7           HA       ILE   7  11.670   1.109  -6.572
   62    HB   ILE   7           HB       ILE   7   9.405   1.374  -8.452
   63   HG12  ILE   7          HG12      ILE   7  11.406  -0.852  -8.397
   64   HG13  ILE   7          HG11      ILE   7  10.274  -0.697  -7.005
   65   HG21  ILE   7          HG21      ILE   7  12.441   1.463  -8.915
   66   HG22  ILE   7          HG22      ILE   7  11.193   2.651  -9.454
   67   HG23  ILE   7          HG23      ILE   7  11.275   1.017 -10.219
   68   HD11  ILE   7          HD11      ILE   7   8.534  -1.485  -8.202
   69   HD12  ILE   7          HD12      ILE   7   9.709  -1.906  -9.519
   70   HD13  ILE   7          HD13      ILE   7   8.841  -0.318  -9.546
   71    H    ILE   8           HN       ILE   8   9.093   3.130  -6.136
   72    HA   ILE   8           HA       ILE   8  10.450   5.424  -7.234
   73    HB   ILE   8           HB       ILE   8   8.363   5.383  -5.107
   74   HG12  ILE   8          HG12      ILE   8   7.448   3.866  -6.559
   75   HG13  ILE   8          HG11      ILE   8   6.650   5.405  -7.044
   76   HG21  ILE   8          HG21      ILE   8   8.022   7.640  -5.682
   77   HG22  ILE   8          HG22      ILE   8   8.336   7.353  -7.437
   78   HG23  ILE   8          HG23      ILE   8   9.719   7.477  -6.280
   79   HD11  ILE   8          HD11      ILE   8   7.255   4.269  -9.079
   80   HD12  ILE   8          HD12      ILE   8   8.892   3.846  -8.442
   81   HD13  ILE   8          HD13      ILE   8   8.505   5.562  -8.877
   82    H    LEU   9           HN       LEU   9   9.720   3.811  -4.430
   83    HA   LEU   9           HA       LEU   9  10.893   5.351  -2.565
   84    HB2  LEU   9           HB2      LEU   9   9.985   2.724  -3.120
   85    HB3  LEU   9           HB1      LEU   9  11.330   2.743  -1.928
   86    HG   LEU   9           HG       LEU   9   9.089   4.651  -1.396
   87   HD11  LEU   9          HD11      LEU   9   7.828   2.682  -2.270
   88   HD12  LEU   9          HD12      LEU   9   7.580   2.873  -0.496
   89   HD13  LEU   9          HD13      LEU   9   8.699   1.603  -1.126
   90   HD21  LEU   9          HD21      LEU   9  11.312   3.686  -0.066
   91   HD22  LEU   9          HD22      LEU   9  10.013   2.623   0.620
   92   HD23  LEU   9          HD23      LEU   9   9.873   4.420   0.756
   93    H    ASP  10           HN       ASP  10  12.080   3.120  -4.810
   94    HA   ASP  10           HA       ASP  10  14.497   2.977  -3.441
   95    HB2  ASP  10           HB2      ASP  10  13.234   2.294  -5.988
   96    HB3  ASP  10           HB1      ASP  10  15.001   2.557  -6.149
   97    H    PHE  11           HN       PHE  11  12.892   5.064  -5.703
   98    HA   PHE  11           HA       PHE  11  15.326   6.432  -6.375
   99    HB2  PHE  11           HB2      PHE  11  12.423   6.830  -7.054
  100    HB3  PHE  11           HB1      PHE  11  13.795   7.725  -7.872
  101    HD1  PHE  11           HD1      PHE  11  11.987   6.168  -9.502
  102    HD2  PHE  11           HD2      PHE  11  15.317   4.920  -7.246
  103    HE1  PHE  11           HE1      PHE  11  12.145   4.102 -10.738
  104    HE2  PHE  11           HE2      PHE  11  15.446   2.976  -8.293
  105    HZ   PHE  11           HZ       PHE  11  13.913   2.438 -10.221
  106    H    LEU  12           HN       LEU  12  13.249   6.276  -4.002
  107    HA   LEU  12           HA       LEU  12  13.144   9.026  -3.595
  108    HB2  LEU  12           HB2      LEU  12  12.173   6.564  -2.356
  109    HB3  LEU  12           HB1      LEU  12  12.017   8.131  -1.455
  110    HG   LEU  12           HG       LEU  12  11.103   7.559  -4.225
  111   HD11  LEU  12          HD11      LEU  12  10.002   6.729  -1.730
  112   HD12  LEU  12          HD12      LEU  12   9.357   6.461  -3.387
  113   HD13  LEU  12          HD13      LEU  12   8.863   7.933  -2.453
  114   HD21  LEU  12          HD21      LEU  12   9.633   9.742  -3.285
  115   HD22  LEU  12          HD22      LEU  12  11.071   9.792  -4.383
  116   HD23  LEU  12          HD23      LEU  12  11.290   9.993  -2.602
  117    H    PHE  13           HN       PHE  13  14.479   6.108  -2.399
  118    HA   PHE  13           HA       PHE  13  16.092   7.710  -0.537
  119    HB2  PHE  13           HB2      PHE  13  14.946   4.969  -0.077
  120    HB3  PHE  13           HB1      PHE  13  15.712   6.040   1.186
  121    HD1  PHE  13           HD1      PHE  13  13.044   4.979  -0.615
  122    HD2  PHE  13           HD2      PHE  13  14.340   8.163   1.760
  123    HE1  PHE  13           HE1      PHE  13  10.930   5.678  -0.565
  124    HE2  PHE  13           HE2      PHE  13  12.028   8.925   1.945
  125    HZ   PHE  13           HZ       PHE  13  10.223   7.672   0.797
  126    H    DLE  14           HN       DLE  14  15.669   4.963  -2.669
  127    HA   DLE  14           HA       DLE  14  18.353   4.331  -1.988
  128    HB2  DLE  14           HB2      DLE  14  17.758   5.165  -4.484
  129    HB3  DLE  14           HB1      DLE  14  19.173   4.146  -4.037
  130    HG   DLE  14           HG       DLE  14  16.579   2.768  -4.569
  131   HD11  DLE  14          HD11      DLE  14  18.275   3.856  -6.866
  132   HD12  DLE  14          HD12      DLE  14  16.821   4.711  -6.207
  133   HD13  DLE  14          HD13      DLE  14  16.661   3.061  -6.923
  134   HD21  DLE  14          HD21      DLE  14  17.911   0.981  -4.814
  135   HD22  DLE  14          HD22      DLE  14  19.234   2.008  -4.153
  136   HD23  DLE  14          HD23      DLE  14  19.030   1.839  -5.947
  137    H    ARG  15           HN       ARG  15  15.619   3.684  -1.144
  138    HA   ARG  15           HA       ARG  15  15.026   1.960   0.121
  139    HB2  ARG  15           HB2      ARG  15  15.325   0.766  -2.629
  140    HB3  ARG  15           HB1      ARG  15  14.680  -0.212  -1.254
  141    HG2  ARG  15           HG2      ARG  15  13.603   2.592  -1.658
  142    HG3  ARG  15           HG1      ARG  15  13.049   1.294  -2.794
  143    HD2  ARG  15           HD2      ARG  15  13.074   0.824   0.242
  144    HD3  ARG  15           HD1      ARG  15  11.680   1.672  -0.557
  145    HE   ARG  15           HE       ARG  15  12.184  -0.619  -2.117
  146   HH11  ARG  15          HH11      ARG  15  11.342   0.177   1.254
  147   HH12  ARG  15          HH12      ARG  15  10.437  -1.271   1.542
  148   HH21  ARG  15          HH21      ARG  15  10.941  -2.604  -1.720
  149   HH22  ARG  15          HH22      ARG  15  10.206  -2.877  -0.176
  150    H    LYS  16           HN       LYS  16  17.539   2.747   0.005
  151    HA   LYS  16           HA       LYS  16  19.170   0.391   0.527
  152    HB2  LYS  16           HB2      LYS  16  21.116   1.730  -0.095
  153    HB3  LYS  16           HB1      LYS  16  19.884   1.948  -1.394
  154    HG2  LYS  16           HG2      LYS  16  19.111   4.066  -0.241
  155    HG3  LYS  16           HG1      LYS  16  20.479   3.890   0.915
  156    HD2  LYS  16           HD2      LYS  16  22.073   4.490  -0.662
  157    HD3  LYS  16           HD1      LYS  16  21.170   3.750  -2.029
  158    HE2  LYS  16           HE2      LYS  16  19.637   5.671  -2.172
  159    HE3  LYS  16           HE1      LYS  16  20.282   6.365  -0.627
  160    HZ1  LYS  16           HZ1      LYS  16  22.253   5.826  -2.698
  161    HZ2  LYS  16           HZ2      LYS  16  22.077   7.155  -1.654
  162    HZ3  LYS  16           HZ3      LYS  16  21.120   7.040  -3.053
  163    H    LYS  17           HN       LYS  17  17.175   2.459   1.999
  164    HA   LYS  17           HA       LYS  17  18.971   2.630   4.265
  165    HB2  LYS  17           HB2      LYS  17  17.077   4.833   3.295
  166    HB3  LYS  17           HB1      LYS  17  17.977   4.869   4.858
  167    HG2  LYS  17           HG2      LYS  17  20.140   4.738   3.598
  168    HG3  LYS  17           HG1      LYS  17  19.224   4.733   2.053
  169    HD2  LYS  17           HD2      LYS  17  18.268   6.987   2.617
  170    HD3  LYS  17           HD1      LYS  17  19.196   6.994   4.155
  171    HE2  LYS  17           HE2      LYS  17  20.459   6.847   1.334
  172    HE3  LYS  17           HE1      LYS  17  20.332   8.342   2.351
  173    HZ1  LYS  17           HZ1      LYS  17  22.168   6.156   2.501
  174    HZ2  LYS  17           HZ2      LYS  17  21.442   6.481   4.001
  175    HZ3  LYS  17           HZ3      LYS  17  22.256   7.716   3.165
  Start of MODEL   14
    1    H1   GLU   1           HT1      GLU   1   4.780  -7.277  -2.176
    2    H2   GLU   1           HT2      GLU   1   6.393  -6.777  -1.991
    3    H3   GLU   1           HT3      GLU   1   5.998  -8.426  -1.890
    4    HA   GLU   1           HA       GLU   1   7.048  -7.690  -4.000
    5    HB2  GLU   1           HB2      GLU   1   5.252  -9.691  -3.491
    6    HB3  GLU   1           HB1      GLU   1   4.290  -8.748  -4.679
    7    HG2  GLU   1           HG2      GLU   1   5.487 -10.431  -5.952
    8    HG3  GLU   1           HG1      GLU   1   6.347  -8.871  -6.264
    9    H    MET   2           HN       MET   2   7.241  -5.732  -5.050
   10    HA   MET   2           HA       MET   2   4.771  -4.670  -6.203
   11    HB2  MET   2           HB2      MET   2   6.520  -3.196  -4.231
   12    HB3  MET   2           HB1      MET   2   6.092  -2.305  -5.748
   13    HG2  MET   2           HG2      MET   2   3.849  -2.202  -5.253
   14    HG3  MET   2           HG1      MET   2   3.839  -3.730  -4.309
   15    HE1  MET   2           HE1      MET   2   4.142  -4.117  -2.138
   16    HE2  MET   2           HE2      MET   2   4.648  -3.021  -0.806
   17    HE3  MET   2           HE3      MET   2   5.863  -3.619  -1.987
   18    H    ARG   3           HN       ARG   3   5.225  -2.900  -7.441
   19    HA   ARG   3           HA       ARG   3   7.318  -3.468  -9.263
   20    HB2  ARG   3           HB2      ARG   3   4.473  -2.708  -9.363
   21    HB3  ARG   3           HB1      ARG   3   5.473  -1.667 -10.409
   22    HG2  ARG   3           HG2      ARG   3   6.325  -3.436 -11.606
   23    HG3  ARG   3           HG1      ARG   3   5.731  -4.657 -10.409
   24    HD2  ARG   3           HD2      ARG   3   3.380  -4.166 -11.022
   25    HD3  ARG   3           HD1      ARG   3   3.928  -2.838 -12.137
   26    HE   ARG   3           HE       ARG   3   5.278  -5.208 -12.957
   27   HH11  ARG   3          HH11      ARG   3   1.959  -3.961 -12.620
   28   HH12  ARG   3          HH12      ARG   3   1.310  -4.893 -13.927
   29   HH21  ARG   3          HH21      ARG   3   4.397  -6.477 -14.737
   30   HH22  ARG   3          HH22      ARG   3   2.721  -6.349 -15.150
   31    H    ILE   4           HN       ILE   4   6.859  -1.007 -10.453
   32    HA   ILE   4           HA       ILE   4   8.716   0.541  -9.931
   33    HB   ILE   4           HB       ILE   4   6.897   2.434 -10.219
   34   HG12  ILE   4          HG12      ILE   4   4.882   1.560 -11.294
   35   HG13  ILE   4          HG11      ILE   4   5.512  -0.117 -11.237
   36   HG21  ILE   4          HG21      ILE   4   7.813   0.339 -12.296
   37   HG22  ILE   4          HG22      ILE   4   8.668   1.870 -11.858
   38   HG23  ILE   4          HG23      ILE   4   7.079   1.935 -12.710
   39   HD11  ILE   4          HD11      ILE   4   5.038   1.503  -8.665
   40   HD12  ILE   4          HD12      ILE   4   5.185  -0.295  -8.823
   41   HD13  ILE   4          HD13      ILE   4   3.714   0.561  -9.443
   42    H    SER   5           HN       SER   5   6.354  -0.027  -7.648
   43    HA   SER   5           HA       SER   5   6.210   2.306  -6.253
   44    HB2  SER   5           HB2      SER   5   6.203  -0.548  -5.392
   45    HB3  SER   5           HB1      SER   5   5.701   0.816  -4.308
   46    HG   SER   5           HG       SER   5   3.817   0.628  -5.164
   47    H    ARG   6           HN       ARG   6   8.189  -0.407  -6.391
   48    HA   ARG   6           HA       ARG   6   9.678  -0.021  -4.056
   49    HB2  ARG   6           HB2      ARG   6  10.811  -1.961  -4.869
   50    HB3  ARG   6           HB1      ARG   6   9.082  -2.127  -5.404
   51    HG2  ARG   6           HG2      ARG   6   9.799  -0.827  -7.491
   52    HG3  ARG   6           HG1      ARG   6  11.492  -1.307  -7.029
   53    HD2  ARG   6           HD2      ARG   6   9.131  -3.230  -7.271
   54    HD3  ARG   6           HD1      ARG   6  10.354  -2.933  -8.592
   55    HE   ARG   6           HE       ARG   6  11.700  -3.556  -6.098
   56   HH11  ARG   6          HH11      ARG   6   9.730  -5.011  -8.686
   57   HH12  ARG   6          HH12      ARG   6  10.419  -6.592  -8.539
   58   HH21  ARG   6          HH21      ARG   6  12.639  -5.713  -5.895
   59   HH22  ARG   6          HH22      ARG   6  12.100  -6.998  -6.922
   60    H    ILE   7           HN       ILE   7   9.451   1.182  -7.214
   61    HA   ILE   7           HA       ILE   7  12.176   1.873  -7.282
   62    HB   ILE   7           HB       ILE   7   9.947   2.028  -9.226
   63   HG12  ILE   7          HG12      ILE   7  12.579   0.570  -9.514
   64   HG13  ILE   7          HG11      ILE   7  11.420   0.011  -8.261
   65   HG21  ILE   7          HG21      ILE   7  11.765   2.794 -10.867
   66   HG22  ILE   7          HG22      ILE   7  12.835   3.084  -9.441
   67   HG23  ILE   7          HG23      ILE   7  11.304   4.024  -9.628
   68   HD11  ILE   7          HD11      ILE   7  10.253   0.506 -10.989
   69   HD12  ILE   7          HD12      ILE   7   9.905  -0.788  -9.770
   70   HD13  ILE   7          HD13      ILE   7  11.371  -0.908 -10.835
   71    H    ILE   8           HN       ILE   8   9.191   3.056  -6.514
   72    HA   ILE   8           HA       ILE   8  10.003   5.809  -6.786
   73    HB   ILE   8           HB       ILE   8   7.991   4.697  -4.891
   74   HG12  ILE   8          HG12      ILE   8   7.366   3.588  -6.779
   75   HG13  ILE   8          HG11      ILE   8   6.294   5.028  -6.823
   76   HG21  ILE   8          HG21      ILE   8   7.239   6.903  -4.699
   77   HG22  ILE   8          HG22      ILE   8   7.466   7.246  -6.456
   78   HG23  ILE   8          HG23      ILE   8   8.880   7.297  -5.334
   79   HD11  ILE   8          HD11      ILE   8   8.004   6.091  -8.433
   80   HD12  ILE   8          HD12      ILE   8   7.152   4.630  -9.074
   81   HD13  ILE   8          HD13      ILE   8   8.846   4.490  -8.461
   82    H    LEU   9           HN       LEU   9   9.672   3.312  -4.651
   83    HA   LEU   9           HA       LEU   9  10.466   4.415  -2.327
   84    HB2  LEU   9           HB2      LEU   9  10.179   1.961  -3.731
   85    HB3  LEU   9           HB1      LEU   9  11.444   1.886  -2.461
   86    HG   LEU   9           HG       LEU   9   8.689   2.951  -1.779
   87   HD11  LEU   9          HD11      LEU   9   8.028   0.534  -1.195
   88   HD12  LEU   9          HD12      LEU   9   9.456  -0.009  -2.161
   89   HD13  LEU   9          HD13      LEU   9   8.118   0.892  -2.960
   90   HD21  LEU   9          HD21      LEU   9   9.470   2.735   0.354
   91   HD22  LEU   9          HD22      LEU   9  11.098   2.526  -0.418
   92   HD23  LEU   9          HD23      LEU   9  10.115   1.076   0.043
   93    H    ASP  10           HN       ASP  10  12.124   3.302  -5.066
   94    HA   ASP  10           HA       ASP  10  14.504   3.360  -3.591
   95    HB2  ASP  10           HB2      ASP  10  13.497   3.096  -6.316
   96    HB3  ASP  10           HB1      ASP  10  15.153   3.798  -6.238
   97    H    PHE  11           HN       PHE  11  12.424   5.545  -5.321
   98    HA   PHE  11           HA       PHE  11  14.465   7.555  -5.435
   99    HB2  PHE  11           HB2      PHE  11  11.533   7.493  -6.083
  100    HB3  PHE  11           HB1      PHE  11  12.650   8.877  -6.527
  101    HD1  PHE  11           HD1      PHE  11  11.228   7.518  -8.646
  102    HD2  PHE  11           HD2      PHE  11  14.806   6.409  -6.680
  103    HE1  PHE  11           HE1      PHE  11  11.840   6.018 -10.432
  104    HE2  PHE  11           HE2      PHE  11  15.346   4.961  -8.262
  105    HZ   PHE  11           HZ       PHE  11  13.947   4.714 -10.340
  106    H    LEU  12           HN       LEU  12  12.589   6.224  -3.294
  107    HA   LEU  12           HA       LEU  12  11.940   8.624  -2.033
  108    HB2  LEU  12           HB2      LEU  12  11.498   5.751  -1.669
  109    HB3  LEU  12           HB1      LEU  12  11.067   6.910  -0.340
  110    HG   LEU  12           HG       LEU  12  10.226   7.084  -3.181
  111   HD11  LEU  12          HD11      LEU  12   8.777   5.436  -2.822
  112   HD12  LEU  12          HD12      LEU  12   7.995   6.400  -1.502
  113   HD13  LEU  12          HD13      LEU  12   9.375   5.287  -1.133
  114   HD21  LEU  12          HD21      LEU  12   9.750   9.192  -2.588
  115   HD22  LEU  12          HD22      LEU  12   9.953   8.821  -0.832
  116   HD23  LEU  12          HD23      LEU  12   8.369   8.499  -1.649
  117    H    PHE  13           HN       PHE  13  13.886   5.775  -1.827
  118    HA   PHE  13           HA       PHE  13  15.286   7.031   0.444
  119    HB2  PHE  13           HB2      PHE  13  14.607   4.109   0.134
  120    HB3  PHE  13           HB1      PHE  13  15.297   4.900   1.625
  121    HD1  PHE  13           HD1      PHE  13  12.717   4.051  -0.411
  122    HD2  PHE  13           HD2      PHE  13  13.666   6.430   2.885
  123    HE1  PHE  13           HE1      PHE  13  10.551   4.348  -0.132
  124    HE2  PHE  13           HE2      PHE  13  11.280   6.715   3.320
  125    HZ   PHE  13           HZ       PHE  13   9.617   5.642   1.821
  126    H    DLE  14           HN       DLE  14  15.215   4.971  -2.424
  127    HA   DLE  14           HA       DLE  14  18.072   4.767  -2.110
  128    HB2  DLE  14           HB2      DLE  14  18.298   4.034  -4.419
  129    HB3  DLE  14           HB1      DLE  14  16.513   4.284  -4.620
  130    HG   DLE  14           HG       DLE  14  16.910   6.561  -3.698
  131   HD11  DLE  14          HD11      DLE  14  18.999   7.301  -3.229
  132   HD12  DLE  14          HD12      DLE  14  19.729   6.513  -4.685
  133   HD13  DLE  14          HD13      DLE  14  19.387   5.533  -3.187
  134   HD21  DLE  14          HD21      DLE  14  16.697   7.310  -5.816
  135   HD22  DLE  14          HD22      DLE  14  16.740   5.555  -6.231
  136   HD23  DLE  14          HD23      DLE  14  18.249   6.552  -6.362
  137    H    ARG  15           HN       ARG  15  15.685   3.454  -1.118
  138    HA   ARG  15           HA       ARG  15  15.486   1.499  -0.294
  139    HB2  ARG  15           HB2      ARG  15  15.829   0.898  -3.237
  140    HB3  ARG  15           HB1      ARG  15  15.271  -0.366  -2.062
  141    HG2  ARG  15           HG2      ARG  15  13.953   2.364  -1.938
  142    HG3  ARG  15           HG1      ARG  15  13.533   1.295  -3.341
  143    HD2  ARG  15           HD2      ARG  15  13.625   0.084  -0.532
  144    HD3  ARG  15           HD1      ARG  15  12.187   1.075  -1.018
  145    HE   ARG  15           HE       ARG  15  12.641  -0.645  -3.183
  146   HH11  ARG  15          HH11      ARG  15  12.046  -0.943   0.319
  147   HH12  ARG  15          HH12      ARG  15  11.250  -2.478   0.216
  148   HH21  ARG  15          HH21      ARG  15  11.558  -2.747  -3.321
  149   HH22  ARG  15          HH22      ARG  15  10.969  -3.520  -1.889
  150    H    LYS  16           HN       LYS  16  17.832   2.723  -0.368
  151    HA   LYS  16           HA       LYS  16  19.908   0.723  -0.573
  152    HB2  LYS  16           HB2      LYS  16  21.473   2.674  -0.518
  153    HB3  LYS  16           HB1      LYS  16  20.287   2.790  -1.879
  154    HG2  LYS  16           HG2      LYS  16  18.851   4.260  -0.556
  155    HG3  LYS  16           HG1      LYS  16  19.956   4.144   0.854
  156    HD2  LYS  16           HD2      LYS  16  21.678   5.390  -0.264
  157    HD3  LYS  16           HD1      LYS  16  20.912   5.176  -1.876
  158    HE2  LYS  16           HE2      LYS  16  19.010   6.650  -1.224
  159    HE3  LYS  16           HE1      LYS  16  19.684   6.806   0.455
  160    HZ1  LYS  16           HZ1      LYS  16  21.234   7.558  -1.964
  161    HZ2  LYS  16           HZ2      LYS  16  21.513   7.987  -0.345
  162    HZ3  LYS  16           HZ3      LYS  16  20.180   8.632  -1.177
  163    H    LYS  17           HN       LYS  17  17.708   1.977   1.533
  164    HA   LYS  17           HA       LYS  17  19.610   1.730   3.712
  165    HB2  LYS  17           HB2      LYS  17  17.102   3.432   3.922
  166    HB3  LYS  17           HB1      LYS  17  18.591   3.501   4.933
  167    HG2  LYS  17           HG2      LYS  17  19.853   4.267   2.836
  168    HG3  LYS  17           HG1      LYS  17  18.260   4.412   2.017
  169    HD2  LYS  17           HD2      LYS  17  19.002   5.868   4.636
  170    HD3  LYS  17           HD1      LYS  17  19.175   6.585   2.997
  171    HE2  LYS  17           HE2      LYS  17  16.690   6.299   2.625
  172    HE3  LYS  17           HE1      LYS  17  16.535   5.635   4.305
  173    HZ1  LYS  17           HZ1      LYS  17  17.965   8.001   4.487
  174    HZ2  LYS  17           HZ2      LYS  17  16.372   7.690   4.987
  175    HZ3  LYS  17           HZ3      LYS  17  16.670   8.313   3.434
  Start of MODEL   15
    1    H1   GLU   1           HT1      GLU   1   6.088  -8.675 -10.117
    2    H2   GLU   1           HT2      GLU   1   7.712  -9.171 -10.077
    3    H3   GLU   1           HT3      GLU   1   7.318  -7.540  -9.821
    4    HA   GLU   1           HA       GLU   1   5.872  -9.031  -7.993
    5    HB2  GLU   1           HB2      GLU   1   8.887  -9.639  -7.992
    6    HB3  GLU   1           HB1      GLU   1   7.733 -10.120  -6.699
    7    HG2  GLU   1           HG2      GLU   1   7.555 -11.076  -9.640
    8    HG3  GLU   1           HG1      GLU   1   8.304 -12.015  -8.291
    9    H    MET   2           HN       MET   2   5.987  -6.338  -8.474
   10    HA   MET   2           HA       MET   2   7.171  -5.391  -6.003
   11    HB2  MET   2           HB2      MET   2   7.861  -3.139  -7.349
   12    HB3  MET   2           HB1      MET   2   9.062  -4.533  -7.221
   13    HG2  MET   2           HG2      MET   2   7.111  -4.558  -9.553
   14    HG3  MET   2           HG1      MET   2   8.458  -3.387  -9.584
   15    HE1  MET   2           HE1      MET   2  11.531  -5.288  -8.941
   16    HE2  MET   2           HE2      MET   2  10.575  -3.767  -8.966
   17    HE3  MET   2           HE3      MET   2  11.242  -4.433 -10.497
   18    H    ARG   3           HN       ARG   3   6.686  -3.589  -5.376
   19    HA   ARG   3           HA       ARG   3   4.510  -2.492  -6.739
   20    HB2  ARG   3           HB2      ARG   3   5.114  -2.790  -3.911
   21    HB3  ARG   3           HB1      ARG   3   4.544  -1.123  -4.407
   22    HG2  ARG   3           HG2      ARG   3   2.498  -2.282  -4.204
   23    HG3  ARG   3           HG1      ARG   3   2.936  -2.380  -5.967
   24    HD2  ARG   3           HD2      ARG   3   3.567  -4.652  -5.842
   25    HD3  ARG   3           HD1      ARG   3   3.687  -4.654  -4.023
   26    HE   ARG   3           HE       ARG   3   1.208  -4.895  -5.643
   27   HH11  ARG   3          HH11      ARG   3   2.701  -4.135  -2.496
   28   HH12  ARG   3          HH12      ARG   3   1.279  -4.473  -1.568
   29   HH21  ARG   3          HH21      ARG   3  -0.723  -5.351  -4.378
   30   HH22  ARG   3          HH22      ARG   3  -0.699  -5.175  -2.656
   31    H    ILE   4           HN       ILE   4   4.859  -1.128  -7.949
   32    HA   ILE   4           HA       ILE   4   7.218  -0.279  -8.665
   33    HB   ILE   4           HB       ILE   4   4.850   1.432  -8.936
   34   HG12  ILE   4          HG12      ILE   4   3.781  -0.659  -9.195
   35   HG13  ILE   4          HG11      ILE   4   4.236  -0.230 -10.892
   36   HG21  ILE   4          HG21      ILE   4   5.794   1.659 -11.285
   37   HG22  ILE   4          HG22      ILE   4   7.189   0.641 -10.759
   38   HG23  ILE   4          HG23      ILE   4   6.886   2.239  -9.968
   39   HD11  ILE   4          HD11      ILE   4   6.515  -1.664  -9.841
   40   HD12  ILE   4          HD12      ILE   4   5.278  -2.280 -11.014
   41   HD13  ILE   4          HD13      ILE   4   5.051  -2.551  -9.234
   42    H    SER   5           HN       SER   5   5.563   0.440  -6.090
   43    HA   SER   5           HA       SER   5   6.055   3.031  -5.680
   44    HB2  SER   5           HB2      SER   5   5.537   0.715  -3.885
   45    HB3  SER   5           HB1      SER   5   5.510   2.437  -3.282
   46    HG   SER   5           HG       SER   5   3.733   2.840  -4.533
   47    H    ARG   6           HN       ARG   6   7.397   0.104  -4.916
   48    HA   ARG   6           HA       ARG   6   9.127   0.931  -2.899
   49    HB2  ARG   6           HB2      ARG   6   9.590  -1.343  -2.855
   50    HB3  ARG   6           HB1      ARG   6   7.974  -1.331  -3.711
   51    HG2  ARG   6           HG2      ARG   6   9.120  -1.134  -5.851
   52    HG3  ARG   6           HG1      ARG   6  10.721  -1.382  -5.032
   53    HD2  ARG   6           HD2      ARG   6   8.336  -3.245  -4.664
   54    HD3  ARG   6           HD1      ARG   6   9.623  -3.494  -5.933
   55    HE   ARG   6           HE       ARG   6  10.852  -3.089  -3.347
   56   HH11  ARG   6          HH11      ARG   6   9.012  -5.450  -5.279
   57   HH12  ARG   6          HH12      ARG   6   9.673  -6.842  -4.494
   58   HH21  ARG   6          HH21      ARG   6  11.762  -4.990  -2.284
   59   HH22  ARG   6          HH22      ARG   6  11.262  -6.577  -2.764
   60    H    ILE   7           HN       ILE   7   8.879   1.126  -6.263
   61    HA   ILE   7           HA       ILE   7  11.655   1.120  -6.640
   62    HB   ILE   7           HB       ILE   7   9.341   1.393  -8.459
   63   HG12  ILE   7          HG12      ILE   7  11.360  -0.816  -8.486
   64   HG13  ILE   7          HG11      ILE   7  10.264  -0.687  -7.063
   65   HG21  ILE   7          HG21      ILE   7  11.128   1.108 -10.296
   66   HG22  ILE   7          HG22      ILE   7  12.363   1.469  -9.029
   67   HG23  ILE   7          HG23      ILE   7  11.123   2.708  -9.461
   68   HD11  ILE   7          HD11      ILE   7   8.771  -0.290  -9.573
   69   HD12  ILE   7          HD12      ILE   7   8.492  -1.461  -8.224
   70   HD13  ILE   7          HD13      ILE   7   9.638  -1.879  -9.568
   71    H    ILE   8           HN       ILE   8   9.080   3.128  -6.122
   72    HA   ILE   8           HA       ILE   8  10.425   5.436  -7.211
   73    HB   ILE   8           HB       ILE   8   8.365   5.376  -5.057
   74   HG12  ILE   8          HG12      ILE   8   7.426   3.873  -6.506
   75   HG13  ILE   8          HG11      ILE   8   6.622   5.418  -6.964
   76   HG21  ILE   8          HG21      ILE   8   8.362   7.363  -7.386
   77   HG22  ILE   8          HG22      ILE   8   9.695   7.488  -6.175
   78   HG23  ILE   8          HG23      ILE   8   7.975   7.635  -5.645
   79   HD11  ILE   8          HD11      ILE   8   8.449   5.586  -8.826
   80   HD12  ILE   8          HD12      ILE   8   7.191   4.300  -9.020
   81   HD13  ILE   8          HD13      ILE   8   8.836   3.867  -8.415
   82    H    LEU   9           HN       LEU   9   9.725   3.789  -4.417
   83    HA   LEU   9           HA       LEU   9  10.909   5.309  -2.544
   84    HB2  LEU   9           HB2      LEU   9  10.013   2.682  -3.123
   85    HB3  LEU   9           HB1      LEU   9  11.365   2.697  -1.943
   86    HG   LEU   9           HG       LEU   9   9.110   4.580  -1.372
   87   HD11  LEU   9          HD11      LEU   9   7.852   2.611  -2.238
   88   HD12  LEU   9          HD12      LEU   9   7.642   2.769  -0.457
   89   HD13  LEU   9          HD13      LEU   9   8.763   1.523  -1.132
   90   HD21  LEU   9          HD21      LEU   9   9.922   4.345   0.765
   91   HD22  LEU   9          HD22      LEU   9  11.359   3.625  -0.073
   92   HD23  LEU   9          HD23      LEU   9  10.077   2.551   0.621
   93    H    ASP  10           HN       ASP  10  12.079   3.104  -4.822
   94    HA   ASP  10           HA       ASP  10  14.508   2.931  -3.480
   95    HB2  ASP  10           HB2      ASP  10  13.210   2.318  -6.036
   96    HB3  ASP  10           HB1      ASP  10  14.978   2.546  -6.198
   97    H    PHE  11           HN       PHE  11  12.891   5.052  -5.708
   98    HA   PHE  11           HA       PHE  11  15.321   6.425  -6.379
   99    HB2  PHE  11           HB2      PHE  11  12.416   6.826  -7.042
  100    HB3  PHE  11           HB1      PHE  11  13.785   7.724  -7.862
  101    HD1  PHE  11           HD1      PHE  11  11.957   6.162  -9.480
  102    HD2  PHE  11           HD2      PHE  11  15.321   4.928  -7.268
  103    HE1  PHE  11           HE1      PHE  11  12.112   4.103 -10.723
  104    HE2  PHE  11           HE2      PHE  11  15.448   2.985  -8.325
  105    HZ   PHE  11           HZ       PHE  11  13.893   2.447 -10.234
  106    H    LEU  12           HN       LEU  12  13.257   6.249  -4.001
  107    HA   LEU  12           HA       LEU  12  13.149   8.995  -3.572
  108    HB2  LEU  12           HB2      LEU  12  12.188   6.522  -2.345
  109    HB3  LEU  12           HB1      LEU  12  12.037   8.081  -1.431
  110    HG   LEU  12           HG       LEU  12  11.105   7.536  -4.199
  111   HD11  LEU  12          HD11      LEU  12   9.376   6.417  -3.351
  112   HD12  LEU  12          HD12      LEU  12   8.870   7.889  -2.426
  113   HD13  LEU  12          HD13      LEU  12  10.017   6.693  -1.696
  114   HD21  LEU  12          HD21      LEU  12   9.638   9.703  -3.281
  115   HD22  LEU  12          HD22      LEU  12  11.125   9.778  -4.308
  116   HD23  LEU  12          HD23      LEU  12  11.258   9.948  -2.515
  117    H    PHE  13           HN       PHE  13  14.497   6.071  -2.402
  118    HA   PHE  13           HA       PHE  13  16.113   7.671  -0.539
  119    HB2  PHE  13           HB2      PHE  13  14.973   4.924  -0.083
  120    HB3  PHE  13           HB1      PHE  13  15.739   5.995   1.181
  121    HD1  PHE  13           HD1      PHE  13  13.072   4.929  -0.617
  122    HD2  PHE  13           HD2      PHE  13  14.362   8.109   1.768
  123    HE1  PHE  13           HE1      PHE  13  10.955   5.616  -0.554
  124    HE2  PHE  13           HE2      PHE  13  12.048   8.859   1.963
  125    HZ   PHE  13           HZ       PHE  13  10.243   7.602   0.819
  126    H    DLE  14           HN       DLE  14  15.692   4.941  -2.692
  127    HA   DLE  14           HA       DLE  14  18.379   4.312  -2.018
  128    HB2  DLE  14           HB2      DLE  14  17.770   5.115  -4.512
  129    HB3  DLE  14           HB1      DLE  14  19.176   4.082  -4.072
  130    HG   DLE  14           HG       DLE  14  16.553   2.743  -4.564
  131   HD11  DLE  14          HD11      DLE  14  16.801   4.650  -6.229
  132   HD12  DLE  14          HD12      DLE  14  16.651   2.990  -6.936
  133   HD13  DLE  14          HD13      DLE  14  18.260   3.794  -6.874
  134   HD21  DLE  14          HD21      DLE  14  19.220   1.947  -4.183
  135   HD22  DLE  14          HD22      DLE  14  18.945   1.722  -5.962
  136   HD23  DLE  14          HD23      DLE  14  17.851   0.929  -4.756
  137    H    ARG  15           HN       ARG  15  15.626   3.666  -1.180
  138    HA   ARG  15           HA       ARG  15  15.027   1.962   0.109
  139    HB2  ARG  15           HB2      ARG  15  15.375   0.734  -2.616
  140    HB3  ARG  15           HB1      ARG  15  14.727  -0.236  -1.239
  141    HG2  ARG  15           HG2      ARG  15  13.610   2.543  -1.675
  142    HG3  ARG  15           HG1      ARG  15  13.104   1.237  -2.826
  143    HD2  ARG  15           HD2      ARG  15  13.076   0.776   0.213
  144    HD3  ARG  15           HD1      ARG  15  11.673   1.568  -0.627
  145    HE   ARG  15           HE       ARG  15  12.291  -0.707  -2.163
  146   HH11  ARG  15          HH11      ARG  15  11.363   0.056   1.192
  147   HH12  ARG  15          HH12      ARG  15  10.530  -1.437   1.472
  148   HH21  ARG  15          HH21      ARG  15  11.153  -2.751  -1.777
  149   HH22  ARG  15          HH22      ARG  15  10.409  -3.058  -0.245
  150    H    LYS  16           HN       LYS  16  17.539   2.765   0.008
  151    HA   LYS  16           HA       LYS  16  19.174   0.429   0.602
  152    HB2  LYS  16           HB2      LYS  16  21.124   1.746  -0.043
  153    HB3  LYS  16           HB1      LYS  16  19.901   1.937  -1.357
  154    HG2  LYS  16           HG2      LYS  16  19.127   4.081  -0.251
  155    HG3  LYS  16           HG1      LYS  16  20.490   3.928   0.911
  156    HD2  LYS  16           HD2      LYS  16  22.087   4.495  -0.675
  157    HD3  LYS  16           HD1      LYS  16  21.187   3.729  -2.029
  158    HE2  LYS  16           HE2      LYS  16  19.651   5.648  -2.207
  159    HE3  LYS  16           HE1      LYS  16  20.298   6.373  -0.677
  160    HZ1  LYS  16           HZ1      LYS  16  22.380   5.832  -2.554
  161    HZ2  LYS  16           HZ2      LYS  16  21.937   7.285  -1.795
  162    HZ3  LYS  16           HZ3      LYS  16  21.175   6.812  -3.236
  163    H    LYS  17           HN       LYS  17  17.172   2.558   2.001
  164    HA   LYS  17           HA       LYS  17  18.946   2.764   4.281
  165    HB2  LYS  17           HB2      LYS  17  17.108   4.975   3.228
  166    HB3  LYS  17           HB1      LYS  17  17.975   5.032   4.809
  167    HG2  LYS  17           HG2      LYS  17  20.162   4.843   3.603
  168    HG3  LYS  17           HG1      LYS  17  19.283   4.810   2.037
  169    HD2  LYS  17           HD2      LYS  17  18.359   7.091   2.500
  170    HD3  LYS  17           HD1      LYS  17  19.218   7.125   4.079
  171    HE2  LYS  17           HE2      LYS  17  21.427   6.988   2.889
  172    HE3  LYS  17           HE1      LYS  17  20.562   6.943   1.297
  173    HZ1  LYS  17           HZ1      LYS  17  19.654   9.104   2.893
  174    HZ2  LYS  17           HZ2      LYS  17  20.366   9.108   1.353
  175    HZ3  LYS  17           HZ3      LYS  17  21.343   9.151   2.740
  Start of MODEL   16
    1    H1   GLU   1           HT1      GLU   1   7.763  -8.375  -4.755
    2    H2   GLU   1           HT2      GLU   1   9.180  -7.976  -3.908
    3    H3   GLU   1           HT3      GLU   1   8.729  -7.077  -5.276
    4    HA   GLU   1           HA       GLU   1   6.713  -7.189  -3.255
    5    HB2  GLU   1           HB2      GLU   1   8.865  -7.155  -1.882
    6    HB3  GLU   1           HB1      GLU   1   9.303  -5.624  -2.717
    7    HG2  GLU   1           HG2      GLU   1   7.269  -4.500  -1.773
    8    HG3  GLU   1           HG1      GLU   1   6.788  -6.042  -0.957
    9    H    MET   2           HN       MET   2   5.487  -6.347  -5.063
   10    HA   MET   2           HA       MET   2   4.564  -4.648  -6.214
   11    HB2  MET   2           HB2      MET   2   6.087  -3.061  -4.184
   12    HB3  MET   2           HB1      MET   2   5.895  -2.228  -5.779
   13    HG2  MET   2           HG2      MET   2   4.061  -1.649  -4.238
   14    HG3  MET   2           HG1      MET   2   3.458  -2.515  -5.686
   15    HE1  MET   2           HE1      MET   2   0.979  -3.393  -2.796
   16    HE2  MET   2           HE2      MET   2   1.276  -2.520  -4.339
   17    HE3  MET   2           HE3      MET   2   2.002  -1.914  -2.810
   18    H    ARG   3           HN       ARG   3   5.048  -2.809  -7.446
   19    HA   ARG   3           HA       ARG   3   7.126  -3.441  -9.265
   20    HB2  ARG   3           HB2      ARG   3   4.300  -2.633  -9.374
   21    HB3  ARG   3           HB1      ARG   3   5.316  -1.614 -10.426
   22    HG2  ARG   3           HG2      ARG   3   6.141  -3.407 -11.612
   23    HG3  ARG   3           HG1      ARG   3   5.527  -4.610 -10.405
   24    HD2  ARG   3           HD2      ARG   3   3.184  -4.077 -11.020
   25    HD3  ARG   3           HD1      ARG   3   3.758  -2.778 -12.155
   26    HE   ARG   3           HE       ARG   3   5.060  -5.186 -12.940
   27   HH11  ARG   3          HH11      ARG   3   1.765  -3.873 -12.616
   28   HH12  ARG   3          HH12      ARG   3   1.097  -4.816 -13.906
   29   HH21  ARG   3          HH21      ARG   3   4.153  -6.467 -14.696
   30   HH22  ARG   3          HH22      ARG   3   2.477  -6.316 -15.109
   31    H    ILE   4           HN       ILE   4   6.725  -0.984 -10.480
   32    HA   ILE   4           HA       ILE   4   8.615   0.527  -9.965
   33    HB   ILE   4           HB       ILE   4   6.834   2.455 -10.280
   34   HG12  ILE   4          HG12      ILE   4   4.815   1.609 -11.369
   35   HG13  ILE   4          HG11      ILE   4   5.414  -0.079 -11.292
   36   HG21  ILE   4          HG21      ILE   4   7.032   1.939 -12.766
   37   HG22  ILE   4          HG22      ILE   4   7.732   0.333 -12.334
   38   HG23  ILE   4          HG23      ILE   4   8.611   1.849 -11.897
   39   HD11  ILE   4          HD11      ILE   4   3.612   0.655  -9.521
   40   HD12  ILE   4          HD12      ILE   4   4.953   1.568  -8.737
   41   HD13  ILE   4          HD13      ILE   4   5.058  -0.234  -8.884
   42    H    SER   5           HN       SER   5   6.230   0.031  -7.688
   43    HA   SER   5           HA       SER   5   6.128   2.380  -6.316
   44    HB2  SER   5           HB2      SER   5   6.060  -0.468  -5.428
   45    HB3  SER   5           HB1      SER   5   5.582   0.914  -4.357
   46    HG   SER   5           HG       SER   5   3.825   1.268  -5.579
   47    H    ARG   6           HN       ARG   6   8.052  -0.378  -6.418
   48    HA   ARG   6           HA       ARG   6   9.541  -0.003  -4.082
   49    HB2  ARG   6           HB2      ARG   6  10.636  -1.973  -4.875
   50    HB3  ARG   6           HB1      ARG   6   8.906  -2.107  -5.412
   51    HG2  ARG   6           HG2      ARG   6   9.655  -0.841  -7.511
   52    HG3  ARG   6           HG1      ARG   6  11.337  -1.356  -7.040
   53    HD2  ARG   6           HD2      ARG   6   8.933  -3.228  -7.270
   54    HD3  ARG   6           HD1      ARG   6  10.167  -2.971  -8.591
   55    HE   ARG   6           HE       ARG   6  11.496  -3.598  -6.093
   56   HH11  ARG   6          HH11      ARG   6   9.477  -5.041  -8.650
   57   HH12  ARG   6          HH12      ARG   6  10.125  -6.637  -8.479
   58   HH21  ARG   6          HH21      ARG   6  12.376  -5.776  -5.856
   59   HH22  ARG   6          HH22      ARG   6  11.800  -7.062  -6.861
   60    H    ILE   7           HN       ILE   7   9.350   1.177  -7.249
   61    HA   ILE   7           HA       ILE   7  12.087   1.812  -7.317
   62    HB   ILE   7           HB       ILE   7   9.869   1.991  -9.269
   63   HG12  ILE   7          HG12      ILE   7  12.472   0.480  -9.534
   64   HG13  ILE   7          HG11      ILE   7  11.300  -0.045  -8.279
   65   HG21  ILE   7          HG21      ILE   7  12.781   2.979  -9.494
   66   HG22  ILE   7          HG22      ILE   7  11.275   3.960  -9.676
   67   HG23  ILE   7          HG23      ILE   7  11.697   2.713 -10.912
   68   HD11  ILE   7          HD11      ILE   7  11.238  -0.993 -10.840
   69   HD12  ILE   7          HD12      ILE   7  10.154   0.445 -11.020
   70   HD13  ILE   7          HD13      ILE   7   9.772  -0.827  -9.785
   71    H    ILE   8           HN       ILE   8   9.128   3.061  -6.562
   72    HA   ILE   8           HA       ILE   8  10.007   5.793  -6.856
   73    HB   ILE   8           HB       ILE   8   7.953   4.751  -4.967
   74   HG12  ILE   8          HG12      ILE   8   7.315   3.635  -6.847
   75   HG13  ILE   8          HG11      ILE   8   6.277   5.099  -6.913
   76   HG21  ILE   8          HG21      ILE   8   7.242   6.977  -4.817
   77   HG22  ILE   8          HG22      ILE   8   7.519   7.297  -6.571
   78   HG23  ILE   8          HG23      ILE   8   8.908   7.320  -5.419
   79   HD11  ILE   8          HD11      ILE   8   7.140   4.656  -9.155
   80   HD12  ILE   8          HD12      ILE   8   8.826   4.487  -8.530
   81   HD13  ILE   8          HD13      ILE   8   8.016   6.107  -8.525
   82    H    LEU   9           HN       LEU   9   9.594   3.325  -4.704
   83    HA   LEU   9           HA       LEU   9  10.397   4.427  -2.381
   84    HB2  LEU   9           HB2      LEU   9  10.062   1.966  -3.771
   85    HB3  LEU   9           HB1      LEU   9  11.303   1.873  -2.479
   86    HG   LEU   9           HG       LEU   9   8.563   3.010  -1.855
   87   HD11  LEU   9          HD11      LEU   9   9.274   0.032  -2.197
   88   HD12  LEU   9          HD12      LEU   9   7.960   0.951  -3.013
   89   HD13  LEU   9          HD13      LEU   9   7.852   0.607  -1.246
   90   HD21  LEU   9          HD21      LEU   9  10.942   2.542  -0.448
   91   HD22  LEU   9          HD22      LEU   9   9.908   1.130   0.020
   92   HD23  LEU   9          HD23      LEU   9   9.310   2.813   0.291
   93    H    ASP  10           HN       ASP  10  12.038   3.245  -5.096
   94    HA   ASP  10           HA       ASP  10  14.413   3.224  -3.615
   95    HB2  ASP  10           HB2      ASP  10  13.404   3.037  -6.356
   96    HB3  ASP  10           HB1      ASP  10  15.094   3.638  -6.249
   97    H    PHE  11           HN       PHE  11  12.414   5.474  -5.368
   98    HA   PHE  11           HA       PHE  11  14.519   7.419  -5.475
   99    HB2  PHE  11           HB2      PHE  11  11.592   7.443  -6.153
  100    HB3  PHE  11           HB1      PHE  11  12.756   8.788  -6.595
  101    HD1  PHE  11           HD1      PHE  11  11.316   7.463  -8.720
  102    HD2  PHE  11           HD2      PHE  11  14.833   6.250  -6.708
  103    HE1  PHE  11           HE1      PHE  11  11.895   5.932 -10.489
  104    HE2  PHE  11           HE2      PHE  11  15.342   4.775  -8.275
  105    HZ   PHE  11           HZ       PHE  11  13.958   4.561 -10.368
  106    H    LEU  12           HN       LEU  12  12.575   6.163  -3.346
  107    HA   LEU  12           HA       LEU  12  11.991   8.591  -2.108
  108    HB2  LEU  12           HB2      LEU  12  11.460   5.736  -1.727
  109    HB3  LEU  12           HB1      LEU  12  11.050   6.919  -0.412
  110    HG   LEU  12           HG       LEU  12  10.243   7.094  -3.263
  111   HD11  LEU  12          HD11      LEU  12   7.975   6.492  -1.604
  112   HD12  LEU  12          HD12      LEU  12   9.318   5.342  -1.208
  113   HD13  LEU  12          HD13      LEU  12   8.741   5.493  -2.905
  114   HD21  LEU  12          HD21      LEU  12   8.414   8.577  -1.767
  115   HD22  LEU  12          HD22      LEU  12   9.832   9.221  -2.689
  116   HD23  LEU  12          HD23      LEU  12   9.992   8.856  -0.928
  117    H    PHE  13           HN       PHE  13  13.850   5.688  -1.860
  118    HA   PHE  13           HA       PHE  13  15.265   6.921   0.413
  119    HB2  PHE  13           HB2      PHE  13  14.499   4.018   0.123
  120    HB3  PHE  13           HB1      PHE  13  15.198   4.802   1.613
  121    HD1  PHE  13           HD1      PHE  13  12.614   4.015  -0.442
  122    HD2  PHE  13           HD2      PHE  13  13.602   6.387   2.846
  123    HE1  PHE  13           HE1      PHE  13  10.456   4.380  -0.188
  124    HE2  PHE  13           HE2      PHE  13  11.221   6.748   3.255
  125    HZ   PHE  13           HZ       PHE  13   9.542   5.715   1.748
  126    H    DLE  14           HN       DLE  14  15.155   4.826  -2.433
  127    HA   DLE  14           HA       DLE  14  18.004   4.544  -2.094
  128    HB2  DLE  14           HB2      DLE  14  18.215   3.754  -4.390
  129    HB3  DLE  14           HB1      DLE  14  16.443   4.069  -4.603
  130    HG   DLE  14           HG       DLE  14  16.928   6.345  -3.715
  131   HD11  DLE  14          HD11      DLE  14  19.051   7.017  -3.278
  132   HD12  DLE  14          HD12      DLE  14  19.743   6.149  -4.708
  133   HD13  DLE  14          HD13      DLE  14  19.359   5.233  -3.181
  134   HD21  DLE  14          HD21      DLE  14  16.732   5.294  -6.238
  135   HD22  DLE  14          HD22      DLE  14  18.261   6.261  -6.375
  136   HD23  DLE  14          HD23      DLE  14  16.718   7.053  -5.843
  137    H    ARG  15           HN       ARG  15  15.557   3.314  -1.115
  138    HA   ARG  15           HA       ARG  15  15.297   1.380  -0.255
  139    HB2  ARG  15           HB2      ARG  15  15.655   0.720  -3.181
  140    HB3  ARG  15           HB1      ARG  15  15.037  -0.503  -1.996
  141    HG2  ARG  15           HG2      ARG  15  13.814   2.273  -1.941
  142    HG3  ARG  15           HG1      ARG  15  13.379   1.194  -3.331
  143    HD2  ARG  15           HD2      ARG  15  13.392   0.012  -0.512
  144    HD3  ARG  15           HD1      ARG  15  12.006   1.070  -1.006
  145    HE   ARG  15           HE       ARG  15  12.375  -0.681  -3.163
  146   HH11  ARG  15          HH11      ARG  15  11.764  -0.936   0.343
  147   HH12  ARG  15          HH12      ARG  15  10.887  -2.427   0.242
  148   HH21  ARG  15          HH21      ARG  15  11.178  -2.726  -3.289
  149   HH22  ARG  15          HH22      ARG  15  10.548  -3.457  -1.850
  150    H    LYS  16           HN       LYS  16  17.684   2.528  -0.326
  151    HA   LYS  16           HA       LYS  16  19.697   0.462  -0.490
  152    HB2  LYS  16           HB2      LYS  16  21.322   2.360  -0.450
  153    HB3  LYS  16           HB1      LYS  16  20.144   2.509  -1.813
  154    HG2  LYS  16           HG2      LYS  16  18.760   4.040  -0.507
  155    HG3  LYS  16           HG1      LYS  16  19.850   3.892   0.911
  156    HD2  LYS  16           HD2      LYS  16  21.600   5.105  -0.166
  157    HD3  LYS  16           HD1      LYS  16  20.906   4.846  -1.804
  158    HE2  LYS  16           HE2      LYS  16  18.995   6.370  -1.281
  159    HE3  LYS  16           HE1      LYS  16  19.612   6.585   0.412
  160    HZ1  LYS  16           HZ1      LYS  16  20.203   8.344  -1.241
  161    HZ2  LYS  16           HZ2      LYS  16  21.231   7.224  -1.999
  162    HZ3  LYS  16           HZ3      LYS  16  21.510   7.679  -0.386
  163    H    LYS  17           HN       LYS  17  17.521   1.804   1.586
  164    HA   LYS  17           HA       LYS  17  19.398   1.522   3.782
  165    HB2  LYS  17           HB2      LYS  17  16.940   3.300   3.956
  166    HB3  LYS  17           HB1      LYS  17  18.423   3.336   4.978
  167    HG2  LYS  17           HG2      LYS  17  19.723   4.044   2.886
  168    HG3  LYS  17           HG1      LYS  17  18.144   4.223   2.048
  169    HD2  LYS  17           HD2      LYS  17  18.899   5.690   4.656
  170    HD3  LYS  17           HD1      LYS  17  19.107   6.382   3.011
  171    HE2  LYS  17           HE2      LYS  17  16.619   6.159   2.619
  172    HE3  LYS  17           HE1      LYS  17  16.431   5.520   4.305
  173    HZ1  LYS  17           HZ1      LYS  17  16.321   7.587   4.962
  174    HZ2  LYS  17           HZ2      LYS  17  16.641   8.182   3.404
  175    HZ3  LYS  17           HZ3      LYS  17  17.923   7.850   4.468
  Start of MODEL   17
    1    H1   GLU   1           HT1      GLU   1   7.708  -8.433 -10.427
    2    H2   GLU   1           HT2      GLU   1   9.050  -9.098  -9.626
    3    H3   GLU   1           HT3      GLU   1   8.800  -7.418  -9.613
    4    HA   GLU   1           HA       GLU   1   6.485  -8.499  -8.639
    5    HB2  GLU   1           HB2      GLU   1   9.014  -9.810  -7.494
    6    HB3  GLU   1           HB1      GLU   1   7.453  -9.763  -6.598
    7    HG2  GLU   1           HG2      GLU   1   6.326 -11.079  -8.369
    8    HG3  GLU   1           HG1      GLU   1   7.812 -11.034  -9.396
    9    H    MET   2           HN       MET   2   6.954  -5.968  -8.785
   10    HA   MET   2           HA       MET   2   7.848  -5.171  -6.082
   11    HB2  MET   2           HB2      MET   2   7.964  -3.325  -8.532
   12    HB3  MET   2           HB1      MET   2   8.612  -2.950  -6.903
   13    HG2  MET   2           HG2      MET   2   9.703  -5.045  -8.924
   14    HG3  MET   2           HG1      MET   2  10.400  -3.435  -8.584
   15    HE1  MET   2           HE1      MET   2  11.727  -3.439  -5.135
   16    HE2  MET   2           HE2      MET   2  10.906  -2.591  -6.490
   17    HE3  MET   2           HE3      MET   2  12.565  -3.240  -6.713
   18    H    ARG   3           HN       ARG   3   7.223  -3.342  -5.432
   19    HA   ARG   3           HA       ARG   3   4.742  -2.625  -6.529
   20    HB2  ARG   3           HB2      ARG   3   5.737  -2.755  -3.795
   21    HB3  ARG   3           HB1      ARG   3   4.864  -1.205  -4.224
   22    HG2  ARG   3           HG2      ARG   3   3.068  -2.671  -3.742
   23    HG3  ARG   3           HG1      ARG   3   3.275  -2.711  -5.549
   24    HD2  ARG   3           HD2      ARG   3   4.444  -4.845  -5.455
   25    HD3  ARG   3           HD1      ARG   3   4.440  -4.849  -3.634
   26    HE   ARG   3           HE       ARG   3   2.111  -5.393  -3.674
   27   HH11  ARG   3          HH11      ARG   3   3.390  -4.678  -6.931
   28   HH12  ARG   3          HH12      ARG   3   1.984  -5.248  -7.770
   29   HH21  ARG   3          HH21      ARG   3   0.209  -6.166  -4.822
   30   HH22  ARG   3          HH22      ARG   3   0.149  -6.107  -6.552
   31    H    ILE   4           HN       ILE   4   4.750  -1.208  -7.749
   32    HA   ILE   4           HA       ILE   4   6.920  -0.071  -8.713
   33    HB   ILE   4           HB       ILE   4   4.361   1.314  -8.800
   34   HG12  ILE   4          HG12      ILE   4   3.525  -0.911  -8.888
   35   HG13  ILE   4          HG11      ILE   4   3.775  -0.513 -10.634
   36   HG21  ILE   4          HG21      ILE   4   6.618   0.708 -10.790
   37   HG22  ILE   4          HG22      ILE   4   6.177   2.301 -10.056
   38   HG23  ILE   4          HG23      ILE   4   5.068   1.515 -11.249
   39   HD11  ILE   4          HD11      ILE   4   5.007  -2.654  -8.982
   40   HD12  ILE   4          HD12      ILE   4   6.302  -1.635  -9.733
   41   HD13  ILE   4          HD13      ILE   4   5.058  -2.434 -10.781
   42    H    SER   5           HN       SER   5   5.578   0.473  -5.906
   43    HA   SER   5           HA       SER   5   5.937   3.186  -5.765
   44    HB2  SER   5           HB2      SER   5   5.204   1.062  -3.805
   45    HB3  SER   5           HB1      SER   5   5.261   2.825  -3.352
   46    HG   SER   5           HG       SER   5   3.484   3.199  -4.486
   47    H    ARG   6           HN       ARG   6   7.152   0.264  -4.765
   48    HA   ARG   6           HA       ARG   6   8.826   1.243  -2.733
   49    HB2  ARG   6           HB2      ARG   6   9.184  -1.003  -2.373
   50    HB3  ARG   6           HB1      ARG   6   7.642  -1.066  -3.339
   51    HG2  ARG   6           HG2      ARG   6   9.031  -1.103  -5.383
   52    HG3  ARG   6           HG1      ARG   6  10.467  -1.468  -4.350
   53    HD2  ARG   6           HD2      ARG   6   7.828  -2.970  -4.070
   54    HD3  ARG   6           HD1      ARG   6   9.130  -3.523  -5.222
   55    HE   ARG   6           HE       ARG   6  10.231  -3.012  -2.579
   56   HH11  ARG   6          HH11      ARG   6   8.264  -5.318  -4.459
   57   HH12  ARG   6          HH12      ARG   6   8.696  -6.698  -3.510
   58   HH21  ARG   6          HH21      ARG   6  10.817  -4.900  -1.290
   59   HH22  ARG   6          HH22      ARG   6  10.167  -6.456  -1.680
   60    H    ILE   7           HN       ILE   7   8.637   1.158  -6.044
   61    HA   ILE   7           HA       ILE   7  11.388   0.976  -6.518
   62    HB   ILE   7           HB       ILE   7   8.960   1.411  -8.161
   63   HG12  ILE   7          HG12      ILE   7  10.893  -0.913  -8.114
   64   HG13  ILE   7          HG11      ILE   7   9.565  -0.723  -6.914
   65   HG21  ILE   7          HG21      ILE   7  10.740   2.602  -9.328
   66   HG22  ILE   7          HG22      ILE   7  10.559   1.003 -10.146
   67   HG23  ILE   7          HG23      ILE   7  11.922   1.280  -8.997
   68   HD11  ILE   7          HD11      ILE   7   9.329  -1.837  -9.535
   69   HD12  ILE   7          HD12      ILE   7   8.544  -0.206  -9.611
   70   HD13  ILE   7          HD13      ILE   7   8.007  -1.406  -8.376
   71    H    ILE   8           HN       ILE   8   8.918   3.190  -6.069
   72    HA   ILE   8           HA       ILE   8  10.392   5.359  -7.257
   73    HB   ILE   8           HB       ILE   8   8.343   5.493  -5.096
   74   HG12  ILE   8          HG12      ILE   8   7.354   3.982  -6.500
   75   HG13  ILE   8          HG11      ILE   8   6.605   5.543  -6.999
   76   HG21  ILE   8          HG21      ILE   8   8.351   7.409  -7.463
   77   HG22  ILE   8          HG22      ILE   8   9.795   7.478  -6.379
   78   HG23  ILE   8          HG23      ILE   8   8.143   7.753  -5.704
   79   HD11  ILE   8          HD11      ILE   8   8.427   5.582  -8.876
   80   HD12  ILE   8          HD12      ILE   8   7.117   4.331  -9.020
   81   HD13  ILE   8          HD13      ILE   8   8.753   3.865  -8.404
   82    H    LEU   9           HN       LEU   9   9.610   3.913  -4.375
   83    HA   LEU   9           HA       LEU   9  10.909   5.455  -2.601
   84    HB2  LEU   9           HB2      LEU   9   9.825   2.875  -3.029
   85    HB3  LEU   9           HB1      LEU   9  11.183   2.857  -1.852
   86    HG   LEU   9           HG       LEU   9   9.090   4.938  -1.383
   87   HD11  LEU   9          HD11      LEU   9   7.671   3.046  -2.162
   88   HD12  LEU   9          HD12      LEU   9   7.469   3.310  -0.392
   89   HD13  LEU   9          HD13      LEU   9   8.479   1.941  -0.996
   90   HD21  LEU   9          HD21      LEU   9   9.870   4.736   0.772
   91   HD22  LEU   9          HD22      LEU   9  11.253   3.880  -0.033
   92   HD23  LEU   9          HD23      LEU   9   9.898   2.929   0.704
   93    H    ASP  10           HN       ASP  10  11.912   3.054  -4.758
   94    HA   ASP  10           HA       ASP  10  14.337   2.802  -3.414
   95    HB2  ASP  10           HB2      ASP  10  12.978   2.105  -5.913
   96    HB3  ASP  10           HB1      ASP  10  14.754   2.222  -6.108
   97    H    PHE  11           HN       PHE  11  12.837   4.887  -5.756
   98    HA   PHE  11           HA       PHE  11  15.343   6.065  -6.516
   99    HB2  PHE  11           HB2      PHE  11  12.464   6.624  -7.180
  100    HB3  PHE  11           HB1      PHE  11  13.883   7.378  -8.058
  101    HD1  PHE  11           HD1      PHE  11  11.930   5.852  -9.568
  102    HD2  PHE  11           HD2      PHE  11  15.239   4.527  -7.325
  103    HE1  PHE  11           HE1      PHE  11  11.934   3.720 -10.693
  104    HE2  PHE  11           HE2      PHE  11  15.224   2.524  -8.270
  105    HZ   PHE  11           HZ       PHE  11  13.611   1.981 -10.129
  106    H    LEU  12           HN       LEU  12  13.295   6.157  -4.117
  107    HA   LEU  12           HA       LEU  12  13.371   8.924  -3.844
  108    HB2  LEU  12           HB2      LEU  12  12.268   6.591  -2.472
  109    HB3  LEU  12           HB1      LEU  12  12.227   8.206  -1.645
  110    HG   LEU  12           HG       LEU  12  11.230   7.569  -4.373
  111   HD11  LEU  12          HD11      LEU  12  10.119   6.934  -1.821
  112   HD12  LEU  12          HD12      LEU  12   9.440   6.617  -3.455
  113   HD13  LEU  12          HD13      LEU  12   9.045   8.164  -2.599
  114   HD21  LEU  12          HD21      LEU  12   9.912   9.871  -3.578
  115   HD22  LEU  12          HD22      LEU  12  11.400   9.796  -4.605
  116   HD23  LEU  12          HD23      LEU  12  11.546  10.058  -2.824
  117    H    PHE  13           HN       PHE  13  14.537   5.989  -2.520
  118    HA   PHE  13           HA       PHE  13  16.270   7.579  -0.756
  119    HB2  PHE  13           HB2      PHE  13  14.960   4.941  -0.146
  120    HB3  PHE  13           HB1      PHE  13  15.807   6.024   1.054
  121    HD1  PHE  13           HD1      PHE  13  13.057   5.039  -0.661
  122    HD2  PHE  13           HD2      PHE  13  14.580   8.257   1.526
  123    HE1  PHE  13           HE1      PHE  13  10.992   5.868  -0.624
  124    HE2  PHE  13           HE2      PHE  13  12.322   9.168   1.696
  125    HZ   PHE  13           HZ       PHE  13  10.427   7.971   0.637
  126    H    DLE  14           HN       DLE  14  15.657   4.772  -2.759
  127    HA   DLE  14           HA       DLE  14  18.309   4.015  -2.074
  128    HB2  DLE  14           HB2      DLE  14  17.716   4.714  -4.604
  129    HB3  DLE  14           HB1      DLE  14  19.064   3.626  -4.120
  130    HG   DLE  14           HG       DLE  14  16.361   2.417  -4.511
  131   HD11  DLE  14          HD11      DLE  14  18.092   3.226  -6.897
  132   HD12  DLE  14          HD12      DLE  14  16.708   4.216  -6.280
  133   HD13  DLE  14          HD13      DLE  14  16.430   2.537  -6.887
  134   HD21  DLE  14          HD21      DLE  14  18.979   1.489  -4.111
  135   HD22  DLE  14          HD22      DLE  14  18.676   1.189  -5.874
  136   HD23  DLE  14          HD23      DLE  14  17.549   0.522  -4.622
  137    H    ARG  15           HN       ARG  15  15.539   3.590  -1.167
  138    HA   ARG  15           HA       ARG  15  14.864   2.006   0.231
  139    HB2  ARG  15           HB2      ARG  15  15.076   0.601  -2.423
  140    HB3  ARG  15           HB1      ARG  15  14.385  -0.237  -0.981
  141    HG2  ARG  15           HG2      ARG  15  13.459   2.585  -1.584
  142    HG3  ARG  15           HG1      ARG  15  12.836   1.242  -2.631
  143    HD2  ARG  15           HD2      ARG  15  12.835   1.033   0.440
  144    HD3  ARG  15           HD1      ARG  15  11.462   1.809  -0.462
  145    HE   ARG  15           HE       ARG  15  11.960  -0.626  -1.780
  146   HH11  ARG  15          HH11      ARG  15  11.087   0.502   1.486
  147   HH12  ARG  15          HH12      ARG  15  10.183  -0.913   1.909
  148   HH21  ARG  15          HH21      ARG  15  10.727  -2.564  -1.198
  149   HH22  ARG  15          HH22      ARG  15   9.974  -2.685   0.356
  150    H    LYS  16           HN       LYS  16  17.419   2.637   0.038
  151    HA   LYS  16           HA       LYS  16  18.918   0.237   0.731
  152    HB2  LYS  16           HB2      LYS  16  20.931   1.400  -0.013
  153    HB3  LYS  16           HB1      LYS  16  19.697   1.596  -1.313
  154    HG2  LYS  16           HG2      LYS  16  19.070   3.835  -0.311
  155    HG3  LYS  16           HG1      LYS  16  20.444   3.664   0.836
  156    HD2  LYS  16           HD2      LYS  16  22.042   4.050  -0.802
  157    HD3  LYS  16           HD1      LYS  16  21.072   3.269  -2.099
  158    HE2  LYS  16           HE2      LYS  16  19.652   5.265  -2.359
  159    HE3  LYS  16           HE1      LYS  16  20.363   6.026  -0.876
  160    HZ1  LYS  16           HZ1      LYS  16  22.235   6.568  -1.964
  161    HZ2  LYS  16           HZ2      LYS  16  21.194   6.547  -3.305
  162    HZ3  LYS  16           HZ3      LYS  16  22.210   5.222  -2.999
  163    H    LYS  17           HN       LYS  17  17.077   2.550   2.052
  164    HA   LYS  17           HA       LYS  17  18.913   2.775   4.282
  165    HB2  LYS  17           HB2      LYS  17  17.154   5.015   3.158
  166    HB3  LYS  17           HB1      LYS  17  18.066   5.112   4.710
  167    HG2  LYS  17           HG2      LYS  17  20.208   4.755   3.461
  168    HG3  LYS  17           HG1      LYS  17  19.284   4.683   1.922
  169    HD2  LYS  17           HD2      LYS  17  18.479   7.026   2.289
  170    HD3  LYS  17           HD1      LYS  17  19.383   7.100   3.841
  171    HE2  LYS  17           HE2      LYS  17  21.548   6.800   2.603
  172    HE3  LYS  17           HE1      LYS  17  20.637   6.713   1.038
  173    HZ1  LYS  17           HZ1      LYS  17  20.323   8.891   1.036
  174    HZ2  LYS  17           HZ2      LYS  17  21.622   8.940   2.129
  175    HZ3  LYS  17           HZ3      LYS  17  20.025   9.001   2.704
  Start of MODEL   18
    1    H1   GLU   1           HT1      GLU   1   7.305  -9.201  -4.472
    2    H2   GLU   1           HT2      GLU   1   8.170  -7.817  -4.004
    3    H3   GLU   1           HT3      GLU   1   7.304  -7.824  -5.466
    4    HA   GLU   1           HA       GLU   1   5.404  -8.464  -3.696
    5    HB2  GLU   1           HB2      GLU   1   6.981  -7.981  -1.804
    6    HB3  GLU   1           HB1      GLU   1   7.255  -6.335  -2.470
    7    HG2  GLU   1           HG2      GLU   1   5.670  -6.188  -0.584
    8    HG3  GLU   1           HG1      GLU   1   4.783  -5.816  -2.112
    9    H    MET   2           HN       MET   2   7.313  -5.648  -4.940
   10    HA   MET   2           HA       MET   2   4.824  -4.702  -6.170
   11    HB2  MET   2           HB2      MET   2   6.510  -3.141  -4.208
   12    HB3  MET   2           HB1      MET   2   6.081  -2.290  -5.746
   13    HG2  MET   2           HG2      MET   2   4.149  -1.733  -4.750
   14    HG3  MET   2           HG1      MET   2   3.642  -3.429  -5.011
   15    HE1  MET   2           HE1      MET   2   4.452  -0.598  -2.681
   16    HE2  MET   2           HE2      MET   2   6.063  -1.397  -2.637
   17    HE3  MET   2           HE3      MET   2   5.056  -1.321  -1.150
   18    H    ARG   3           HN       ARG   3   5.265  -2.918  -7.425
   19    HA   ARG   3           HA       ARG   3   7.380  -3.485  -9.221
   20    HB2  ARG   3           HB2      ARG   3   4.531  -2.756  -9.353
   21    HB3  ARG   3           HB1      ARG   3   5.528  -1.712 -10.399
   22    HG2  ARG   3           HG2      ARG   3   6.416  -3.484 -11.569
   23    HG3  ARG   3           HG1      ARG   3   5.817  -4.700 -10.368
   24    HD2  ARG   3           HD2      ARG   3   3.470  -4.228 -11.017
   25    HD3  ARG   3           HD1      ARG   3   4.026  -2.916 -12.144
   26    HE   ARG   3           HE       ARG   3   5.402  -5.283 -12.914
   27   HH11  ARG   3          HH11      ARG   3   2.065  -4.074 -12.623
   28   HH12  ARG   3          HH12      ARG   3   1.438  -5.037 -13.918
   29   HH21  ARG   3          HH21      ARG   3   4.551  -6.595 -14.676
   30   HH22  ARG   3          HH22      ARG   3   2.876  -6.496 -15.104
   31    H    ILE   4           HN       ILE   4   6.913  -1.041 -10.442
   32    HA   ILE   4           HA       ILE   4   8.756   0.524  -9.925
   33    HB   ILE   4           HB       ILE   4   6.928   2.402 -10.249
   34   HG12  ILE   4          HG12      ILE   4   4.923   1.504 -11.322
   35   HG13  ILE   4          HG11      ILE   4   5.562  -0.168 -11.247
   36   HG21  ILE   4          HG21      ILE   4   7.132   1.882 -12.729
   37   HG22  ILE   4          HG22      ILE   4   7.860   0.287 -12.297
   38   HG23  ILE   4          HG23      ILE   4   8.716   1.818 -11.865
   39   HD11  ILE   4          HD11      ILE   4   3.749   0.513  -9.469
   40   HD12  ILE   4          HD12      ILE   4   5.061   1.473  -8.693
   41   HD13  ILE   4          HD13      ILE   4   5.225  -0.324  -8.831
   42    H    SER   5           HN       SER   5   6.380  -0.029  -7.651
   43    HA   SER   5           HA       SER   5   6.220   2.323  -6.288
   44    HB2  SER   5           HB2      SER   5   6.201  -0.521  -5.397
   45    HB3  SER   5           HB1      SER   5   5.697   0.853  -4.329
   46    HG   SER   5           HG       SER   5   3.937   1.176  -5.552
   47    H    ARG   6           HN       ARG   6   8.203  -0.390  -6.375
   48    HA   ARG   6           HA       ARG   6   9.668   0.028  -4.033
   49    HB2  ARG   6           HB2      ARG   6  10.815  -1.918  -4.806
   50    HB3  ARG   6           HB1      ARG   6   9.093  -2.096  -5.359
   51    HG2  ARG   6           HG2      ARG   6   9.828  -0.817  -7.453
   52    HG3  ARG   6           HG1      ARG   6  11.519  -1.285  -6.969
   53    HD2  ARG   6           HD2      ARG   6   9.166  -3.219  -7.219
   54    HD3  ARG   6           HD1      ARG   6  10.408  -2.935  -8.525
   55    HE   ARG   6           HE       ARG   6  11.713  -3.527  -5.999
   56   HH11  ARG   6          HH11      ARG   6   9.806  -5.011  -8.619
   57   HH12  ARG   6          HH12      ARG   6  10.500  -6.587  -8.444
   58   HH21  ARG   6          HH21      ARG   6  12.655  -5.677  -5.758
   59   HH22  ARG   6          HH22      ARG   6  12.146  -6.972  -6.788
   60    H    ILE   7           HN       ILE   7   9.467   1.194  -7.205
   61    HA   ILE   7           HA       ILE   7  12.191   1.891  -7.258
   62    HB   ILE   7           HB       ILE   7   9.977   2.019  -9.221
   63   HG12  ILE   7          HG12      ILE   7  12.614   0.563  -9.470
   64   HG13  ILE   7          HG11      ILE   7  11.445   0.014  -8.222
   65   HG21  ILE   7          HG21      ILE   7  12.867   3.071  -9.432
   66   HG22  ILE   7          HG22      ILE   7  11.340   4.015  -9.627
   67   HG23  ILE   7          HG23      ILE   7  11.799   2.774 -10.856
   68   HD11  ILE   7          HD11      ILE   7  10.302   0.481 -10.967
   69   HD12  ILE   7          HD12      ILE   7   9.945  -0.802  -9.737
   70   HD13  ILE   7          HD13      ILE   7  11.421  -0.930 -10.788
   71    H    ILE   8           HN       ILE   8   9.197   3.079  -6.529
   72    HA   ILE   8           HA       ILE   8  10.009   5.830  -6.825
   73    HB   ILE   8           HB       ILE   8   7.981   4.737  -4.937
   74   HG12  ILE   8          HG12      ILE   8   7.378   3.602  -6.816
   75   HG13  ILE   8          HG11      ILE   8   6.301   5.039  -6.887
   76   HG21  ILE   8          HG21      ILE   8   7.216   6.944  -4.783
   77   HG22  ILE   8          HG22      ILE   8   7.470   7.266  -6.540
   78   HG23  ILE   8          HG23      ILE   8   8.868   7.333  -5.400
   79   HD11  ILE   8          HD11      ILE   8   7.178   4.619  -9.127
   80   HD12  ILE   8          HD12      ILE   8   8.867   4.487  -8.499
   81   HD13  ILE   8          HD13      ILE   8   8.022   6.089  -8.495
   82    H    LEU   9           HN       LEU   9   9.662   3.359  -4.669
   83    HA   LEU   9           HA       LEU   9  10.430   4.487  -2.349
   84    HB2  LEU   9           HB2      LEU   9  10.172   2.013  -3.738
   85    HB3  LEU   9           HB1      LEU   9  11.397   1.958  -2.425
   86    HG   LEU   9           HG       LEU   9   8.601   3.009  -1.877
   87   HD11  LEU   9          HD11      LEU   9   9.461   0.064  -2.140
   88   HD12  LEU   9          HD12      LEU   9   8.094   0.897  -2.963
   89   HD13  LEU   9          HD13      LEU   9   8.017   0.581  -1.189
   90   HD21  LEU   9          HD21      LEU   9   9.332   2.944   0.274
   91   HD22  LEU   9          HD22      LEU   9  10.983   2.669  -0.426
   92   HD23  LEU   9          HD23      LEU   9   9.967   1.262   0.091
   93    H    ASP  10           HN       ASP  10  12.117   3.347  -5.056
   94    HA   ASP  10           HA       ASP  10  14.483   3.433  -3.559
   95    HB2  ASP  10           HB2      ASP  10  13.492   3.103  -6.279
   96    HB3  ASP  10           HB1      ASP  10  15.144   3.810  -6.215
   97    H    PHE  11           HN       PHE  11  12.412   5.589  -5.315
   98    HA   PHE  11           HA       PHE  11  14.461   7.590  -5.444
   99    HB2  PHE  11           HB2      PHE  11  11.535   7.531  -6.121
  100    HB3  PHE  11           HB1      PHE  11  12.660   8.904  -6.571
  101    HD1  PHE  11           HD1      PHE  11  11.260   7.529  -8.691
  102    HD2  PHE  11           HD2      PHE  11  14.807   6.422  -6.670
  103    HE1  PHE  11           HE1      PHE  11  11.883   6.004 -10.452
  104    HE2  PHE  11           HE2      PHE  11  15.354   4.951  -8.226
  105    HZ   PHE  11           HZ       PHE  11  13.980   4.688 -10.318
  106    H    LEU  12           HN       LEU  12  12.564   6.280  -3.312
  107    HA   LEU  12           HA       LEU  12  11.924   8.690  -2.065
  108    HB2  LEU  12           HB2      LEU  12  11.466   5.822  -1.678
  109    HB3  LEU  12           HB1      LEU  12  11.031   6.998  -0.368
  110    HG   LEU  12           HG       LEU  12  10.206   7.141  -3.216
  111   HD11  LEU  12          HD11      LEU  12   8.741   5.506  -2.850
  112   HD12  LEU  12          HD12      LEU  12   7.971   6.472  -1.524
  113   HD13  LEU  12          HD13      LEU  12   9.352   5.354  -1.166
  114   HD21  LEU  12          HD21      LEU  12   9.918   8.902  -0.885
  115   HD22  LEU  12          HD22      LEU  12   8.341   8.571  -1.711
  116   HD23  LEU  12          HD23      LEU  12   9.732   9.255  -2.644
  117    H    PHE  13           HN       PHE  13  13.856   5.830  -1.849
  118    HA   PHE  13           HA       PHE  13  15.283   7.094   0.396
  119    HB2  PHE  13           HB2      PHE  13  14.559   4.180   0.142
  120    HB3  PHE  13           HB1      PHE  13  15.276   4.984   1.613
  121    HD1  PHE  13           HD1      PHE  13  12.669   4.182  -0.408
  122    HD2  PHE  13           HD2      PHE  13  13.669   6.512   2.902
  123    HE1  PHE  13           HE1      PHE  13  10.516   4.481  -0.110
  124    HE2  PHE  13           HE2      PHE  13  11.288   6.814   3.360
  125    HZ   PHE  13           HZ       PHE  13   9.605   5.767   1.864
  126    H    DLE  14           HN       DLE  14  15.158   4.944  -2.416
  127    HA   DLE  14           HA       DLE  14  18.016   4.708  -2.100
  128    HB2  DLE  14           HB2      DLE  14  18.223   3.944  -4.415
  129    HB3  DLE  14           HB1      DLE  14  16.456   4.281  -4.621
  130    HG   DLE  14           HG       DLE  14  16.972   6.524  -3.660
  131   HD11  DLE  14          HD11      DLE  14  19.384   5.383  -3.175
  132   HD12  DLE  14          HD12      DLE  14  19.117   7.178  -3.269
  133   HD13  DLE  14          HD13      DLE  14  19.775   6.289  -4.702
  134   HD21  DLE  14          HD21      DLE  14  16.918   5.485  -6.283
  135   HD22  DLE  14          HD22      DLE  14  18.240   6.724  -6.282
  136   HD23  DLE  14          HD23      DLE  14  16.564   7.170  -5.752
  137    H    ARG  15           HN       ARG  15  15.626   3.427  -1.082
  138    HA   ARG  15           HA       ARG  15  15.468   1.486  -0.222
  139    HB2  ARG  15           HB2      ARG  15  15.605   0.844  -3.172
  140    HB3  ARG  15           HB1      ARG  15  15.036  -0.364  -1.942
  141    HG2  ARG  15           HG2      ARG  15  13.922   2.492  -2.023
  142    HG3  ARG  15           HG1      ARG  15  13.234   1.195  -3.082
  143    HD2  ARG  15           HD2      ARG  15  11.929   0.738  -1.188
  144    HD3  ARG  15           HD1      ARG  15  13.421  -0.128  -0.631
  145    HE   ARG  15           HE       ARG  15  13.465   2.712   0.058
  146   HH11  ARG  15          HH11      ARG  15  12.252  -0.527   0.917
  147   HH12  ARG  15          HH12      ARG  15  12.098  -0.191   2.608
  148   HH21  ARG  15          HH21      ARG  15  13.249   3.170   2.364
  149   HH22  ARG  15          HH22      ARG  15  12.674   1.945   3.444
  150    H    LYS  16           HN       LYS  16  17.763   2.625  -0.352
  151    HA   LYS  16           HA       LYS  16  19.824   0.614  -0.655
  152    HB2  LYS  16           HB2      LYS  16  21.408   2.546  -0.611
  153    HB3  LYS  16           HB1      LYS  16  20.185   2.709  -1.931
  154    HG2  LYS  16           HG2      LYS  16  18.817   4.187  -0.551
  155    HG3  LYS  16           HG1      LYS  16  19.935   4.000   0.839
  156    HD2  LYS  16           HD2      LYS  16  21.648   5.276  -0.211
  157    HD3  LYS  16           HD1      LYS  16  20.944   5.058  -1.852
  158    HE2  LYS  16           HE2      LYS  16  19.026   6.546  -1.281
  159    HE3  LYS  16           HE1      LYS  16  19.629   6.702   0.423
  160    HZ1  LYS  16           HZ1      LYS  16  21.318   7.425  -1.903
  161    HZ2  LYS  16           HZ2      LYS  16  21.466   7.901  -0.280
  162    HZ3  LYS  16           HZ3      LYS  16  20.198   8.510  -1.232
  163    H    LYS  17           HN       LYS  17  17.681   1.865   1.524
  164    HA   LYS  17           HA       LYS  17  19.614   1.482   3.652
  165    HB2  LYS  17           HB2      LYS  17  17.253   3.409   3.829
  166    HB3  LYS  17           HB1      LYS  17  18.632   3.255   4.979
  167    HG2  LYS  17           HG2      LYS  17  20.112   3.858   2.858
  168    HG3  LYS  17           HG1      LYS  17  18.567   4.482   2.186
  169    HD2  LYS  17           HD2      LYS  17  19.709   5.332   4.922
  170    HD3  LYS  17           HD1      LYS  17  20.028   6.213   3.390
  171    HE2  LYS  17           HE2      LYS  17  17.185   5.682   4.488
  172    HE3  LYS  17           HE1      LYS  17  18.131   7.196   4.801
  173    HZ1  LYS  17           HZ1      LYS  17  16.493   6.968   2.802
  174    HZ2  LYS  17           HZ2      LYS  17  17.837   6.272   2.031
  175    HZ3  LYS  17           HZ3      LYS  17  17.941   7.844   2.666
  Start of MODEL   19
    1    H1   GLU   1           HT1      GLU   1   6.111  -9.670  -8.275
    2    H2   GLU   1           HT2      GLU   1   6.259  -8.440  -9.437
    3    H3   GLU   1           HT3      GLU   1   5.827  -8.053  -7.840
    4    HA   GLU   1           HA       GLU   1   8.129  -9.384  -7.500
    5    HB2  GLU   1           HB2      GLU   1   8.257  -7.664 -10.038
    6    HB3  GLU   1           HB1      GLU   1   9.723  -8.125  -9.101
    7    HG2  GLU   1           HG2      GLU   1   9.295 -10.536  -9.507
    8    HG3  GLU   1           HG1      GLU   1   7.739 -10.149 -10.342
    9    H    MET   2           HN       MET   2   6.787  -6.161  -8.464
   10    HA   MET   2           HA       MET   2   7.714  -5.127  -5.919
   11    HB2  MET   2           HB2      MET   2   8.231  -2.811  -7.309
   12    HB3  MET   2           HB1      MET   2   9.559  -4.019  -6.926
   13    HG2  MET   2           HG2      MET   2   8.607  -5.111  -9.301
   14    HG3  MET   2           HG1      MET   2   8.282  -3.376  -9.566
   15    HE1  MET   2           HE1      MET   2  12.296  -5.544  -8.814
   16    HE2  MET   2           HE2      MET   2  10.921  -6.238  -9.741
   17    HE3  MET   2           HE3      MET   2  10.714  -5.824  -8.005
   18    H    ARG   3           HN       ARG   3   7.086  -3.300  -5.381
   19    HA   ARG   3           HA       ARG   3   4.707  -2.579  -6.666
   20    HB2  ARG   3           HB2      ARG   3   5.545  -2.621  -3.874
   21    HB3  ARG   3           HB1      ARG   3   4.711  -1.082  -4.405
   22    HG2  ARG   3           HG2      ARG   3   2.887  -2.523  -3.950
   23    HG3  ARG   3           HG1      ARG   3   3.167  -2.611  -5.744
   24    HD2  ARG   3           HD2      ARG   3   4.101  -4.775  -5.648
   25    HD3  ARG   3           HD1      ARG   3   4.431  -4.690  -3.855
   26    HE   ARG   3           HE       ARG   3   1.605  -4.408  -4.239
   27   HH11  ARG   3          HH11      ARG   3   4.225  -6.766  -4.737
   28   HH12  ARG   3          HH12      ARG   3   3.223  -8.161  -4.514
   29   HH21  ARG   3          HH21      ARG   3   0.239  -6.303  -3.935
   30   HH22  ARG   3          HH22      ARG   3   0.917  -7.892  -4.050
   31    H    ILE   4           HN       ILE   4   4.727  -1.135  -7.854
   32    HA   ILE   4           HA       ILE   4   6.912  -0.028  -8.794
   33    HB   ILE   4           HB       ILE   4   4.381   1.402  -8.906
   34   HG12  ILE   4          HG12      ILE   4   3.496  -0.803  -9.004
   35   HG13  ILE   4          HG11      ILE   4   3.778  -0.415 -10.746
   36   HG21  ILE   4          HG21      ILE   4   6.231   2.347 -10.145
   37   HG22  ILE   4          HG22      ILE   4   5.109   1.591 -11.346
   38   HG23  ILE   4          HG23      ILE   4   6.636   0.747 -10.881
   39   HD11  ILE   4          HD11      ILE   4   6.267  -1.578  -9.812
   40   HD12  ILE   4          HD12      ILE   4   5.024  -2.361 -10.871
   41   HD13  ILE   4          HD13      ILE   4   4.950  -2.576  -9.071
   42    H    SER   5           HN       SER   5   5.587   0.518  -5.997
   43    HA   SER   5           HA       SER   5   5.943   3.228  -5.843
   44    HB2  SER   5           HB2      SER   5   5.193   1.100  -3.897
   45    HB3  SER   5           HB1      SER   5   5.248   2.862  -3.438
   46    HG   SER   5           HG       SER   5   3.496   3.251  -4.625
   47    H    ARG   6           HN       ARG   6   7.148   0.307  -4.866
   48    HA   ARG   6           HA       ARG   6   8.798   1.274  -2.809
   49    HB2  ARG   6           HB2      ARG   6   9.137  -0.973  -2.457
   50    HB3  ARG   6           HB1      ARG   6   7.615  -1.030  -3.457
   51    HG2  ARG   6           HG2      ARG   6   9.008  -1.086  -5.476
   52    HG3  ARG   6           HG1      ARG   6  10.461  -1.381  -4.442
   53    HD2  ARG   6           HD2      ARG   6   7.882  -2.967  -4.109
   54    HD3  ARG   6           HD1      ARG   6   9.190  -3.490  -5.259
   55    HE   ARG   6           HE       ARG   6  10.316  -2.897  -2.656
   56   HH11  ARG   6          HH11      ARG   6   8.384  -5.304  -4.439
   57   HH12  ARG   6          HH12      ARG   6   8.875  -6.647  -3.465
   58   HH21  ARG   6          HH21      ARG   6  10.985  -4.732  -1.335
   59   HH22  ARG   6          HH22      ARG   6  10.374  -6.316  -1.671
   60    H    ILE   7           HN       ILE   7   8.635   1.207  -6.120
   61    HA   ILE   7           HA       ILE   7  11.387   1.014  -6.577
   62    HB   ILE   7           HB       ILE   7   8.979   1.502  -8.235
   63   HG12  ILE   7          HG12      ILE   7  10.862  -0.863  -8.175
   64   HG13  ILE   7          HG11      ILE   7   9.494  -0.660  -7.020
   65   HG21  ILE   7          HG21      ILE   7  10.780   2.666  -9.380
   66   HG22  ILE   7          HG22      ILE   7  10.602   1.069 -10.202
   67   HG23  ILE   7          HG23      ILE   7  11.948   1.334  -9.031
   68   HD11  ILE   7          HD11      ILE   7   9.370  -1.608  -9.765
   69   HD12  ILE   7          HD12      ILE   7   8.486  -0.036  -9.649
   70   HD13  ILE   7          HD13      ILE   7   8.034  -1.401  -8.560
   71    H    ILE   8           HN       ILE   8   8.925   3.241  -6.126
   72    HA   ILE   8           HA       ILE   8  10.417   5.413  -7.284
   73    HB   ILE   8           HB       ILE   8   8.349   5.535  -5.143
   74   HG12  ILE   8          HG12      ILE   8   7.367   4.030  -6.561
   75   HG13  ILE   8          HG11      ILE   8   6.625   5.594  -7.059
   76   HG21  ILE   8          HG21      ILE   8   8.145   7.797  -5.747
   77   HG22  ILE   8          HG22      ILE   8   8.386   7.460  -7.504
   78   HG23  ILE   8          HG23      ILE   8   9.810   7.527  -6.393
   79   HD11  ILE   8          HD11      ILE   8   8.774   3.911  -8.455
   80   HD12  ILE   8          HD12      ILE   8   8.469   5.638  -8.918
   81   HD13  ILE   8          HD13      ILE   8   7.152   4.399  -9.084
   82    H    LEU   9           HN       LEU   9   9.605   3.948  -4.420
   83    HA   LEU   9           HA       LEU   9  10.895   5.475  -2.626
   84    HB2  LEU   9           HB2      LEU   9   9.801   2.901  -3.077
   85    HB3  LEU   9           HB1      LEU   9  11.145   2.872  -1.884
   86    HG   LEU   9           HG       LEU   9   9.051   4.961  -1.437
   87   HD11  LEU   9          HD11      LEU   9   8.437   1.960  -1.070
   88   HD12  LEU   9          HD12      LEU   9   7.633   3.078  -2.229
   89   HD13  LEU   9          HD13      LEU   9   7.424   3.322  -0.455
   90   HD21  LEU   9          HD21      LEU   9  11.198   3.899  -0.061
   91   HD22  LEU   9          HD22      LEU   9   9.832   2.950   0.661
   92   HD23  LEU   9          HD23      LEU   9   9.810   4.756   0.728
   93    H    ASP  10           HN       ASP  10  11.899   3.083  -4.790
   94    HA   ASP  10           HA       ASP  10  14.309   2.803  -3.425
   95    HB2  ASP  10           HB2      ASP  10  12.968   2.126  -5.938
   96    HB3  ASP  10           HB1      ASP  10  14.745   2.237  -6.121
   97    H    PHE  11           HN       PHE  11  12.845   4.915  -5.766
   98    HA   PHE  11           HA       PHE  11  15.368   6.079  -6.497
   99    HB2  PHE  11           HB2      PHE  11  12.499   6.665  -7.180
  100    HB3  PHE  11           HB1      PHE  11  13.930   7.417  -8.039
  101    HD1  PHE  11           HD1      PHE  11  11.983   5.921  -9.583
  102    HD2  PHE  11           HD2      PHE  11  15.254   4.547  -7.316
  103    HE1  PHE  11           HE1      PHE  11  11.981   3.799 -10.728
  104    HE2  PHE  11           HE2      PHE  11  15.233   2.552  -8.278
  105    HZ   PHE  11           HZ       PHE  11  13.637   2.040 -10.160
  106    H    LEU  12           HN       LEU  12  13.299   6.170  -4.113
  107    HA   LEU  12           HA       LEU  12  13.396   8.933  -3.819
  108    HB2  LEU  12           HB2      LEU  12  12.262   6.600  -2.476
  109    HB3  LEU  12           HB1      LEU  12  12.227   8.209  -1.637
  110    HG   LEU  12           HG       LEU  12  11.251   7.603  -4.379
  111   HD11  LEU  12          HD11      LEU  12   9.052   8.198  -2.625
  112   HD12  LEU  12          HD12      LEU  12  10.110   6.954  -1.843
  113   HD13  LEU  12          HD13      LEU  12   9.445   6.656  -3.487
  114   HD21  LEU  12          HD21      LEU  12  11.576  10.075  -2.809
  115   HD22  LEU  12          HD22      LEU  12   9.942   9.907  -3.570
  116   HD23  LEU  12          HD23      LEU  12  11.436   9.830  -4.590
  117    H    PHE  13           HN       PHE  13  14.529   5.979  -2.509
  118    HA   PHE  13           HA       PHE  13  16.260   7.540  -0.719
  119    HB2  PHE  13           HB2      PHE  13  14.921   4.909  -0.140
  120    HB3  PHE  13           HB1      PHE  13  15.772   5.973   1.074
  121    HD1  PHE  13           HD1      PHE  13  13.025   5.033  -0.670
  122    HD2  PHE  13           HD2      PHE  13  14.562   8.212   1.563
  123    HE1  PHE  13           HE1      PHE  13  10.968   5.884  -0.643
  124    HE2  PHE  13           HE2      PHE  13  12.313   9.146   1.724
  125    HZ   PHE  13           HZ       PHE  13  10.414   7.979   0.636
  126    H    DLE  14           HN       DLE  14  15.640   4.753  -2.745
  127    HA   DLE  14           HA       DLE  14  18.279   3.970  -2.046
  128    HB2  DLE  14           HB2      DLE  14  17.712   4.695  -4.574
  129    HB3  DLE  14           HB1      DLE  14  19.049   3.592  -4.089
  130    HG   DLE  14           HG       DLE  14  16.342   2.405  -4.511
  131   HD11  DLE  14          HD11      DLE  14  16.714   4.218  -6.263
  132   HD12  DLE  14          HD12      DLE  14  16.429   2.544  -6.886
  133   HD13  DLE  14          HD13      DLE  14  18.095   3.224  -6.878
  134   HD21  DLE  14          HD21      DLE  14  18.662   1.175  -5.865
  135   HD22  DLE  14          HD22      DLE  14  17.518   0.503  -4.632
  136   HD23  DLE  14          HD23      DLE  14  18.950   1.455  -4.099
  137    H    ARG  15           HN       ARG  15  15.503   3.560  -1.160
  138    HA   ARG  15           HA       ARG  15  14.810   1.970   0.222
  139    HB2  ARG  15           HB2      ARG  15  15.017   0.583  -2.441
  140    HB3  ARG  15           HB1      ARG  15  14.309  -0.255  -1.009
  141    HG2  ARG  15           HG2      ARG  15  13.425   2.582  -1.607
  142    HG3  ARG  15           HG1      ARG  15  12.782   1.248  -2.652
  143    HD2  ARG  15           HD2      ARG  15  12.781   1.023   0.415
  144    HD3  ARG  15           HD1      ARG  15  11.429   1.851  -0.470
  145    HE   ARG  15           HE       ARG  15  11.841  -0.584  -1.816
  146   HH11  ARG  15          HH11      ARG  15  11.035   0.537   1.470
  147   HH12  ARG  15          HH12      ARG  15  10.082  -0.848   1.885
  148   HH21  ARG  15          HH21      ARG  15  10.534  -2.482  -1.244
  149   HH22  ARG  15          HH22      ARG  15   9.793  -2.592   0.316
  150    H    LYS  16           HN       LYS  16  17.372   2.578   0.045
  151    HA   LYS  16           HA       LYS  16  18.844   0.158   0.722
  152    HB2  LYS  16           HB2      LYS  16  20.872   1.313   0.003
  153    HB3  LYS  16           HB1      LYS  16  19.646   1.531  -1.303
  154    HG2  LYS  16           HG2      LYS  16  19.031   3.766  -0.281
  155    HG3  LYS  16           HG1      LYS  16  20.399   3.571   0.872
  156    HD2  LYS  16           HD2      LYS  16  22.007   3.963  -0.755
  157    HD3  LYS  16           HD1      LYS  16  21.039   3.202  -2.065
  158    HE2  LYS  16           HE2      LYS  16  19.637   5.211  -2.313
  159    HE3  LYS  16           HE1      LYS  16  20.341   5.951  -0.818
  160    HZ1  LYS  16           HZ1      LYS  16  21.195   6.494  -3.234
  161    HZ2  LYS  16           HZ2      LYS  16  22.199   5.158  -2.936
  162    HZ3  LYS  16           HZ3      LYS  16  22.225   6.491  -1.885
  163    H    LYS  17           HN       LYS  17  17.015   2.470   2.058
  164    HA   LYS  17           HA       LYS  17  18.840   2.653   4.302
  165    HB2  LYS  17           HB2      LYS  17  17.113   4.925   3.190
  166    HB3  LYS  17           HB1      LYS  17  18.015   4.994   4.750
  167    HG2  LYS  17           HG2      LYS  17  20.162   4.628   3.512
  168    HG3  LYS  17           HG1      LYS  17  19.248   4.581   1.965
  169    HD2  LYS  17           HD2      LYS  17  18.467   6.929   2.349
  170    HD3  LYS  17           HD1      LYS  17  19.360   6.978   3.909
  171    HE2  LYS  17           HE2      LYS  17  21.531   6.664   2.683
  172    HE3  LYS  17           HE1      LYS  17  20.631   6.603   1.111
  173    HZ1  LYS  17           HZ1      LYS  17  20.344   8.784   1.126
  174    HZ2  LYS  17           HZ2      LYS  17  21.631   8.809   2.233
  175    HZ3  LYS  17           HZ3      LYS  17  20.029   8.881   2.791
  Start of MODEL   20
    1    H1   GLU   1           HT1      GLU   1   8.148  -7.917  -4.099
    2    H2   GLU   1           HT2      GLU   1   7.255  -7.837  -5.542
    3    H3   GLU   1           HT3      GLU   1   7.216  -9.247  -4.597
    4    HA   GLU   1           HA       GLU   1   5.384  -8.472  -3.713
    5    HB2  GLU   1           HB2      GLU   1   7.103  -7.988  -1.915
    6    HB3  GLU   1           HB1      GLU   1   7.256  -6.318  -2.567
    7    HG2  GLU   1           HG2      GLU   1   4.850  -5.859  -2.027
    8    HG3  GLU   1           HG1      GLU   1   4.662  -7.546  -1.404
    9    H    MET   2           HN       MET   2   7.294  -5.667  -4.998
   10    HA   MET   2           HA       MET   2   4.791  -4.705  -6.183
   11    HB2  MET   2           HB2      MET   2   6.496  -3.165  -4.222
   12    HB3  MET   2           HB1      MET   2   6.050  -2.297  -5.747
   13    HG2  MET   2           HG2      MET   2   4.135  -1.749  -4.709
   14    HG3  MET   2           HG1      MET   2   3.618  -3.435  -5.010
   15    HE1  MET   2           HE1      MET   2   6.061  -1.473  -2.594
   16    HE2  MET   2           HE2      MET   2   5.053  -1.425  -1.108
   17    HE3  MET   2           HE3      MET   2   4.454  -0.669  -2.624
   18    H    ARG   3           HN       ARG   3   5.220  -2.904  -7.421
   19    HA   ARG   3           HA       ARG   3   7.311  -3.453  -9.250
   20    HB2  ARG   3           HB2      ARG   3   4.461  -2.718  -9.336
   21    HB3  ARG   3           HB1      ARG   3   5.447  -1.663 -10.383
   22    HG2  ARG   3           HG2      ARG   3   6.313  -3.422 -11.587
   23    HG3  ARG   3           HG1      ARG   3   5.729  -4.652 -10.393
   24    HD2  ARG   3           HD2      ARG   3   3.377  -4.181 -11.005
   25    HD3  ARG   3           HD1      ARG   3   3.910  -2.838 -12.109
   26    HE   ARG   3           HE       ARG   3   5.281  -5.188 -12.951
   27   HH11  ARG   3          HH11      ARG   3   1.951  -3.975 -12.600
   28   HH12  ARG   3          HH12      ARG   3   1.310  -4.900 -13.915
   29   HH21  ARG   3          HH21      ARG   3   4.410  -6.448 -14.741
   30   HH22  ARG   3          HH22      ARG   3   2.732  -6.332 -15.152
   31    H    ILE   4           HN       ILE   4   6.830  -0.995 -10.437
   32    HA   ILE   4           HA       ILE   4   8.683   0.562  -9.931
   33    HB   ILE   4           HB       ILE   4   6.852   2.446 -10.203
   34   HG12  ILE   4          HG12      ILE   4   4.831   1.564 -11.258
   35   HG13  ILE   4          HG11      ILE   4   5.468  -0.109 -11.211
   36   HG21  ILE   4          HG21      ILE   4   7.015   1.951 -12.694
   37   HG22  ILE   4          HG22      ILE   4   7.757   0.356 -12.288
   38   HG23  ILE   4          HG23      ILE   4   8.612   1.886 -11.855
   39   HD11  ILE   4          HD11      ILE   4   5.010   1.501  -8.630
   40   HD12  ILE   4          HD12      ILE   4   5.165  -0.295  -8.794
   41   HD13  ILE   4          HD13      ILE   4   3.684   0.554  -9.398
   42    H    SER   5           HN       SER   5   6.344  -0.016  -7.625
   43    HA   SER   5           HA       SER   5   6.206   2.319  -6.234
   44    HB2  SER   5           HB2      SER   5   6.207  -0.536  -5.374
   45    HB3  SER   5           HB1      SER   5   5.717   0.827  -4.282
   46    HG   SER   5           HG       SER   5   3.944   1.171  -5.491
   47    H    ARG   6           HN       ARG   6   8.191  -0.390  -6.384
   48    HA   ARG   6           HA       ARG   6   9.700  -0.001  -4.064
   49    HB2  ARG   6           HB2      ARG   6  10.831  -1.938  -4.888
   50    HB3  ARG   6           HB1      ARG   6   9.098  -2.108  -5.404
   51    HG2  ARG   6           HG2      ARG   6   9.789  -0.808  -7.500
   52    HG3  ARG   6           HG1      ARG   6  11.488  -1.282  -7.056
   53    HD2  ARG   6           HD2      ARG   6   9.131  -3.212  -7.273
   54    HD3  ARG   6           HD1      ARG   6  10.339  -2.912  -8.606
   55    HE   ARG   6           HE       ARG   6  11.714  -3.529  -6.127
   56   HH11  ARG   6          HH11      ARG   6   9.712  -4.996  -8.684
   57   HH12  ARG   6          HH12      ARG   6  10.409  -6.575  -8.541
   58   HH21  ARG   6          HH21      ARG   6  12.662  -5.682  -5.931
   59   HH22  ARG   6          HH22      ARG   6  12.113  -6.971  -6.948
   60    H    ILE   7           HN       ILE   7   9.441   1.202  -7.216
   61    HA   ILE   7           HA       ILE   7  12.162   1.900  -7.315
   62    HB   ILE   7           HB       ILE   7   9.911   2.048  -9.234
   63   HG12  ILE   7          HG12      ILE   7  12.546   0.599  -9.547
   64   HG13  ILE   7          HG11      ILE   7  11.400   0.036  -8.285
   65   HG21  ILE   7          HG21      ILE   7  11.695   2.828 -10.896
   66   HG22  ILE   7          HG22      ILE   7  12.796   3.104  -9.493
   67   HG23  ILE   7          HG23      ILE   7  11.267   4.052  -9.640
   68   HD11  ILE   7          HD11      ILE   7  10.209   0.528 -11.004
   69   HD12  ILE   7          HD12      ILE   7   9.874  -0.766  -9.782
   70   HD13  ILE   7          HD13      ILE   7  11.332  -0.883 -10.859
   71    H    ILE   8           HN       ILE   8   9.184   3.074  -6.509
   72    HA   ILE   8           HA       ILE   8   9.995   5.828  -6.787
   73    HB   ILE   8           HB       ILE   8   7.990   4.719  -4.883
   74   HG12  ILE   8          HG12      ILE   8   7.354   3.607  -6.765
   75   HG13  ILE   8          HG11      ILE   8   6.282   5.049  -6.804
   76   HG21  ILE   8          HG21      ILE   8   7.230   6.927  -4.699
   77   HG22  ILE   8          HG22      ILE   8   7.475   7.271  -6.454
   78   HG23  ILE   8          HG23      ILE   8   8.880   7.314  -5.320
   79   HD11  ILE   8          HD11      ILE   8   7.980   6.110  -8.428
   80   HD12  ILE   8          HD12      ILE   8   7.126   4.646  -9.061
   81   HD13  ILE   8          HD13      ILE   8   8.824   4.509  -8.459
   82    H    LEU   9           HN       LEU   9   9.667   3.330  -4.653
   83    HA   LEU   9           HA       LEU   9  10.475   4.428  -2.330
   84    HB2  LEU   9           HB2      LEU   9  10.179   1.974  -3.739
   85    HB3  LEU   9           HB1      LEU   9  11.444   1.897  -2.471
   86    HG   LEU   9           HG       LEU   9   8.694   2.962  -1.778
   87   HD11  LEU   9          HD11      LEU   9   9.452   0.001  -2.171
   88   HD12  LEU   9          HD12      LEU   9   8.118   0.908  -2.969
   89   HD13  LEU   9          HD13      LEU   9   8.028   0.546  -1.205
   90   HD21  LEU   9          HD21      LEU   9   9.482   2.737   0.351
   91   HD22  LEU   9          HD22      LEU   9  11.108   2.521  -0.426
   92   HD23  LEU   9          HD23      LEU   9  10.117   1.076   0.034
   93    H    ASP  10           HN       ASP  10  12.109   3.311  -5.076
   94    HA   ASP  10           HA       ASP  10  14.502   3.333  -3.628
   95    HB2  ASP  10           HB2      ASP  10  13.463   3.149  -6.356
   96    HB3  ASP  10           HB1      ASP  10  15.138   3.792  -6.266
   97    H    PHE  11           HN       PHE  11  12.430   5.551  -5.335
   98    HA   PHE  11           HA       PHE  11  14.485   7.548  -5.445
   99    HB2  PHE  11           HB2      PHE  11  11.552   7.507  -6.089
  100    HB3  PHE  11           HB1      PHE  11  12.678   8.883  -6.532
  101    HD1  PHE  11           HD1      PHE  11  11.243   7.539  -8.651
  102    HD2  PHE  11           HD2      PHE  11  14.816   6.402  -6.694
  103    HE1  PHE  11           HE1      PHE  11  11.839   6.036 -10.440
  104    HE2  PHE  11           HE2      PHE  11  15.342   4.951  -8.279
  105    HZ   PHE  11           HZ       PHE  11  13.937   4.717 -10.354
  106    H    LEU  12           HN       LEU  12  12.601   6.226  -3.304
  107    HA   LEU  12           HA       LEU  12  11.966   8.628  -2.040
  108    HB2  LEU  12           HB2      LEU  12  11.512   5.759  -1.680
  109    HB3  LEU  12           HB1      LEU  12  11.088   6.917  -0.349
  110    HG   LEU  12           HG       LEU  12  10.243   7.100  -3.189
  111   HD11  LEU  12          HD11      LEU  12   8.009   6.426  -1.512
  112   HD12  LEU  12          HD12      LEU  12   9.384   5.307  -1.137
  113   HD13  LEU  12          HD13      LEU  12   8.789   5.456  -2.828
  114   HD21  LEU  12          HD21      LEU  12   8.396   8.522  -1.648
  115   HD22  LEU  12          HD22      LEU  12   9.779   9.210  -2.592
  116   HD23  LEU  12          HD23      LEU  12   9.983   8.835  -0.837
  117    H    PHE  13           HN       PHE  13  13.897   5.770  -1.836
  118    HA   PHE  13           HA       PHE  13  15.306   7.022   0.431
  119    HB2  PHE  13           HB2      PHE  13  14.615   4.102   0.134
  120    HB3  PHE  13           HB1      PHE  13  15.299   4.901   1.622
  121    HD1  PHE  13           HD1      PHE  13  12.725   4.048  -0.423
  122    HD2  PHE  13           HD2      PHE  13  13.665   6.434   2.871
  123    HE1  PHE  13           HE1      PHE  13  10.557   4.349  -0.152
  124    HE2  PHE  13           HE2      PHE  13  11.278   6.725   3.296
  125    HZ   PHE  13           HZ       PHE  13   9.620   5.650   1.796
  126    H    DLE  14           HN       DLE  14  15.218   4.953  -2.432
  127    HA   DLE  14           HA       DLE  14  18.074   4.734  -2.124
  128    HB2  DLE  14           HB2      DLE  14  18.285   3.976  -4.428
  129    HB3  DLE  14           HB1      DLE  14  16.503   4.243  -4.623
  130    HG   DLE  14           HG       DLE  14  16.927   6.523  -3.720
  131   HD11  DLE  14          HD11      DLE  14  19.742   6.435  -4.719
  132   HD12  DLE  14          HD12      DLE  14  19.395   5.470  -3.213
  133   HD13  DLE  14          HD13      DLE  14  19.025   7.245  -3.267
  134   HD21  DLE  14          HD21      DLE  14  16.707   7.255  -5.842
  135   HD22  DLE  14          HD22      DLE  14  16.739   5.497  -6.246
  136   HD23  DLE  14          HD23      DLE  14  18.253   6.485  -6.388
  137    H    ARG  15           HN       ARG  15  15.666   3.434  -1.137
  138    HA   ARG  15           HA       ARG  15  15.451   1.484  -0.303
  139    HB2  ARG  15           HB2      ARG  15  15.818   0.874  -3.238
  140    HB3  ARG  15           HB1      ARG  15  15.252  -0.389  -2.070
  141    HG2  ARG  15           HG2      ARG  15  13.932   2.340  -1.956
  142    HG3  ARG  15           HG1      ARG  15  13.527   1.273  -3.366
  143    HD2  ARG  15           HD2      ARG  15  13.596   0.054  -0.560
  144    HD3  ARG  15           HD1      ARG  15  12.160   1.044  -1.054
  145    HE   ARG  15           HE       ARG  15  12.631  -0.667  -3.220
  146   HH11  ARG  15          HH11      ARG  15  12.012  -0.977   0.276
  147   HH12  ARG  15          HH12      ARG  15  11.222  -2.513   0.163
  148   HH21  ARG  15          HH21      ARG  15  11.557  -2.774  -3.372
  149   HH22  ARG  15          HH22      ARG  15  10.959  -3.552  -1.945
  150    H    LYS  16           HN       LYS  16  17.810   2.695  -0.370
  151    HA   LYS  16           HA       LYS  16  19.873   0.674  -0.534
  152    HB2  LYS  16           HB2      LYS  16  21.450   2.617  -0.501
  153    HB3  LYS  16           HB1      LYS  16  20.270   2.727  -1.867
  154    HG2  LYS  16           HG2      LYS  16  18.841   4.223  -0.568
  155    HG3  LYS  16           HG1      LYS  16  19.933   4.117   0.853
  156    HD2  LYS  16           HD2      LYS  16  21.677   5.331  -0.274
  157    HD3  LYS  16           HD1      LYS  16  20.911   5.111  -1.887
  158    HE2  LYS  16           HE2      LYS  16  19.024   6.609  -1.249
  159    HE3  LYS  16           HE1      LYS  16  19.694   6.772   0.429
  160    HZ1  LYS  16           HZ1      LYS  16  20.210   8.573  -1.241
  161    HZ2  LYS  16           HZ2      LYS  16  21.280   7.479  -1.977
  162    HZ3  LYS  16           HZ3      LYS  16  21.520   7.946  -0.362
  163    H    LYS  17           HN       LYS  17  17.656   1.892   1.533
  164    HA   LYS  17           HA       LYS  17  19.554   1.841   3.732
  165    HB2  LYS  17           HB2      LYS  17  16.896   3.290   3.918
  166    HB3  LYS  17           HB1      LYS  17  18.406   3.580   4.852
  167    HG2  LYS  17           HG2      LYS  17  19.508   4.498   2.820
  168    HG3  LYS  17           HG1      LYS  17  18.025   4.182   1.855
  169    HD2  LYS  17           HD2      LYS  17  17.964   6.518   2.420
  170    HD3  LYS  17           HD1      LYS  17  16.761   5.721   3.491
  171    HE2  LYS  17           HE2      LYS  17  18.371   5.767   5.395
  172    HE3  LYS  17           HE1      LYS  17  19.647   6.477   4.319
  173    HZ1  LYS  17           HZ1      LYS  17  18.358   8.413   4.051
  174    HZ2  LYS  17           HZ2      LYS  17  18.401   8.072   5.713
  175    HZ3  LYS  17           HZ3      LYS  17  17.001   7.736   4.814